A0A077ZD22_TRITR Loading...

Tau tubulin kinase 2

AlphaFold DB , UniProt , Accession A0A077ZD22, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 341 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
1M34.5Very low74Confident247 Ų24797.2 Ų97.2100%1.21756%0.555SS**  01260-79.1168.2177.700106.1
2G54.2Low75.7Confident77 Ų7792 Ų9279%0.79454%0.538SS*.PPolyproline II helixtrans-66.5144.5173.900000109.6S4G2-S4 PolarHBondContact O-N 3.13Å
3E61.9Low77.3Confident133 Ų13387.2 Ų87.262%0.62151%0.507SS*.PPolyproline II helixtrans-56.4133.4169.2-76.2176.1-179.400109.3F28E3-F28 HydrophobicContact CB-CE1 4Å
4S70.3Confident78.7Confident104 Ų10485.1 Ų85.173%0.72750%0.496SS*.PPolyproline II helixtrans-63.9134.4170.650.40000109G2G2-S4 PolarHBondContact O-N 3.13Å
5P74.7Confident79.9Confident66 Ų6679.5 Ų79.543%0.42946%0.464SS..PPolyproline II helixtrans-59.3137.7178.422.6-31000110.5V9 F28P5-V9 HydrophobicContact CB-CB 3.95Å; P5-V9 HydrophobicContact CB-CG1 3.97Å; P5-F28 HydrophobicContact CB-CB 4.13Å; P5-F28 HydrophobicContact CB-CD1 4.27Å; P5-F28 HydrophobicContact CB-CD2 4.21Å; P5-F28 HydrophobicContact CB-CG 3.97Å
6P80Confident81Confident44 Ų4479.4 Ų79.429%0.28646%0.464SS..PPolyproline II helixtrans-64.3159.1172.425.5-31.2000111I8 V9 F28 A36P6-I8 HydrophobicContact CB-CG2 4.12Å; P6-I8 HydrophobicContact CG-CG2 3.84Å; P6-I8 PolarHBondContact O-N 2.92Å; P6-V9 HydrophobicContact CG-CG2 4.13Å; P6-V9 PolarHBondContact O-N 3.25Å; P6-F28 HydrophobicContact CG-CE2 4.34Å; P6-A36 HydrophobicContact CG-CB 3.84Å
7E81.5Confident81.9Confident195 Ų19575.4 Ų75.491%0.91144%0.444SS*.THydrogen-bonded Turntrans-54.9-27.1-175.3-67.5-173168.200114.4V9E7-V9 PolarHBondContact O-N 2.95Å
8I83.9Confident82.4Confident31 Ų3175.9 Ų75.916%0.15944%0.444CS..THydrogen-bonded Turntrans-63.3-20.1176-164.9175.1000113.4P6 A36 L53 D55 Y94P6-I8 HydrophobicContact CB-CG2 4.12Å; P6-I8 HydrophobicContact CG-CG2 3.84Å; P6-I8 PolarHBondContact O-N 2.92Å; I8-A36 HydrophobicContact CG2-CB 4.06Å; I8-L53 HydrophobicContact CD1-CB 4.19Å; I8-D55 HydrophobicContact CD1-CB 4.29Å; I8-Y94 HydrophobicContact CD1-CD1 4.04Å; I8-Y94 HydrophobicContact CD1-CG 3.93Å; I8-Y94 HydrophobicContact CG1-CD1 3.43Å; I8-Y94 VanDerWaalsContact CG1-CD1 3.43Å; I8-Y94 HydrophobicContact CG1-CE1 4.01Å; I8-Y94 HydrophobicContact CG1-CG 3.83Å
9V86.7Confident82.9Confident15 Ų1582.6 Ų82.69%0.09147%0.47CS..  trans-97.5114-176.7175.40000111P5 P6 E7 I11 F28 A36 V38 L53P5-V9 HydrophobicContact CB-CB 3.95Å; P5-V9 HydrophobicContact CB-CG1 3.97Å; P6-V9 HydrophobicContact CG-CG2 4.13Å; P6-V9 PolarHBondContact O-N 3.25Å; E7-V9 PolarHBondContact O-N 2.95Å; V9-I11 HydrophobicContact CG1-CD1 4Å; V9-F28 HydrophobicContact CG1-CD2 4.49Å; V9-F28 HydrophobicContact CG2-CD2 4.09Å; V9-F28 HydrophobicContact CG2-CE2 4.42Å; V9-A36 HydrophobicContact CG2-CB 3.43Å; V9-A36 VanDerWaalsContact CG2-CB 3.43Å; V9-V38 HydrophobicContact CB-CG1 4.38Å; V9-V38 HydrophobicContact CG1-CG1 3.69Å; V9-V38 HydrophobicContact CG2-CG1 3.78Å; V9-L53 HydrophobicContact CG2-CD1 4.1Å
10V91.2Very high83.5Confident64 Ų6480.7 Ų80.739%0.38847%0.47SS..  trans-113.1110.9173-177.10000109.9E13 V25V10-E13 HydrophobicContact CB-CB 3.89Å; V10-E13 HydrophobicContact CG1-CB 4.05Å; V10-E13 VanDerWaalsContact O-CB 3.23Å; V10-E13 WeakPolarHBondContact O-CB 3.34Å; V10-E13 PolarHBondContact O-N 3.38Å; V10-V25 WeakPolarHBondContact O-CB 3.43Å
11I94.7Very high84.2Confident93 Ų9379 Ų7948%0.47746%0.46SS..THydrogen-bonded Turntrans-67.4134.3176.6-56.7-54.5000110.1V9 E13 V25 K26V9-I11 HydrophobicContact CG1-CD1 4Å; I11-E13 VanDerWaalsContact C-N 3.29Å; I11-V25 HydrophobicContact CD1-CG1 3.98Å; I11-K26 WeakPolarHBondContact CG2-O 3.25Å
12G94.9Very high87.2Confident35 Ų3572.8 Ų72.836%0.36143%0.426SS..THydrogen-bonded Turntrans86.5-9.7-175.600000114.4V25G12-V25 WeakPolarHBondContact CA-O 3.43Å; G12-V25 PolarHBondContact N-O 3.3Å
13E96Very high89.3Confident29 Ų2969.5 Ų69.514%0.13639%0.39CS..PPolyproline II helixtrans-60.6138.3176.7-178167-138.600111.2V10 I11 L15 Q24 V25 K90 R93 Y94V10-E13 HydrophobicContact CB-CB 3.89Å; V10-E13 HydrophobicContact CG1-CB 4.05Å; V10-E13 VanDerWaalsContact O-CB 3.23Å; V10-E13 WeakPolarHBondContact O-CB 3.34Å; V10-E13 PolarHBondContact O-N 3.38Å; I11-E13 VanDerWaalsContact C-N 3.29Å; E13-L15 HydrophobicContact CG-CD2 3.81Å; E13-Q24 WeakPolarHBondContact O-CA 3.37Å; E13-V25 HydrophobicContact CB-CG2 4.38Å; E13-V25 PolarHBondContact O-N 3.31Å; E13-K90 WeakPolarHBondContact OE1-CE 3.29Å; E13-R93 IonicContact OE1-CZ 3.72Å; E13-R93 IonicContact OE1-NH2 3.64Å; E13-R93 PolarHBondContact OE1-NH2 3.42Å; E13-R93 IonicContact OE2-NH2 2.63Å; E13-Y94 PolarHBondContact OE2-OH 2.57Å
14V97Very high91Very high58 Ų5867.2 Ų67.235%0.35238%0.379SS..EExtended strand (participates in β ladder)trans-102116.6176.3-179.80000109.4K22 W23 Q24 M43V14-K22 HydrophobicContact CG1-CB 3.88Å; V14-K22 HydrophobicContact CG1-CD 4.17Å; V14-K22 HydrophobicContact CG1-CG 4.11Å; V14-W23 CarbonylContact C-O 3.6Å; V14-W23 WeakPolarHBondContact CA-O 3.46Å; V14-Q24 HydrophobicContact CG2-CB 4.42Å; V14-Q24 HydrophobicContact CG2-CG 4.28Å; V14-M43 HydrophobicContact CG1-SD 3.92Å; V14-M43 HydrophobicContact CG2-SD 4.01Å
15L97.2Very high92.3Very high1 Ų162.4 Ų62.41%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-97.7137.4176.6-52.8-178.6000109.7E13 K22 W23 V25 L51 L53 K90 Y94 W96E13-L15 HydrophobicContact CG-CD2 3.81Å; L15-K22 CarbonylContact O-C 3.58Å; L15-K22 WeakPolarHBondContact O-CA 3.34Å; L15-W23 HydrophobicContact CB-CB 4.5Å; L15-W23 PolarHBondContact N-O 2.74Å; L15-W23 PolarHBondContact O-N 3.32Å; L15-V25 HydrophobicContact CD1-CG2 4.01Å; L15-V25 HydrophobicContact CG-CG2 4.23Å; L15-L51 HydrophobicContact CD1-CD2 3.74Å; L15-L53 HydrophobicContact CD1-CD2 4.45Å; L15-K90 HydrophobicContact CD2-CB 4.22Å; L15-K90 HydrophobicContact CD2-CD 4.18Å; L15-K90 HydrophobicContact CD2-CG 4.16Å; L15-Y94 HydrophobicContact CD1-CE2 4.22Å; L15-Y94 HydrophobicContact CD2-CE2 4.27Å; L15-Y94 WeakPolarHBondContact CD2-OH 3.32Å; L15-W96 HydrophobicContact CB-CZ2 3.9Å; L15-W96 HydrophobicContact CD1-CD2 4.3Å; L15-W96 HydrophobicContact CD1-CG 4.14Å
16V97Very high93.4Very high79 Ų7964.7 Ų64.748%0.47935%0.349SS..EExtended strand (participates in β ladder)trans-106.1114.8179.9-174.60000107.9T21 K22V16-T21 CarbonylContact C-O 3.59Å; V16-T21 WeakPolarHBondContact CA-O 3.35Å; V16-K22 HydrophobicContact CG2-CG 4.5Å
17G96Very high94.1Very high11 Ų1164.8 Ų64.811%0.11335%0.351CS..  trans-86.8-161.5179.200000112.5G20 T21 D86 R87 W96G17-G20 PolarHBondContact O-N 3.16Å; G17-T21 PolarHBondContact N-O 3.4Å; G17-D86 WeakPolarHBondContact CA-OD2 3.12Å; G17-R87 WeakPolarHBondContact CA-O 3.49Å; G17-W96 VanDerWaalsContact CA-CH2 3.44Å; G17-W96 VanDerWaalsContact CA-CZ2 3.41Å
18L91.3Very high94.7Very high84 Ų8457.6 Ų57.644%0.4432%0.317SS..G310 helixtrans-61.8147.6173.7-58.5-174.2000109.9G20 T21 D86 R87L18-G20 PolarHBondContact O-N 3.23Å; L18-T21 PolarHBondContact O-N 2.92Å; L18-T21 PolarHBondContact O-OG1 2.74Å; L18-D86 PolarHBondContact N-OD1 3.46Å; L18-R87 HydrophobicContact CD1-CG 3.73Å; L18-R87 HydrophobicContact CD2-CG 4.34Å; L18-R87 HydrophobicContact CG-CG 3.93Å; L18-R87 WeakPolarHBondContact CG-O 3.11Å; L18-R87 PolarHBondContact N-O 3.31Å
19E93Very high95.1Very high204 Ų20460.4 Ų60.495%0.95333%0.331SS*.G310 helixtrans60.114.2178.9-53.1-179.5177.400114.8
20G94.9Very high95.1Very high44 Ų4460.6 Ų60.645%0.45434%0.337SS..G310 helixtrans84.98.7177.800000114.8G17 L18 K22G17-G20 PolarHBondContact O-N 3.16Å; L18-G20 PolarHBondContact O-N 3.23Å; G20-K22 PolarHBondContact O-N 3.1Å
21T96.8Very high94.6Very high45 Ų4560.2 Ų60.228%0.27634%0.34SS..  trans-59.3130.2176.6-59.20000110.9V16 G17 L18 N42 D86V16-T21 CarbonylContact C-O 3.59Å; V16-T21 WeakPolarHBondContact CA-O 3.35Å; G17-T21 PolarHBondContact N-O 3.4Å; L18-T21 PolarHBondContact O-N 2.92Å; L18-T21 PolarHBondContact O-OG1 2.74Å; T21-N42 VanDerWaalsContact CG2-ND2 3.26Å; T21-N42 WeakPolarHBondContact CG2-ND2 3.37Å; T21-D86 WeakPolarHBondContact CB-OD2 3.47Å
22K98.1Very high93.3Very high116 Ų11658.1 Ų58.150%0.50434%0.341SS..EExtended strand (participates in β ladder)trans-100.4130.1-178.3-66.2-177.9-178.1179.20111.9V14 L15 V16 G20 M43V14-K22 HydrophobicContact CG1-CB 3.88Å; V14-K22 HydrophobicContact CG1-CD 4.17Å; V14-K22 HydrophobicContact CG1-CG 4.11Å; L15-K22 CarbonylContact O-C 3.58Å; L15-K22 WeakPolarHBondContact O-CA 3.34Å; V16-K22 HydrophobicContact CG2-CG 4.5Å; G20-K22 PolarHBondContact O-N 3.1Å; K22-M43 HydrophobicContact CB-CB 4.17Å; K22-M43 HydrophobicContact CB-CG 4.11Å; K22-M43 HydrophobicContact CB-SD 3.85Å; K22-M43 HydrophobicContact CD-SD 4.46Å; K22-M43 PolarHBondContact O-N 3.11Å
23W98.4Very high92Very high9 Ų960.3 Ų60.33%0.03436%0.356CS..EExtended strand (participates in β ladder)trans-121.1119177.6-66.487.8000110.1V14 L15 A40 T41 N42 A49 L51 Y85 D86 W96 A98V14-W23 CarbonylContact C-O 3.6Å; V14-W23 WeakPolarHBondContact CA-O 3.46Å; L15-W23 HydrophobicContact CB-CB 4.5Å; L15-W23 PolarHBondContact N-O 2.74Å; L15-W23 PolarHBondContact O-N 3.32Å; W23-A40 HydrophobicContact CB-CB 4.26Å; W23-A40 HydrophobicContact CE3-CB 4.34Å; W23-T41 CarbonylContact C-O 3.59Å; W23-T41 WeakPolarHBondContact CA-O 3.39Å; W23-N42 HydrophobicContact CD2-CB 4.2Å; W23-N42 HydrophobicContact CE3-CB 3.86Å; W23-N42 HydrophobicContact CH2-CB 3.76Å; W23-N42 HydrophobicContact CZ2-CB 4.1Å; W23-N42 HydrophobicContact CZ3-CB 3.61Å; W23-A49 HydrophobicContact CE3-CB 4.17Å; W23-A49 HydrophobicContact CH2-CB 3.74Å; W23-A49 HydrophobicContact CZ3-CB 3.32Å; W23-L51 HydrophobicContact CB-CD2 4.28Å; W23-L51 HydrophobicContact CE3-CD1 4.23Å; W23-Y85 HydrophobicContact CH2-CD2 4.32Å; W23-D86 HydrophobicContact CZ2-CB 4.08Å; W23-D86 PolarHBondContact NE1-OD2 3.25Å; W23-W96 AromaticContact CD1-CH2 3.61Å; W23-W96 HydrophobicContact CG-CH2 4.32Å; W23-A98 HydrophobicContact CD2-CB 4.47Å; W23-A98 HydrophobicContact CH2-CB 4.28Å; W23-A98 HydrophobicContact CZ2-CB 4.06Å
24Q98.3Very high90.6Very high84 Ų8462.1 Ų62.139%0.39336%0.364SS..EExtended strand (participates in β ladder)trans-95.4121.1178.2-171.3174.931.800110.8E13 V14 K26 A40 T41 M43E13-Q24 WeakPolarHBondContact O-CA 3.37Å; V14-Q24 HydrophobicContact CG2-CB 4.42Å; V14-Q24 HydrophobicContact CG2-CG 4.28Å; Q24-K26 PolarHBondContact O-N 2.88Å; Q24-A40 CarbonylContact O-C 3.54Å; Q24-A40 WeakPolarHBondContact O-CA 3.29Å; Q24-A40 VanDerWaalsContact O-CB 3.32Å; Q24-A40 WeakPolarHBondContact O-CB 3.4Å; Q24-T41 PolarHBondContact N-O 3Å; Q24-T41 PolarHBondContact O-N 3.32Å; Q24-M43 HydrophobicContact CB-CG 4.13Å; Q24-M43 HydrophobicContact CB-SD 4.3Å
25V97.7Very high89.7Confident4 Ų460.3 Ų60.32%0.02436%0.357CS..EExtended strand (participates in β ladder)trans-65.2123.5177.3179.50000109.7V10 I11 G12 E13 L15 V38V10-V25 WeakPolarHBondContact O-CB 3.43Å; I11-V25 HydrophobicContact CD1-CG1 3.98Å; G12-V25 WeakPolarHBondContact CA-O 3.43Å; G12-V25 PolarHBondContact N-O 3.3Å; E13-V25 HydrophobicContact CB-CG2 4.38Å; E13-V25 PolarHBondContact O-N 3.31Å; L15-V25 HydrophobicContact CD1-CG2 4.01Å; L15-V25 HydrophobicContact CG-CG2 4.23Å; V25-V38 HydrophobicContact CG1-CB 4.1Å; V25-V38 HydrophobicContact CG1-CG1 4.33Å; V25-V38 HydrophobicContact CG1-CG2 4.04Å; V25-V38 HydrophobicContact CG2-CG2 4.39Å
26K96.9Very high89.4Confident114 Ų11460.4 Ų60.450%0.49636%0.357SS..EExtended strand (participates in β ladder)trans-105.3-48.7-173.5-175.1-178.8178.4175.10112.9I11 Q24 V39 E48I11-K26 WeakPolarHBondContact CG2-O 3.25Å; Q24-K26 PolarHBondContact O-N 2.88Å; K26-V39 HydrophobicContact CB-CB 4.47Å; K26-V39 HydrophobicContact CB-CG1 4.43Å; K26-V39 WeakPolarHBondContact CB-O 3.44Å; K26-V39 HydrophobicContact CD-CG1 4.37Å; K26-V39 PolarHBondContact N-O 2.85Å; K26-E48 WeakPolarHBondContact CD-OE1 3.34Å; K26-E48 IonicContact NZ-OE1 3.78Å; K26-E48 PolarHBondContact NZ-OE1 3.44Å
27S95.5Very high89.3Confident46 Ų4658.9 Ų58.932%0.32235%0.348SS..EExtended strand (participates in β ladder)trans-156.4151.1-175.159.60000111.8V38 V39S27-V38 CarbonylContact O-C 3.57Å; S27-V38 VanDerWaalsContact O-CA 3.27Å; S27-V38 WeakPolarHBondContact O-CA 3.27Å; S27-V38 WeakPolarHBondContact O-CB 3.29Å; S27-V39 PolarHBondContact N-O 3.16Å; S27-V39 PolarHBondContact O-N 2.93Å
28F93.9Very high89.3Confident44 Ų4458.3 Ų58.319%0.19334%0.343CS..EExtended strand (participates in β ladder)trans-76.7138.3171.5178.2-118.5000111.1E3 P5 P6 V9 G30 A31 A36 V38E3-F28 HydrophobicContact CB-CE1 4Å; P5-F28 HydrophobicContact CB-CB 4.13Å; P5-F28 HydrophobicContact CB-CD1 4.27Å; P5-F28 HydrophobicContact CB-CD2 4.21Å; P5-F28 HydrophobicContact CB-CG 3.97Å; P6-F28 HydrophobicContact CG-CE2 4.34Å; V9-F28 HydrophobicContact CG1-CD2 4.49Å; V9-F28 HydrophobicContact CG2-CD2 4.09Å; V9-F28 HydrophobicContact CG2-CE2 4.42Å; F28-G30 WeakPolarHBondContact CE2-O 3.1Å; F28-G30 VanDerWaalsContact CZ-CA 3.42Å; F28-A31 HydrophobicContact CE2-CB 4.44Å; F28-A31 HydrophobicContact CZ-CB 3.94Å; F28-A31 VanDerWaalsContact CZ-N 3.26Å; F28-A36 HydrophobicContact CE2-CB 4.03Å; F28-V38 HydrophobicContact CD2-CG1 4.41Å
29L91.1Very high89.6Confident89 Ų8954.8 Ų54.847%0.46632%0.324SS..EExtended strand (participates in β ladder)trans-106.4-37.7175.9-70.3177000112.7V37 V39 A50 L101L29-V37 WeakPolarHBondContact CA-O 3.33Å; L29-V37 HydrophobicContact CB-CB 4.35Å; L29-V37 HydrophobicContact CB-CG1 4.32Å; L29-V37 WeakPolarHBondContact CB-O 3.5Å; L29-V37 HydrophobicContact CD1-CG1 4.02Å; L29-V37 PolarHBondContact N-O 3.15Å; L29-V39 HydrophobicContact CD1-CG2 3.66Å; L29-V39 HydrophobicContact CD2-CG2 3.6Å; L29-V39 HydrophobicContact CG-CG2 3.65Å; L29-A50 HydrophobicContact CD1-CB 4.48Å; L29-L101 HydrophobicContact CD1-CD1 3.68Å
30G86.8Confident89.9Confident20 Ų2045 Ų4521%0.20628%0.279CS..EExtended strand (participates in β ladder)trans170.4160.1179.400000112.6F28 V37F28-G30 WeakPolarHBondContact CE2-O 3.1Å; F28-G30 VanDerWaalsContact CZ-CA 3.42Å; G30-V37 PolarHBondContact N-O 3.3Å; G30-V37 PolarHBondContact O-N 3Å
31A80.7Confident90Very high55 Ų5544.5 Ų44.546%0.45527%0.267SS..EExtended strand (participates in β ladder)trans-100144.7174.400000110.5F28F28-A31 HydrophobicContact CE2-CB 4.44Å; F28-A31 HydrophobicContact CZ-CB 3.94Å; F28-A31 VanDerWaalsContact CZ-N 3.26Å
32G68.1Low90.1Very high49 Ų4943.1 Ų43.151%0.50526%0.258SS..EExtended strand (participates in β ladder)trans-114.6178.5167.500000110.5F34 G35G32-F34 PolarHBondContact O-N 3.41Å; G32-G35 PolarHBondContact N-O 3.05Å; G32-G35 PolarHBondContact O-N 2.68Å
33A66.8Low90.1Very high81 Ų8142.5 Ų42.567%0.66926%0.258SS*.THydrogen-bonded Turntrans-58.6-30.1179.700000113.8
34F67.2Low90Very high68 Ų6851.2 Ų51.230%0.29830%0.296SS..THydrogen-bonded Turntrans-115.29.1-171.6-52.6-66.8000114G32 Q58 V60G32-F34 PolarHBondContact O-N 3.41Å; F34-Q58 PolarHBondContact O-NE2 3.07Å; F34-Q58 PolarHBondContact O-OE1 3.17Å; F34-V60 HydrophobicContact CE1-CB 4.18Å; F34-V60 HydrophobicContact CE1-CG1 4.26Å
35G79.1Confident89.9Confident20 Ų2050.6 Ų50.621%0.20630%0.298CS..EExtended strand (participates in β ladder)trans158.7-146.3-17900000114.8G32 L53G32-G35 PolarHBondContact N-O 3.05Å; G32-G35 PolarHBondContact O-N 2.68Å; G35-L53 WeakPolarHBondContact CA-O 3.33Å
36A90.9Very high89.8Confident2 Ų252.9 Ų52.92%0.01732%0.323CS..EExtended strand (participates in β ladder)trans-138.8152.5-17100000112.1P6 I8 V9 F28 L53P6-A36 HydrophobicContact CG-CB 3.84Å; I8-A36 HydrophobicContact CG2-CB 4.06Å; V9-A36 HydrophobicContact CG2-CB 3.43Å; V9-A36 VanDerWaalsContact CG2-CB 3.43Å; F28-A36 HydrophobicContact CE2-CB 4.03Å; A36-L53 HydrophobicContact CB-CD1 4.47Å; A36-L53 PolarHBondContact N-O 3.23Å; A36-L53 PolarHBondContact O-N 3.19Å
37V93.7Very high89.8Confident47 Ų4752.5 Ų52.529%0.28533%0.326SS..EExtended strand (participates in β ladder)trans-113.3131.1170-170.20000108.8L29 G30 A50 L51 K52L29-V37 WeakPolarHBondContact CA-O 3.33Å; L29-V37 HydrophobicContact CB-CB 4.35Å; L29-V37 HydrophobicContact CB-CG1 4.32Å; L29-V37 WeakPolarHBondContact CB-O 3.5Å; L29-V37 HydrophobicContact CD1-CG1 4.02Å; L29-V37 PolarHBondContact N-O 3.15Å; G30-V37 PolarHBondContact N-O 3.3Å; G30-V37 PolarHBondContact O-N 3Å; V37-A50 HydrophobicContact CG1-CB 4.22Å; V37-L51 CarbonylContact C-O 3.48Å; V37-L51 VanDerWaalsContact CA-O 3.31Å; V37-L51 WeakPolarHBondContact CA-O 3.48Å; V37-K52 HydrophobicContact CG2-CB 4.49Å; V37-K52 HydrophobicContact CG2-CG 4.26Å
38V96.3Very high90Very high0 Ų053.4 Ų53.40%033%0.325CS..EExtended strand (participates in β ladder)trans-128.4156.8179.3-56.60000110.7V9 V25 S27 F28 A50 L51 L53V9-V38 HydrophobicContact CB-CG1 4.38Å; V9-V38 HydrophobicContact CG1-CG1 3.69Å; V9-V38 HydrophobicContact CG2-CG1 3.78Å; V25-V38 HydrophobicContact CG1-CB 4.1Å; V25-V38 HydrophobicContact CG1-CG1 4.33Å; V25-V38 HydrophobicContact CG1-CG2 4.04Å; V25-V38 HydrophobicContact CG2-CG2 4.39Å; S27-V38 CarbonylContact O-C 3.57Å; S27-V38 VanDerWaalsContact O-CA 3.27Å; S27-V38 WeakPolarHBondContact O-CA 3.27Å; S27-V38 WeakPolarHBondContact O-CB 3.29Å; F28-V38 HydrophobicContact CD2-CG1 4.41Å; V38-A50 CarbonylContact O-C 3.59Å; V38-A50 WeakPolarHBondContact O-CA 3.42Å; V38-L51 HydrophobicContact CG2-CB 3.69Å; V38-L51 PolarHBondContact N-O 3.41Å; V38-L51 PolarHBondContact O-N 3.3Å; V38-L53 HydrophobicContact CG1-CD1 4.29Å
39V97.7Very high90.2Very high9 Ų951.3 Ų51.36%0.05532%0.316CS..EExtended strand (participates in β ladder)trans-84.3134.2161.9-177.20000107.9K26 S27 L29 E48 A49 L101K26-V39 HydrophobicContact CB-CB 4.47Å; K26-V39 HydrophobicContact CB-CG1 4.43Å; K26-V39 WeakPolarHBondContact CB-O 3.44Å; K26-V39 HydrophobicContact CD-CG1 4.37Å; K26-V39 PolarHBondContact N-O 2.85Å; S27-V39 PolarHBondContact N-O 3.16Å; S27-V39 PolarHBondContact O-N 2.93Å; L29-V39 HydrophobicContact CD1-CG2 3.66Å; L29-V39 HydrophobicContact CD2-CG2 3.6Å; L29-V39 HydrophobicContact CG-CG2 3.65Å; V39-E48 HydrophobicContact CG1-CB 4.21Å; V39-E48 HydrophobicContact CG1-CG 4.28Å; V39-A49 WeakPolarHBondContact CA-O 3.27Å; V39-L101 HydrophobicContact CG2-CD1 4.39Å; V39-L101 HydrophobicContact CG2-CD2 4.39Å
40A98.3Very high90.4Very high0 Ų047.5 Ų47.50%030%0.297CS..EExtended strand (participates in β ladder)trans-131.6153.4167.100000111.5W23 Q24 E48 A49 L51W23-A40 HydrophobicContact CB-CB 4.26Å; W23-A40 HydrophobicContact CE3-CB 4.34Å; Q24-A40 CarbonylContact O-C 3.54Å; Q24-A40 WeakPolarHBondContact O-CA 3.29Å; Q24-A40 VanDerWaalsContact O-CB 3.32Å; Q24-A40 WeakPolarHBondContact O-CB 3.4Å; A40-E48 CarbonylContact O-C 3.57Å; A40-E48 WeakPolarHBondContact O-CA 3.35Å; A40-A49 PolarHBondContact N-O 3.4Å; A40-A49 PolarHBondContact O-N 3.46Å; A40-L51 HydrophobicContact CB-CD1 3.57Å; A40-L51 HydrophobicContact CB-CD2 3.74Å; A40-L51 HydrophobicContact CB-CG 4.2Å
41T98.4Very high90.9Very high33 Ų3346.5 Ų46.520%0.20229%0.287CS..EExtended strand (participates in β ladder)trans-105128177-57.90000109.7W23 Q24 M43W23-T41 CarbonylContact C-O 3.59Å; W23-T41 WeakPolarHBondContact CA-O 3.39Å; Q24-T41 PolarHBondContact N-O 3Å; Q24-T41 PolarHBondContact O-N 3.32Å; T41-M43 PolarHBondContact O-N 3.06Å
42N98.2Very high91.6Very high16 Ų1645.8 Ų45.89%0.08627%0.274CS..EExtended strand (participates in β ladder)trans-66.1115.5167.4-179.6-62.3000108.7T21 W23 F44 T45 G46 N47T21-N42 VanDerWaalsContact CG2-ND2 3.26Å; T21-N42 WeakPolarHBondContact CG2-ND2 3.37Å; W23-N42 HydrophobicContact CD2-CB 4.2Å; W23-N42 HydrophobicContact CE3-CB 3.86Å; W23-N42 HydrophobicContact CH2-CB 3.76Å; W23-N42 HydrophobicContact CZ2-CB 4.1Å; W23-N42 HydrophobicContact CZ3-CB 3.61Å; N42-F44 PolarHBondContact O-N 3.25Å; N42-F44 WeakPolarHBondContact OD1-CB 3.42Å; N42-F44 PolarHBondContact OD1-N 3.37Å; N42-T45 WeakPolarHBondContact CB-OG1 3.33Å; N42-T45 VanDerWaalsContact CG-OG1 3.23Å; N42-T45 PolarHBondContact O-N 2.88Å; N42-T45 PolarHBondContact OD1-N 3.3Å; N42-T45 PolarHBondContact OD1-OG1 3.14Å; N42-G46 WeakPolarHBondContact O-CA 3.3Å; N42-G46 PolarHBondContact O-N 2.97Å; N42-N47 PolarHBondContact N-O 2.92Å
43M97.9Very high92.8Very high102 Ų10243.6 Ų43.650%0.50225%0.25SS..THydrogen-bonded Turntrans-68.9-17.1-171.6-64-171.275.500113.9V14 K22 Q24 T41V14-M43 HydrophobicContact CG1-SD 3.92Å; V14-M43 HydrophobicContact CG2-SD 4.01Å; K22-M43 HydrophobicContact CB-CB 4.17Å; K22-M43 HydrophobicContact CB-CG 4.11Å; K22-M43 HydrophobicContact CB-SD 3.85Å; K22-M43 HydrophobicContact CD-SD 4.46Å; K22-M43 PolarHBondContact O-N 3.11Å; Q24-M43 HydrophobicContact CB-CG 4.13Å; Q24-M43 HydrophobicContact CB-SD 4.3Å; T41-M43 PolarHBondContact O-N 3.06Å
44F95.8Very high94.1Very high193 Ų19340 Ų4085%0.84622%0.22SC*.THydrogen-bonded Turntrans-88.3-46.4177.5-178.6-103.2000112N42N42-F44 PolarHBondContact O-N 3.25Å; N42-F44 WeakPolarHBondContact OD1-CB 3.42Å; N42-F44 PolarHBondContact OD1-N 3.37Å
45T96.7Very high95.1Very high70 Ų7039.9 Ų39.943%0.42922%0.222SC..THydrogen-bonded Turntrans-93.5-16.6-175.162.50000114N42 N47N42-T45 WeakPolarHBondContact CB-OG1 3.33Å; N42-T45 VanDerWaalsContact CG-OG1 3.23Å; N42-T45 PolarHBondContact O-N 2.88Å; N42-T45 PolarHBondContact OD1-N 3.3Å; N42-T45 PolarHBondContact OD1-OG1 3.14Å; T45-N47 PolarHBondContact O-N 2.97Å; T45-N47 WeakPolarHBondContact OG1-CB 3.39Å; T45-N47 PolarHBondContact OG1-N 2.71Å; T45-N47 PolarHBondContact OG1-ND2 3.39Å
46G96.7Very high95.5Very high52 Ų5239 Ų3954%0.53621%0.213SC..  trans72.3-0.2-171.300000114.5N42N42-G46 WeakPolarHBondContact O-CA 3.3Å; N42-G46 PolarHBondContact O-N 2.97Å
47N97.1Very high95.2Very high106 Ų10644.5 Ų44.557%0.56724%0.242SC*.  trans-75140.7-178.5-69.7-37000112N42 T45N42-N47 PolarHBondContact N-O 2.92Å; T45-N47 PolarHBondContact O-N 2.97Å; T45-N47 WeakPolarHBondContact OG1-CB 3.39Å; T45-N47 PolarHBondContact OG1-N 2.71Å; T45-N47 PolarHBondContact OG1-ND2 3.39Å
48E97.8Very high94.7Very high66 Ų6644 Ų4431%0.30824%0.237SC..EExtended strand (participates in β ladder)trans-89.3145.7175.3-65.9-177146.600112.4K26 V39 A40K26-E48 WeakPolarHBondContact CD-OE1 3.34Å; K26-E48 IonicContact NZ-OE1 3.78Å; K26-E48 PolarHBondContact NZ-OE1 3.44Å; V39-E48 HydrophobicContact CG1-CB 4.21Å; V39-E48 HydrophobicContact CG1-CG 4.28Å; A40-E48 CarbonylContact O-C 3.57Å; A40-E48 WeakPolarHBondContact O-CA 3.35Å
49A98Very high93.9Very high0 Ų053 Ų530%028%0.279CS..EExtended strand (participates in β ladder)trans-136.9158.6173.500000111W23 V39 A40 L51 Y85 A98 M99W23-A49 HydrophobicContact CE3-CB 4.17Å; W23-A49 HydrophobicContact CH2-CB 3.74Å; W23-A49 HydrophobicContact CZ3-CB 3.32Å; V39-A49 WeakPolarHBondContact CA-O 3.27Å; A40-A49 PolarHBondContact N-O 3.4Å; A40-A49 PolarHBondContact O-N 3.46Å; A49-L51 HydrophobicContact CB-CD1 3.99Å; A49-Y85 HydrophobicContact CB-CD2 3.77Å; A49-Y85 HydrophobicContact CB-CE2 4.14Å; A49-A98 HydrophobicContact CB-CB 4.31Å; A49-M99 WeakPolarHBondContact CA-O 3.5Å; A49-M99 WeakPolarHBondContact CB-O 3.23Å
50A97.4Very high93Very high8 Ų856.4 Ų56.47%0.06630%0.299CS..EExtended strand (participates in β ladder)trans-84.5128.416300000108.6L29 V37 V38 A98 M99 L101L29-A50 HydrophobicContact CD1-CB 4.48Å; V37-A50 HydrophobicContact CG1-CB 4.22Å; V38-A50 CarbonylContact O-C 3.59Å; V38-A50 WeakPolarHBondContact O-CA 3.42Å; A50-A98 WeakPolarHBondContact O-CA 3.16Å; A50-M99 HydrophobicContact CB-CG 4.18Å; A50-M99 PolarHBondContact N-O 3.34Å; A50-M99 WeakPolarHBondContact O-CG 3.48Å; A50-M99 PolarHBondContact O-N 3.25Å; A50-L101 HydrophobicContact CB-CD1 3.93Å
51L96.8Very high92.4Very high0 Ų063.3 Ų63.30%033%0.325CS..EExtended strand (participates in β ladder)trans-107.1118.5172-86.563.1000109L15 W23 V37 V38 A40 A49 L53 W96 V97 A98L15-L51 HydrophobicContact CD1-CD2 3.74Å; W23-L51 HydrophobicContact CB-CD2 4.28Å; W23-L51 HydrophobicContact CE3-CD1 4.23Å; V37-L51 CarbonylContact C-O 3.48Å; V37-L51 VanDerWaalsContact CA-O 3.31Å; V37-L51 WeakPolarHBondContact CA-O 3.48Å; V38-L51 HydrophobicContact CG2-CB 3.69Å; V38-L51 PolarHBondContact N-O 3.41Å; V38-L51 PolarHBondContact O-N 3.3Å; A40-L51 HydrophobicContact CB-CD1 3.57Å; A40-L51 HydrophobicContact CB-CD2 3.74Å; A40-L51 HydrophobicContact CB-CG 4.2Å; A49-L51 HydrophobicContact CB-CD1 3.99Å; L51-L53 HydrophobicContact CB-CD2 4.26Å; L51-W96 HydrophobicContact CD2-CD2 4.29Å; L51-W96 HydrophobicContact CD2-CE3 3.84Å; L51-W96 HydrophobicContact CD2-CZ3 4.2Å; L51-W96 HydrophobicContact CG-CE3 4.02Å; L51-W96 HydrophobicContact CG-CZ3 4.43Å; L51-V97 VanDerWaalsContact CA-O 3.26Å; L51-V97 WeakPolarHBondContact CA-O 3.49Å; L51-A98 HydrophobicContact CD1-CB 3.61Å; L51-A98 HydrophobicContact CG-CB 4.01Å
52K94.9Very high91.8Very high39 Ų3962.5 Ų62.517%0.1732%0.321CS..EExtended strand (participates in β ladder)trans-92121.3170.6-171.3176.6-172.2-176.30107.9V37 L63 E66 W96 V97 M99 D165V37-K52 HydrophobicContact CG2-CB 4.49Å; V37-K52 HydrophobicContact CG2-CG 4.26Å; K52-L63 HydrophobicContact CB-CD1 4.25Å; K52-L63 HydrophobicContact CD-CD1 3.96Å; K52-L63 HydrophobicContact CG-CD1 4.01Å; K52-E66 WeakPolarHBondContact CD-OE2 3.12Å; K52-E66 WeakPolarHBondContact CE-OE2 3.49Å; K52-E66 IonicContact NZ-OE1 2.64Å; K52-E66 PolarHBondContact NZ-OE1 3.4Å; K52-E66 IonicContact NZ-OE2 2.66Å; K52-E66 PolarHBondContact NZ-OE2 3Å; K52-W96 VanDerWaalsContact O-CA 3.24Å; K52-W96 WeakPolarHBondContact O-CA 3.35Å; K52-V97 HydrophobicContact CB-CG1 3.9Å; K52-V97 PolarHBondContact N-O 2.84Å; K52-V97 PolarHBondContact O-N 2.82Å; K52-M99 HydrophobicContact CB-CE 4.07Å; K52-M99 HydrophobicContact CD-CE 4.47Å; K52-D165 IonicContact NZ-OD1 3.54Å; K52-D165 PolarHBondContact NZ-OD1 3.21Å
53L94.3Very high91.5Very high3 Ų362.1 Ų62.12%0.01632%0.318CS..EExtended strand (participates in β ladder)trans-101.7139.8-179-46.2-175.6000108.9I8 V9 L15 G35 A36 V38 L51 Y94 N95 W96I8-L53 HydrophobicContact CD1-CB 4.19Å; V9-L53 HydrophobicContact CG2-CD1 4.1Å; L15-L53 HydrophobicContact CD1-CD2 4.45Å; G35-L53 WeakPolarHBondContact CA-O 3.33Å; A36-L53 HydrophobicContact CB-CD1 4.47Å; A36-L53 PolarHBondContact N-O 3.23Å; A36-L53 PolarHBondContact O-N 3.19Å; V38-L53 HydrophobicContact CG1-CD1 4.29Å; L51-L53 HydrophobicContact CB-CD2 4.26Å; L53-Y94 HydrophobicContact CB-CD2 4.35Å; L53-Y94 HydrophobicContact CD1-CE2 4.31Å; L53-Y94 HydrophobicContact CD2-CD2 4.21Å; L53-Y94 HydrophobicContact CD2-CE2 3.89Å; L53-N95 WeakPolarHBondContact CA-O 3.46Å; L53-W96 HydrophobicContact CD2-CB 3.49Å; L53-W96 VanDerWaalsContact CD2-CB 3.49Å; L53-W96 HydrophobicContact CD2-CG 4.43Å
54E92.6Very high91.2Very high7 Ų767.3 Ų67.33%0.03333%0.333CS..EExtended strand (participates in β ladder)trans-132.2120177.8-177.4179.2-104.300109A56 R61 T62 L63 Y94 N95E54-A56 PolarHBondContact O-N 2.76Å; E54-R61 WeakPolarHBondContact OE1-CA 3.5Å; E54-T62 WeakPolarHBondContact OE1-CA 3.36Å; E54-T62 PolarHBondContact OE1-N 3.21Å; E54-T62 PolarHBondContact OE1-OG1 2.71Å; E54-L63 HydrophobicContact CB-CB 3.92Å; E54-L63 HydrophobicContact CB-CD2 3.88Å; E54-L63 HydrophobicContact CB-CG 4.37Å; E54-L63 VanDerWaalsContact CD-CB 3.42Å; E54-L63 HydrophobicContact CG-CB 4.26Å; E54-L63 PolarHBondContact OE1-N 3.02Å; E54-L63 VanDerWaalsContact OE2-CB 3.29Å; E54-L63 WeakPolarHBondContact OE2-CB 3.37Å; E54-L63 PolarHBondContact OE2-N 3.1Å; E54-Y94 CarbonylContact O-C 3.54Å; E54-Y94 VanDerWaalsContact O-CA 3.24Å; E54-Y94 WeakPolarHBondContact O-CA 3.5Å; E54-Y94 WeakPolarHBondContact O-CB 3.44Å; E54-N95 PolarHBondContact N-O 3.46Å; E54-N95 PolarHBondContact O-N 2.78Å
55D89.5Confident91Very high64 Ų6461 Ų6134%0.34231%0.306SS..EExtended strand (participates in β ladder)trans-52.7130.3176-169.7-29.9000110.2I8 N57 Q58I8-D55 HydrophobicContact CD1-CB 4.29Å; D55-N57 PolarHBondContact O-N 3.03Å; D55-N57 WeakPolarHBondContact OD1-CB 3.49Å; D55-N57 PolarHBondContact OD1-N 3.17Å; D55-Q58 HydrophobicContact CB-CB 4.28Å; D55-Q58 HydrophobicContact CB-CG 4.39Å; D55-Q58 VanDerWaalsContact N-NE2 3.11Å; D55-Q58 WeakPolarHBondContact O-CG 3.38Å; D55-Q58 PolarHBondContact O-NE2 2.9Å; D55-Q58 VanDerWaalsContact O-NE2 3.08Å
56A87.4Confident90.9Very high2 Ų257.9 Ų57.92%0.01729%0.286CS..SBendtrans-74.4-15.9-178.900000112.9E54 R61 R93E54-A56 PolarHBondContact O-N 2.76Å; A56-R61 PolarHBondContact O-NE 3.41Å; A56-R61 PolarHBondContact O-NH1 3Å; A56-R61 PolarHBondContact O-NH2 2.89Å; A56-R93 WeakPolarHBondContact CB-O 3.36Å; A56-R93 PolarHBondContact N-O 3.13Å
57N84.4Confident90.8Very high118 Ų11856 Ų5663%0.63126%0.264SS*.SBendtrans-104.5-6.1-175.4-60.1-57.9000113.6D55 D92D55-N57 PolarHBondContact O-N 3.03Å; D55-N57 WeakPolarHBondContact OD1-CB 3.49Å; D55-N57 PolarHBondContact OD1-N 3.17Å; N57-D92 PolarHBondContact ND2-O 3.12Å
58Q82.4Confident90.8Very high35 Ų3554.9 Ų54.916%0.16426%0.255CS..  trans-69.1152.1175.876-169.9-5300112.1F34 D55 V60 R61F34-Q58 PolarHBondContact O-NE2 3.07Å; F34-Q58 PolarHBondContact O-OE1 3.17Å; D55-Q58 HydrophobicContact CB-CB 4.28Å; D55-Q58 HydrophobicContact CB-CG 4.39Å; D55-Q58 VanDerWaalsContact N-NE2 3.11Å; D55-Q58 WeakPolarHBondContact O-CG 3.38Å; D55-Q58 PolarHBondContact O-NE2 2.9Å; D55-Q58 VanDerWaalsContact O-NE2 3.08Å; Q58-V60 WeakPolarHBondContact CG-O 3.42Å; Q58-R61 HydrophobicContact CG-CG 4.19Å; Q58-R61 PolarHBondContact O-NE 3.27Å; Q58-R61 VanDerWaalsContact O-NE 3.16Å
59E79.6Confident90.8Very high191 Ų19151.7 Ų51.789%0.89324%0.241SC*.SBendtrans-68-44.5-176.5-172.5179.7-179.600112.1
60V79.8Confident90.8Very high79 Ų7951.8 Ų51.848%0.47924%0.241SC..  trans-101.1110-178.5-1770000109.9F34 Q58 T62F34-V60 HydrophobicContact CE1-CB 4.18Å; F34-V60 HydrophobicContact CE1-CG1 4.26Å; Q58-V60 WeakPolarHBondContact CG-O 3.42Å; V60-T62 HydrophobicContact CG1-CG2 4.07Å
61R83.9Confident90.7Very high145 Ų14554.5 Ų54.555%0.54726%0.255SS..  trans-111.5120.4178.6-58.1177.2-159.1174.14.4110.2E54 A56 Q58E54-R61 WeakPolarHBondContact OE1-CA 3.5Å; A56-R61 PolarHBondContact O-NE 3.41Å; A56-R61 PolarHBondContact O-NH1 3Å; A56-R61 PolarHBondContact O-NH2 2.89Å; Q58-R61 HydrophobicContact CG-CG 4.19Å; Q58-R61 PolarHBondContact O-NE 3.27Å; Q58-R61 VanDerWaalsContact O-NE 3.16Å
62T87.1Confident90.8Very high17 Ų1757.3 Ų57.310%0.10427%0.268CS..  trans-116.4-19.2-173.764.80000113.5E54 V60 R64 Q65 E66 G167E54-T62 WeakPolarHBondContact OE1-CA 3.36Å; E54-T62 PolarHBondContact OE1-N 3.21Å; E54-T62 PolarHBondContact OE1-OG1 2.71Å; V60-T62 HydrophobicContact CG1-CG2 4.07Å; T62-R64 VanDerWaalsContact C-N 3.26Å; T62-R64 PolarHBondContact O-N 2.95Å; T62-Q65 WeakPolarHBondContact O-CA 3.45Å; T62-Q65 VanDerWaalsContact O-CB 3.31Å; T62-Q65 WeakPolarHBondContact O-CB 3.16Å; T62-Q65 PolarHBondContact O-N 3.03Å; T62-E66 PolarHBondContact O-N 2.87Å; T62-G167 WeakPolarHBondContact CG2-O 3.4Å
63L91.3Very high91Very high7 Ų755.6 Ų55.64%0.03726%0.26CS..Hα-helixtrans-62-35.2-172.1-161.269.4000112.5K52 E54 Q65 E66 V67 N95 V97K52-L63 HydrophobicContact CB-CD1 4.25Å; K52-L63 HydrophobicContact CD-CD1 3.96Å; K52-L63 HydrophobicContact CG-CD1 4.01Å; E54-L63 HydrophobicContact CB-CB 3.92Å; E54-L63 HydrophobicContact CB-CD2 3.88Å; E54-L63 HydrophobicContact CB-CG 4.37Å; E54-L63 VanDerWaalsContact CD-CB 3.42Å; E54-L63 HydrophobicContact CG-CB 4.26Å; E54-L63 PolarHBondContact OE1-N 3.02Å; E54-L63 VanDerWaalsContact OE2-CB 3.29Å; E54-L63 WeakPolarHBondContact OE2-CB 3.37Å; E54-L63 PolarHBondContact OE2-N 3.1Å; L63-Q65 VanDerWaalsContact C-N 3.34Å; L63-Q65 PolarHBondContact O-N 3.18Å; L63-E66 PolarHBondContact O-N 3.16Å; L63-V67 WeakPolarHBondContact O-CG2 3.38Å; L63-V67 PolarHBondContact O-N 3.23Å; L63-N95 HydrophobicContact CD2-CB 3.97Å; L63-V97 HydrophobicContact CD1-CB 4.41Å; L63-V97 HydrophobicContact CD1-CG1 3.58Å; L63-V97 HydrophobicContact CD2-CB 4.39Å; L63-V97 HydrophobicContact CD2-CG1 4.32Å; L63-V97 HydrophobicContact CG-CB 4.44Å; L63-V97 HydrophobicContact CG-CG1 4.12Å
64R92Very high91.1Very high212 Ų21258.7 Ų58.780%0.828%0.276SS*.Hα-helixtrans-60.4-44.2173.5179.1179.9170.2171.5-0.2112T62 E66 V67 E68T62-R64 VanDerWaalsContact C-N 3.26Å; T62-R64 PolarHBondContact O-N 2.95Å; R64-E66 VanDerWaalsContact C-N 3.32Å; R64-V67 PolarHBondContact O-N 3.42Å; R64-E68 PolarHBondContact O-N 3.31Å; R64-E68 VanDerWaalsContact O-N 3.09Å
65Q91.8Very high91.4Very high61 Ų6164.2 Ų64.229%0.28530%0.3SS..Hα-helixtrans-64.7-41.5177.8179.864.35900110.3T62 L63 E68 V69T62-Q65 WeakPolarHBondContact O-CA 3.45Å; T62-Q65 VanDerWaalsContact O-CB 3.31Å; T62-Q65 WeakPolarHBondContact O-CB 3.16Å; T62-Q65 PolarHBondContact O-N 3.03Å; L63-Q65 VanDerWaalsContact C-N 3.34Å; L63-Q65 PolarHBondContact O-N 3.18Å; Q65-E68 PolarHBondContact O-N 3.36Å; Q65-V69 WeakPolarHBondContact O-CG2 3.43Å; Q65-V69 PolarHBondContact O-N 2.85Å
66E93.7Very high91.8Very high4 Ų464 Ų642%0.01931%0.307CS..Hα-helixtrans-62.2-43.6177.6-178.8166.7-16100112.3K52 T62 L63 R64 E68 V69 L70 F166K52-E66 WeakPolarHBondContact CD-OE2 3.12Å; K52-E66 WeakPolarHBondContact CE-OE2 3.49Å; K52-E66 IonicContact NZ-OE1 2.64Å; K52-E66 PolarHBondContact NZ-OE1 3.4Å; K52-E66 IonicContact NZ-OE2 2.66Å; K52-E66 PolarHBondContact NZ-OE2 3Å; T62-E66 PolarHBondContact O-N 2.87Å; L63-E66 PolarHBondContact O-N 3.16Å; R64-E66 VanDerWaalsContact C-N 3.32Å; E66-E68 VanDerWaalsContact C-N 3.35Å; E66-E68 PolarHBondContact O-N 2.86Å; E66-V69 PolarHBondContact O-N 3.1Å; E66-L70 HydrophobicContact CG-CD1 4.17Å; E66-L70 WeakPolarHBondContact O-CB 3.46Å; E66-L70 WeakPolarHBondContact O-CG 3.46Å; E66-L70 PolarHBondContact O-N 3.21Å; E66-F166 HydrophobicContact CB-CB 4.33Å; E66-F166 HydrophobicContact CG-CB 4.15Å; E66-F166 HydrophobicContact CG-CD2 4.23Å
67V95.5Very high92.3Very high12 Ų1270.5 Ų70.57%0.07334%0.341CS..Hα-helixtrans-61.7-41.4174.1171.50000111.8L63 R64 L70 D71 L84 R87 V97L63-V67 WeakPolarHBondContact O-CG2 3.38Å; L63-V67 PolarHBondContact O-N 3.23Å; R64-V67 PolarHBondContact O-N 3.42Å; V67-L70 PolarHBondContact O-N 3.24Å; V67-D71 WeakPolarHBondContact O-CB 3.46Å; V67-D71 PolarHBondContact O-N 3Å; V67-L84 HydrophobicContact CG1-CD2 4.01Å; V67-R87 VanDerWaalsContact CG1-NH1 3.26Å; V67-V97 HydrophobicContact CG2-CB 4.11Å; V67-V97 HydrophobicContact CG2-CG2 3.71Å
68E96.3Very high92.9Very high82 Ų8265.8 Ų65.838%0.38332%0.318SS..Hα-helixtrans-62.5-43176.5-175.7180172.200111.8R64 Q65 E66 D71 E72 Y140R64-E68 PolarHBondContact O-N 3.31Å; R64-E68 VanDerWaalsContact O-N 3.09Å; Q65-E68 PolarHBondContact O-N 3.36Å; E66-E68 VanDerWaalsContact C-N 3.35Å; E66-E68 PolarHBondContact O-N 2.86Å; E68-D71 PolarHBondContact O-N 3.31Å; E68-E72 WeakPolarHBondContact O-CG 3.28Å; E68-E72 PolarHBondContact O-N 2.94Å; E68-E72 VanDerWaalsContact O-N 3.15Å; E68-Y140 PolarHBondContact OE1-OH 2.66Å; E68-Y140 VanDerWaalsContact OE1-OH 3.05Å
69V97.6Very high93.7Very high0 Ų071.2 Ų71.20%034%0.341CS..Hα-helixtrans-66.3-45.1178.9174.30000111.2Q65 E66 D71 E72 L73 L135 Y140 F166 A169Q65-V69 WeakPolarHBondContact O-CG2 3.43Å; Q65-V69 PolarHBondContact O-N 2.85Å; E66-V69 PolarHBondContact O-N 3.1Å; V69-D71 VanDerWaalsContact C-N 3.32Å; V69-D71 PolarHBondContact O-N 3.38Å; V69-E72 PolarHBondContact O-N 3.39Å; V69-L73 HydrophobicContact CG1-CD1 3.92Å; V69-L73 HydrophobicContact CG1-CG 4.46Å; V69-L73 WeakPolarHBondContact O-CG 3.47Å; V69-L73 PolarHBondContact O-N 3.41Å; V69-L135 HydrophobicContact CG1-CD1 3.51Å; V69-Y140 HydrophobicContact CG2-CD1 3.67Å; V69-Y140 HydrophobicContact CG2-CD2 4.32Å; V69-Y140 HydrophobicContact CG2-CE1 3.73Å; V69-Y140 HydrophobicContact CG2-CE2 4.33Å; V69-Y140 HydrophobicContact CG2-CG 4Å; V69-F166 HydrophobicContact CB-CB 4.06Å; V69-F166 HydrophobicContact CB-CD2 4.42Å; V69-F166 HydrophobicContact CB-CG 4.12Å; V69-F166 HydrophobicContact CG1-CB 4.02Å; V69-F166 HydrophobicContact CG1-CD1 3.71Å; V69-F166 HydrophobicContact CG1-CD2 3.99Å; V69-F166 HydrophobicContact CG1-CE1 4.16Å; V69-F166 HydrophobicContact CG1-CE2 4.43Å; V69-F166 HydrophobicContact CG1-CG 3.61Å; V69-F166 HydrophobicContact CG1-CZ 4.5Å; V69-F166 HydrophobicContact CG2-CB 4.33Å; V69-A169 HydrophobicContact CG2-CB 4.03Å
70L97.6Very high94.6Very high2 Ų263.2 Ų63.21%0.0130%0.304CS..Hα-helixtrans-60.4-41.6177.1-76.3171.4000112.1E66 V67 L73 M74 C81 C82 M99 F166E66-L70 HydrophobicContact CG-CD1 4.17Å; E66-L70 WeakPolarHBondContact O-CB 3.46Å; E66-L70 WeakPolarHBondContact O-CG 3.46Å; E66-L70 PolarHBondContact O-N 3.21Å; V67-L70 PolarHBondContact O-N 3.24Å; L70-L73 PolarHBondContact O-N 3.46Å; L70-M74 WeakPolarHBondContact O-CB 3.37Å; L70-M74 VanDerWaalsContact O-CG 3.3Å; L70-M74 WeakPolarHBondContact O-CG 3.46Å; L70-M74 PolarHBondContact O-N 3.12Å; L70-C81 HydrophobicContact CD2-CB 4.4Å; L70-C82 HydrophobicContact CD2-CB 4.29Å; L70-M99 HydrophobicContact CD1-CE 4.4Å; L70-F166 HydrophobicContact CD2-CD2 4.09Å; L70-F166 HydrophobicContact CD2-CE2 3.58Å; L70-F166 HydrophobicContact CG-CD2 4.05Å; L70-F166 HydrophobicContact CG-CE2 4.07Å
71D97.2Very high95.4Very high65 Ų6559.9 Ų59.935%0.34828%0.284SS..Hα-helixtrans-63-43.8178-173.344.6000111.8V67 E68 V69 M74 K75V67-D71 WeakPolarHBondContact O-CB 3.46Å; V67-D71 PolarHBondContact O-N 3Å; E68-D71 PolarHBondContact O-N 3.31Å; V69-D71 VanDerWaalsContact C-N 3.32Å; V69-D71 PolarHBondContact O-N 3.38Å; D71-M74 PolarHBondContact O-N 3.31Å; D71-K75 VanDerWaalsContact O-CG 3.28Å; D71-K75 WeakPolarHBondContact O-CG 3.26Å; D71-K75 PolarHBondContact O-N 3.41Å; D71-K75 IonicContact OD1-NZ 3.73Å; D71-K75 WeakPolarHBondContact OD2-CE 3.41Å; D71-K75 IonicContact OD2-NZ 3.29Å; D71-K75 PolarHBondContact OD2-NZ 3.38Å
72E97.6Very high96Very high58 Ų5853.1 Ų53.127%0.27126%0.259SS..Hα-helixtrans-65.8-40.1176.4-65.9-69.7115.600112.4E68 V69 K75 A76 V138 Y140E68-E72 WeakPolarHBondContact O-CG 3.28Å; E68-E72 PolarHBondContact O-N 2.94Å; E68-E72 VanDerWaalsContact O-N 3.15Å; V69-E72 PolarHBondContact O-N 3.39Å; E72-K75 PolarHBondContact O-N 3.15Å; E72-K75 IonicContact OE1-NZ 3.7Å; E72-K75 PolarHBondContact OE1-NZ 3.02Å; E72-A76 WeakPolarHBondContact O-CB 3.38Å; E72-A76 PolarHBondContact O-N 3.2Å; E72-A76 VanDerWaalsContact O-N 3.08Å; E72-V138 HydrophobicContact CB-CB 4.39Å; E72-Y140 HydrophobicContact CB-CE2 4.45Å; E72-Y140 HydrophobicContact CG-CE2 4.3Å
73L98.4Very high96.5Very high3 Ų358.2 Ų58.22%0.01628%0.28CS..Hα-helixtrans-63.1-42.6174.1-75.9169.7000112V69 L70 A76 N77 A78 C81 E134 L135 V138 F166V69-L73 HydrophobicContact CG1-CD1 3.92Å; V69-L73 HydrophobicContact CG1-CG 4.46Å; V69-L73 WeakPolarHBondContact O-CG 3.47Å; V69-L73 PolarHBondContact O-N 3.41Å; L70-L73 PolarHBondContact O-N 3.46Å; L73-A76 CarbonylContact O-C 3.59Å; L73-A76 PolarHBondContact O-N 3.4Å; L73-N77 PolarHBondContact O-N 3.41Å; L73-A78 HydrophobicContact CB-CB 3.93Å; L73-A78 HydrophobicContact CD2-CB 3.83Å; L73-A78 HydrophobicContact CG-CB 4.49Å; L73-A78 WeakPolarHBondContact O-CB 3.46Å; L73-A78 PolarHBondContact O-N 2.9Å; L73-C81 HydrophobicContact CB-CB 4.26Å; L73-C81 HydrophobicContact CD1-CB 3.86Å; L73-E134 HydrophobicContact CD2-CB 4.35Å; L73-L135 HydrophobicContact CD1-CD1 4.2Å; L73-V138 HydrophobicContact CD2-CG1 4.39Å; L73-V138 HydrophobicContact CD2-CG2 3.7Å; L73-V138 HydrophobicContact CG-CG2 4.07Å; L73-F166 HydrophobicContact CD1-CE1 4.2Å; L73-F166 HydrophobicContact CD1-CE2 4.09Å; L73-F166 HydrophobicContact CD1-CZ 3.68Å
74M97.6Very high96.7Very high69 Ų6959.4 Ų59.434%0.3429%0.286SS..Hα-helixtrans-65.8-43.5177.4-76.6179.561.800112.2L70 D71 A76 N77 L84L70-M74 WeakPolarHBondContact O-CB 3.37Å; L70-M74 VanDerWaalsContact O-CG 3.3Å; L70-M74 WeakPolarHBondContact O-CG 3.46Å; L70-M74 PolarHBondContact O-N 3.12Å; D71-M74 PolarHBondContact O-N 3.31Å; M74-A76 PolarHBondContact O-N 2.97Å; M74-N77 PolarHBondContact O-N 3.22Å; M74-L84 HydrophobicContact CE-CB 4.47Å; M74-L84 HydrophobicContact SD-CB 3.51Å; M74-L84 VanDerWaalsContact SD-CB 3.51Å; M74-L84 PolarHBondContact SD-N 3.17Å
75K97.9Very high96.9Very high123 Ų12354.7 Ų54.754%0.53527%0.269SS..Hα-helixtrans-58.5-34.2173.3-72.8163.9-178.2160.80112.1D71 E72 N77D71-K75 VanDerWaalsContact O-CG 3.28Å; D71-K75 WeakPolarHBondContact O-CG 3.26Å; D71-K75 PolarHBondContact O-N 3.41Å; D71-K75 IonicContact OD1-NZ 3.73Å; D71-K75 WeakPolarHBondContact OD2-CE 3.41Å; D71-K75 IonicContact OD2-NZ 3.29Å; D71-K75 PolarHBondContact OD2-NZ 3.38Å; E72-K75 PolarHBondContact O-N 3.15Å; E72-K75 IonicContact OE1-NZ 3.7Å; E72-K75 PolarHBondContact OE1-NZ 3.02Å; K75-N77 PolarHBondContact O-N 2.96Å
76A98Very high97.2Very high59 Ų5952.4 Ų52.449%0.48826%0.258SS..THydrogen-bonded Turntrans-80.22.6175.400000114.1E72 L73 M74 A78 V138E72-A76 WeakPolarHBondContact O-CB 3.38Å; E72-A76 PolarHBondContact O-N 3.2Å; E72-A76 VanDerWaalsContact O-N 3.08Å; L73-A76 CarbonylContact O-C 3.59Å; L73-A76 PolarHBondContact O-N 3.4Å; M74-A76 PolarHBondContact O-N 2.97Å; A76-A78 PolarHBondContact O-N 2.92Å; A76-V138 HydrophobicContact CB-CG1 3.58Å
77N97.8Very high97.3Very high139 Ų13958 Ų5874%0.74328%0.28SS*.THydrogen-bonded Turntrans5535.7-174.5-62-63.3000113.6L73 M74 K75L73-N77 PolarHBondContact O-N 3.41Å; M74-N77 PolarHBondContact O-N 3.22Å; K75-N77 PolarHBondContact O-N 2.96Å
78A98.3Very high97.3Very high18 Ų1858.4 Ų58.415%0.14929%0.286CS..  trans-57.5138.1176.300000111.3L73 A76 E134L73-A78 HydrophobicContact CB-CB 3.93Å; L73-A78 HydrophobicContact CD2-CB 3.83Å; L73-A78 HydrophobicContact CG-CB 4.49Å; L73-A78 WeakPolarHBondContact O-CB 3.46Å; L73-A78 PolarHBondContact O-N 2.9Å; A76-A78 PolarHBondContact O-N 2.92Å; A78-E134 HydrophobicContact CB-CB 4.25Å; A78-E134 HydrophobicContact CB-CG 4.39Å; A78-E134 WeakPolarHBondContact CB-OE2 3.42Å
79K97.9Very high97.1Very high150 Ų15060.7 Ų60.765%0.65229%0.291SS*.SBendtrans-92.6-26.7-176.6-64174.8-175.6170.70112E134 K160K79-E134 VanDerWaalsContact N-CD 3.31Å; K79-E134 PolarHBondContact N-OE1 3.34Å; K79-E134 PolarHBondContact N-OE2 2.94Å; K79-E134 VanDerWaalsContact N-OE2 3.09Å; K79-K160 WeakPolarHBondContact O-CE 3.29Å; K79-K160 PolarHBondContact O-NZ 3.22Å; K79-K160 VanDerWaalsContact O-NZ 3.12Å
80H98.5Very high96.9Very high23 Ų2363.1 Ų63.111%0.10630%0.301CS..SBendtrans-101.626.7-171.2-59.8-105.6000112.8G127 E130 G131 E134 I161 I162 V163H80-G127 PolarHBondContact CE1-O 3.47Å; H80-G127 PolarHBondContact ND1-O 3.18Å; H80-E130 IonicContact CE1-OE2 2.75Å; H80-E130 PolarHBondContact CE1-OE2 3.24Å; H80-E130 IonicContact NE2-OE2 3.41Å; H80-E130 PolarHBondContact NE2-OE2 2.77Å; H80-G131 VanDerWaalsContact CB-CA 3.49Å; H80-E134 WeakPolarHBondContact CB-OE2 3.1Å; H80-E134 IonicContact CD2-OE1 4Å; H80-E134 IonicContact CD2-OE2 2.87Å; H80-E134 PolarHBondContact CD2-OE2 2.86Å; H80-E134 IonicContact CG-OE2 3.08Å; H80-E134 PolarHBondContact N-OE2 2.98Å; H80-I161 WeakPolarHBondContact CA-O 3.35Å; H80-I161 PolarHBondContact ND1-O 3.26Å; H80-I162 CarbonylContact O-C 3.58Å; H80-I162 WeakPolarHBondContact O-CA 3.39Å; H80-V163 HydrophobicContact CB-CG2 4.37Å; H80-V163 WeakPolarHBondContact O-CG2 3.24Å; H80-V163 PolarHBondContact O-N 3.39Å
81C97.5Very high96.5Very high8 Ų867.8 Ų67.85%0.05433%0.326CS..BIsolated β-bridgetrans-122159.3174.674.10000112.2L70 L73L70-C81 HydrophobicContact CD2-CB 4.4Å; L73-C81 HydrophobicContact CB-CB 4.26Å; L73-C81 HydrophobicContact CD1-CB 3.86Å
82C97.1Very high95.9Very high4 Ų469.9 Ų69.93%0.02734%0.338CS..PPolyproline II helixtrans-62.4146.3166.4-71.60000110L70 M99L70-C82 HydrophobicContact CD2-CB 4.29Å; C82-M99 HydrophobicContact CB-CB 4.1Å; C82-M99 HydrophobicContact CB-CG 4.44Å; C82-M99 HydrophobicContact CB-SD 4.16Å
83K96.2Very high95.5Very high123 Ų12372 Ų7254%0.53534%0.343SS..PPolyproline II helixtrans-80.1134.9164.3-56.6-177.8175.4-175.30108.4Y85 M99 S100K83-Y85 HydrophobicContact CB-CD1 4.24Å; K83-Y85 HydrophobicContact CB-CE1 3.67Å; K83-Y85 HydrophobicContact CD-CE1 4.3Å; K83-M99 CarbonylContact O-C 3.52Å; K83-M99 WeakPolarHBondContact O-CA 3.43Å; K83-M99 WeakPolarHBondContact O-CB 3.36Å; K83-S100 VanDerWaalsContact CB-OG 3.28Å; K83-S100 WeakPolarHBondContact CB-OG 3.48Å; K83-S100 PolarHBondContact N-OG 3.25Å; K83-S100 VanDerWaalsContact N-OG 3.11Å; K83-S100 PolarHBondContact O-N 2.8Å
84L96.2Very high95.2Very high33 Ų3371.9 Ų71.917%0.17334%0.342CS..EExtended strand (participates in β ladder)trans-79.9125.5168.5-178.362.6000108.6V67 M74 V97V67-L84 HydrophobicContact CG1-CD2 4.01Å; M74-L84 HydrophobicContact CE-CB 4.47Å; M74-L84 HydrophobicContact SD-CB 3.51Å; M74-L84 VanDerWaalsContact SD-CB 3.51Å; M74-L84 PolarHBondContact SD-N 3.17Å; L84-V97 HydrophobicContact CD1-CG2 3.09Å
85Y96.3Very high95.1Very high113 Ų11370.6 Ų70.644%0.44334%0.337SS..EExtended strand (participates in β ladder)trans-105.5-42178.9-61.7-35.1000112.3W23 A49 K83 A98 S100W23-Y85 HydrophobicContact CH2-CD2 4.32Å; A49-Y85 HydrophobicContact CB-CD2 3.77Å; A49-Y85 HydrophobicContact CB-CE2 4.14Å; K83-Y85 HydrophobicContact CB-CD1 4.24Å; K83-Y85 HydrophobicContact CB-CE1 3.67Å; K83-Y85 HydrophobicContact CD-CE1 4.3Å; Y85-A98 PolarHBondContact N-O 3.19Å; Y85-S100 PolarHBondContact OH-OG 3.05Å
86D97Very high95Very high12 Ų1264.9 Ų64.96%0.06431%0.312CS..EExtended strand (participates in β ladder)trans-163.3171.8-174.2-155-9.9000110.4G17 L18 T21 W23 W96 V97 A98G17-D86 WeakPolarHBondContact CA-OD2 3.12Å; L18-D86 PolarHBondContact N-OD1 3.46Å; T21-D86 WeakPolarHBondContact CB-OD2 3.47Å; W23-D86 HydrophobicContact CZ2-CB 4.08Å; W23-D86 PolarHBondContact NE1-OD2 3.25Å; D86-W96 HydrophobicContact CB-CH2 4.25Å; D86-W96 HydrophobicContact CB-CZ3 4.09Å; D86-V97 WeakPolarHBondContact O-CG2 3.12Å; D86-A98 HydrophobicContact CB-CB 3.96Å; D86-A98 PolarHBondContact N-O 3.22Å; D86-A98 PolarHBondContact O-N 3.47Å
87R96.5Very high94.9Very high123 Ų12362.1 Ų62.146%0.46429%0.289SS..EExtended strand (participates in β ladder)trans-155.6156.9173.356.4-173.8166.5-176.9-4.2109.8G17 L18 V67 W96 V97G17-R87 WeakPolarHBondContact CA-O 3.49Å; L18-R87 HydrophobicContact CD1-CG 3.73Å; L18-R87 HydrophobicContact CD2-CG 4.34Å; L18-R87 HydrophobicContact CG-CG 3.93Å; L18-R87 WeakPolarHBondContact CG-O 3.11Å; L18-R87 PolarHBondContact N-O 3.31Å; V67-R87 VanDerWaalsContact CG1-NH1 3.26Å; R87-W96 CarbonylContact C-O 3.56Å; R87-W96 VanDerWaalsContact CA-O 3.29Å; R87-W96 WeakPolarHBondContact CA-O 3.31Å; R87-V97 HydrophobicContact CB-CG2 4.46Å
88G95.2Very high94.9Very high19 Ų1955.5 Ų55.520%0.19625%0.253CS..EExtended strand (participates in β ladder)trans-167.1-175.9177.300000112.6W96G88-W96 PolarHBondContact N-O 2.88Å; G88-W96 PolarHBondContact O-N 2.87Å
89R93.8Very high94.8Very high130 Ų13055.4 Ų55.449%0.49125%0.25SS..EExtended strand (participates in β ladder)trans-134132.4175.7-175.1178-176.1-157-1.7108.2D91 D92 Y94 N95R89-D91 WeakPolarHBondContact CD-O 3.43Å; R89-D91 VanDerWaalsContact CG-O 3.26Å; R89-D91 WeakPolarHBondContact CG-O 3.41Å; R89-D91 PolarHBondContact NE-O 2.86Å; R89-D92 IonicContact CZ-OD1 3.82Å; R89-D92 VanDerWaalsContact CZ-OD1 3.29Å; R89-D92 IonicContact NH1-OD1 3Å; R89-D92 IonicContact NH2-OD1 3.35Å; R89-D92 PolarHBondContact NH2-OD1 2.99Å; R89-Y94 WeakPolarHBondContact CA-O 3.38Å; R89-N95 WeakPolarHBondContact CG-OD1 3.2Å
90K93.2Very high94.8Very high52 Ų5249.3 Ų49.323%0.22623%0.226CC..EExtended strand (participates in β ladder)trans-9895.5173.6-177.854.3179.1145.50108.8E13 L15 R93 Y94E13-K90 WeakPolarHBondContact OE1-CE 3.29Å; L15-K90 HydrophobicContact CD2-CB 4.22Å; L15-K90 HydrophobicContact CD2-CD 4.18Å; L15-K90 HydrophobicContact CD2-CG 4.16Å; K90-R93 WeakPolarHBondContact O-CB 3.46Å; K90-R93 PolarHBondContact O-N 3.42Å; K90-Y94 HydrophobicContact CB-CD1 4.31Å; K90-Y94 HydrophobicContact CB-CD2 4.02Å; K90-Y94 HydrophobicContact CB-CE1 3.99Å; K90-Y94 HydrophobicContact CB-CE2 3.65Å; K90-Y94 HydrophobicContact CB-CG 4.33Å; K90-Y94 HydrophobicContact CG-CE1 4Å; K90-Y94 HydrophobicContact CG-CE2 4.37Å; K90-Y94 PolarHBondContact N-O 2.75Å; K90-Y94 PolarHBondContact O-N 2.75Å
91D88.2Confident94.7Very high99 Ų9949.8 Ų49.853%0.52923%0.23SC..THydrogen-bonded Turntrans49.7-138.6-180-48.6-46.9000110.6R89 R93R89-D91 WeakPolarHBondContact CD-O 3.43Å; R89-D91 VanDerWaalsContact CG-O 3.26Å; R89-D91 WeakPolarHBondContact CG-O 3.41Å; R89-D91 PolarHBondContact NE-O 2.86Å; D91-R93 VanDerWaalsContact C-N 3.31Å
92D85.7Confident94.7Very high110 Ų11051.1 Ų51.159%0.58824%0.238SC*.THydrogen-bonded Turntrans-92.415171.3-67.5-45.9000113.5N57 R89N57-D92 PolarHBondContact ND2-O 3.12Å; R89-D92 IonicContact CZ-OD1 3.82Å; R89-D92 VanDerWaalsContact CZ-OD1 3.29Å; R89-D92 IonicContact NH1-OD1 3Å; R89-D92 IonicContact NH2-OD1 3.35Å; R89-D92 PolarHBondContact NH2-OD1 2.99Å
93R89Confident94.7Very high102 Ų10252.2 Ų52.239%0.38525%0.249SC..THydrogen-bonded Turntrans-87.3-54.4-176.1-65.2-167.7-65.7154.55.1112.7E13 A56 K90 D91E13-R93 IonicContact OE1-CZ 3.72Å; E13-R93 IonicContact OE1-NH2 3.64Å; E13-R93 PolarHBondContact OE1-NH2 3.42Å; E13-R93 IonicContact OE2-NH2 2.63Å; A56-R93 WeakPolarHBondContact CB-O 3.36Å; A56-R93 PolarHBondContact N-O 3.13Å; K90-R93 WeakPolarHBondContact O-CB 3.46Å; K90-R93 PolarHBondContact O-N 3.42Å; D91-R93 VanDerWaalsContact C-N 3.31Å
94Y92.5Very high94.6Very high1 Ų150.2 Ų50.20%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-158.2154-175.359.7-99.3000114I8 E13 L15 L53 E54 R89 K90 W96I8-Y94 HydrophobicContact CD1-CD1 4.04Å; I8-Y94 HydrophobicContact CD1-CG 3.93Å; I8-Y94 HydrophobicContact CG1-CD1 3.43Å; I8-Y94 VanDerWaalsContact CG1-CD1 3.43Å; I8-Y94 HydrophobicContact CG1-CE1 4.01Å; I8-Y94 HydrophobicContact CG1-CG 3.83Å; E13-Y94 PolarHBondContact OE2-OH 2.57Å; L15-Y94 HydrophobicContact CD1-CE2 4.22Å; L15-Y94 HydrophobicContact CD2-CE2 4.27Å; L15-Y94 WeakPolarHBondContact CD2-OH 3.32Å; L53-Y94 HydrophobicContact CB-CD2 4.35Å; L53-Y94 HydrophobicContact CD1-CE2 4.31Å; L53-Y94 HydrophobicContact CD2-CD2 4.21Å; L53-Y94 HydrophobicContact CD2-CE2 3.89Å; E54-Y94 CarbonylContact O-C 3.54Å; E54-Y94 VanDerWaalsContact O-CA 3.24Å; E54-Y94 WeakPolarHBondContact O-CA 3.5Å; E54-Y94 WeakPolarHBondContact O-CB 3.44Å; R89-Y94 WeakPolarHBondContact CA-O 3.38Å; K90-Y94 HydrophobicContact CB-CD1 4.31Å; K90-Y94 HydrophobicContact CB-CD2 4.02Å; K90-Y94 HydrophobicContact CB-CE1 3.99Å; K90-Y94 HydrophobicContact CB-CE2 3.65Å; K90-Y94 HydrophobicContact CB-CG 4.33Å; K90-Y94 HydrophobicContact CG-CE1 4Å; K90-Y94 HydrophobicContact CG-CE2 4.37Å; K90-Y94 PolarHBondContact N-O 2.75Å; K90-Y94 PolarHBondContact O-N 2.75Å; Y94-W96 HydrophobicContact CD2-CB 4.41Å; Y94-W96 HydrophobicContact CE2-CB 4.47Å
95N94.3Very high94.6Very high42 Ų4250.2 Ų50.223%0.22525%0.245CC..EExtended strand (participates in β ladder)trans-91.7154.6166.2-58.7-54.3000109.5L53 E54 L63 R89L53-N95 WeakPolarHBondContact CA-O 3.46Å; E54-N95 PolarHBondContact N-O 3.46Å; E54-N95 PolarHBondContact O-N 2.78Å; L63-N95 HydrophobicContact CD2-CB 3.97Å; R89-N95 WeakPolarHBondContact CG-OD1 3.2Å
96W95.4Very high94.7Very high3 Ų344.9 Ų44.91%0.01122%0.223CC..EExtended strand (participates in β ladder)trans-146.6155.2175.663-93.4000112.3L15 G17 W23 L51 K52 L53 D86 R87 G88 Y94 A98L15-W96 HydrophobicContact CB-CZ2 3.9Å; L15-W96 HydrophobicContact CD1-CD2 4.3Å; L15-W96 HydrophobicContact CD1-CG 4.14Å; G17-W96 VanDerWaalsContact CA-CH2 3.44Å; G17-W96 VanDerWaalsContact CA-CZ2 3.41Å; W23-W96 AromaticContact CD1-CH2 3.61Å; W23-W96 HydrophobicContact CG-CH2 4.32Å; L51-W96 HydrophobicContact CD2-CD2 4.29Å; L51-W96 HydrophobicContact CD2-CE3 3.84Å; L51-W96 HydrophobicContact CD2-CZ3 4.2Å; L51-W96 HydrophobicContact CG-CE3 4.02Å; L51-W96 HydrophobicContact CG-CZ3 4.43Å; K52-W96 VanDerWaalsContact O-CA 3.24Å; K52-W96 WeakPolarHBondContact O-CA 3.35Å; L53-W96 HydrophobicContact CD2-CB 3.49Å; L53-W96 VanDerWaalsContact CD2-CB 3.49Å; L53-W96 HydrophobicContact CD2-CG 4.43Å; D86-W96 HydrophobicContact CB-CH2 4.25Å; D86-W96 HydrophobicContact CB-CZ3 4.09Å; R87-W96 CarbonylContact C-O 3.56Å; R87-W96 VanDerWaalsContact CA-O 3.29Å; R87-W96 WeakPolarHBondContact CA-O 3.31Å; G88-W96 PolarHBondContact N-O 2.88Å; G88-W96 PolarHBondContact O-N 2.87Å; Y94-W96 HydrophobicContact CD2-CB 4.41Å; Y94-W96 HydrophobicContact CE2-CB 4.47Å; W96-A98 HydrophobicContact CE3-CB 4.39Å; W96-A98 HydrophobicContact CZ3-CB 3.85Å
97V96.4Very high94.6Very high0 Ų046.5 Ų46.50%023%0.231CC..EExtended strand (participates in β ladder)trans-132.4130.8175670000109.4L51 K52 L63 V67 L84 D86 R87 M99L51-V97 VanDerWaalsContact CA-O 3.26Å; L51-V97 WeakPolarHBondContact CA-O 3.49Å; K52-V97 HydrophobicContact CB-CG1 3.9Å; K52-V97 PolarHBondContact N-O 2.84Å; K52-V97 PolarHBondContact O-N 2.82Å; L63-V97 HydrophobicContact CD1-CB 4.41Å; L63-V97 HydrophobicContact CD1-CG1 3.58Å; L63-V97 HydrophobicContact CD2-CB 4.39Å; L63-V97 HydrophobicContact CD2-CG1 4.32Å; L63-V97 HydrophobicContact CG-CB 4.44Å; L63-V97 HydrophobicContact CG-CG1 4.12Å; V67-V97 HydrophobicContact CG2-CB 4.11Å; V67-V97 HydrophobicContact CG2-CG2 3.71Å; L84-V97 HydrophobicContact CD1-CG2 3.09Å; D86-V97 WeakPolarHBondContact O-CG2 3.12Å; R87-V97 HydrophobicContact CB-CG2 4.46Å; V97-M99 HydrophobicContact CG1-CE 3.54Å
98A97.4Very high94.6Very high0 Ų046 Ų460%023%0.232CC..EExtended strand (participates in β ladder)trans-94.6127.917300000110W23 A49 A50 L51 Y85 D86 W96W23-A98 HydrophobicContact CD2-CB 4.47Å; W23-A98 HydrophobicContact CH2-CB 4.28Å; W23-A98 HydrophobicContact CZ2-CB 4.06Å; A49-A98 HydrophobicContact CB-CB 4.31Å; A50-A98 WeakPolarHBondContact O-CA 3.16Å; L51-A98 HydrophobicContact CD1-CB 3.61Å; L51-A98 HydrophobicContact CG-CB 4.01Å; Y85-A98 PolarHBondContact N-O 3.19Å; D86-A98 HydrophobicContact CB-CB 3.96Å; D86-A98 PolarHBondContact N-O 3.22Å; D86-A98 PolarHBondContact O-N 3.47Å; W96-A98 HydrophobicContact CE3-CB 4.39Å; W96-A98 HydrophobicContact CZ3-CB 3.85Å
99M97.6Very high94.6Very high17 Ų1746.1 Ų46.18%0.08423%0.228CC..EExtended strand (participates in β ladder)trans-138.3167.4-178.265.5178.577.800111.9A49 A50 K52 L70 C82 K83 V97 L101A49-M99 WeakPolarHBondContact CA-O 3.5Å; A49-M99 WeakPolarHBondContact CB-O 3.23Å; A50-M99 HydrophobicContact CB-CG 4.18Å; A50-M99 PolarHBondContact N-O 3.34Å; A50-M99 WeakPolarHBondContact O-CG 3.48Å; A50-M99 PolarHBondContact O-N 3.25Å; K52-M99 HydrophobicContact CB-CE 4.07Å; K52-M99 HydrophobicContact CD-CE 4.47Å; L70-M99 HydrophobicContact CD1-CE 4.4Å; C82-M99 HydrophobicContact CB-CB 4.1Å; C82-M99 HydrophobicContact CB-CG 4.44Å; C82-M99 HydrophobicContact CB-SD 4.16Å; K83-M99 CarbonylContact O-C 3.52Å; K83-M99 WeakPolarHBondContact O-CA 3.43Å; K83-M99 WeakPolarHBondContact O-CB 3.36Å; V97-M99 HydrophobicContact CG1-CE 3.54Å; M99-L101 PolarHBondContact O-N 3.23Å
100S97Very high94.7Very high21 Ų2140.3 Ų40.315%0.14721%0.207CC..PPolyproline II helixtrans-50.9128.1174.9-61.10000111.9K83 Y85 V102K83-S100 VanDerWaalsContact CB-OG 3.28Å; K83-S100 WeakPolarHBondContact CB-OG 3.48Å; K83-S100 PolarHBondContact N-OG 3.25Å; K83-S100 VanDerWaalsContact N-OG 3.11Å; K83-S100 PolarHBondContact O-N 2.8Å; Y85-S100 PolarHBondContact OH-OG 3.05Å; S100-V102 PolarHBondContact O-N 3.2Å
101L96.6Very high94.8Very high34 Ų3443 Ų4318%0.17822%0.224CC..PPolyproline II helixtrans-70.2126.4168.7-173.261.6000109.6L29 V39 A50 M99L29-L101 HydrophobicContact CD1-CD1 3.68Å; V39-L101 HydrophobicContact CG2-CD1 4.39Å; V39-L101 HydrophobicContact CG2-CD2 4.39Å; A50-L101 HydrophobicContact CB-CD1 3.93Å; M99-L101 PolarHBondContact O-N 3.23Å
102V97.1Very high95.1Very high36 Ų3641.4 Ų41.422%0.21822%0.224CC..PPolyproline II helixtrans-104172.8-178.9-63.10000111.4S100 A151 I162 L164S100-V102 PolarHBondContact O-N 3.2Å; V102-A151 HydrophobicContact CB-CB 4.06Å; V102-A151 HydrophobicContact CG2-CB 3.73Å; V102-I162 HydrophobicContact CG1-CB 4.16Å; V102-I162 HydrophobicContact CG1-CG1 3.98Å; V102-I162 HydrophobicContact CG1-CG2 4.02Å; V102-L164 HydrophobicContact CG1-CD2 4.39Å; V102-L164 HydrophobicContact CG2-CD1 4.3Å; V102-L164 HydrophobicContact CG2-CD2 4.22Å
103G96.4Very high95.4Very high26 Ų2640.6 Ų40.627%0.26821%0.213SC..  trans-81.1-158.6171.900000112I152G103-I152 VanDerWaalsContact CA-O 3.3Å; G103-I152 WeakPolarHBondContact CA-O 3.44Å; G103-I152 PolarHBondContact N-O 2.9Å
104E95.6Very high95.5Very high82 Ų8237.8 Ų37.838%0.38322%0.215SC..  trans-64.3148-179-65.3-65.4171.600112.3K108 L109 A151 I152E104-K108 IonicContact OE1-NZ 2.84Å; E104-K108 PolarHBondContact OE1-NZ 3.44Å; E104-K108 WeakPolarHBondContact OE2-CD 3.17Å; E104-K108 WeakPolarHBondContact OE2-CE 3.34Å; E104-K108 IonicContact OE2-NZ 3.71Å; E104-K108 PolarHBondContact OE2-NZ 3.42Å; E104-L109 HydrophobicContact CB-CD2 4Å; E104-L109 HydrophobicContact CB-CG 4.14Å; E104-A151 WeakPolarHBondContact O-CA 3.21Å; E104-A151 WeakPolarHBondContact O-CB 3.23Å; E104-I152 HydrophobicContact CB-CG1 4.49Å; E104-I152 WeakPolarHBondContact O-CG1 3.41Å; E104-I152 PolarHBondContact O-N 3.23Å
105S96.3Very high95.6Very high33 Ų3342.7 Ų42.723%0.23124%0.238CC..BIsolated β-bridgetrans-67.9150.6171.568.70000110.6Q107 K108 L109 F150S105-Q107 PolarHBondContact O-N 3.35Å; S105-K108 PolarHBondContact O-N 3.37Å; S105-K108 VanDerWaalsContact O-N 3.14Å; S105-K108 WeakPolarHBondContact OG-CB 3.21Å; S105-K108 PolarHBondContact OG-N 2.85Å; S105-L109 WeakPolarHBondContact O-CG 3.46Å; S105-L109 PolarHBondContact O-N 2.85Å; S105-L109 VanDerWaalsContact O-N 3.13Å; S105-F150 CarbonylContact C-O 3.52Å; S105-F150 VanDerWaalsContact CA-O 3.28Å; S105-F150 WeakPolarHBondContact CA-O 3.44Å
106V97.9Very high95.8Very high0 Ų040.9 Ų40.90%023%0.228CC..Hα-helixtrans-63.2-31.6176.9-179.20000110.7L109 L110 F116 L124 P147 F150 F221V106-L109 PolarHBondContact O-N 3.46Å; V106-L110 WeakPolarHBondContact O-CB 3.3Å; V106-L110 PolarHBondContact O-N 3.11Å; V106-F116 HydrophobicContact CG1-CE2 4.15Å; V106-F116 HydrophobicContact CG1-CZ 4.37Å; V106-L124 HydrophobicContact CG1-CD1 3.94Å; V106-L124 HydrophobicContact CG1-CD2 4.32Å; V106-L124 HydrophobicContact CG2-CD2 4.01Å; V106-P147 HydrophobicContact CB-CB 4.26Å; V106-P147 WeakPolarHBondContact CB-O 3.19Å; V106-P147 HydrophobicContact CG1-CB 4.23Å; V106-P147 PolarHBondContact N-O 3.17Å; V106-F150 HydrophobicContact CB-CB 4.4Å; V106-F150 HydrophobicContact CG2-CB 3.79Å; V106-F150 PolarHBondContact N-O 3.25Å; V106-F221 HydrophobicContact CG1-CE1 3.7Å; V106-F221 HydrophobicContact CG1-CE2 4.22Å; V106-F221 HydrophobicContact CG1-CZ 3.44Å; V106-F221 VanDerWaalsContact CG1-CZ 3.44Å
107Q95.7Very high95.8Very high47 Ų4743.4 Ų43.422%0.2224%0.244CC..Hα-helixtrans-57.1-51.9171.2-172.464.754.400111.8S105 L109 L110 D111 P147S105-Q107 PolarHBondContact O-N 3.35Å; Q107-L109 VanDerWaalsContact C-N 3.25Å; Q107-L109 PolarHBondContact O-N 3.03Å; Q107-L110 CarbonylContact O-C 3.53Å; Q107-L110 WeakPolarHBondContact O-CA 3.32Å; Q107-L110 WeakPolarHBondContact O-CB 3.34Å; Q107-L110 PolarHBondContact O-N 3.34Å; Q107-D111 PolarHBondContact NE2-OD1 3.5Å; Q107-D111 PolarHBondContact O-N 3.04Å; Q107-P147 HydrophobicContact CB-CB 4Å; Q107-P147 PolarHBondContact N-O 2.95Å; Q107-P147 VanDerWaalsContact N-O 3.16Å
108K94.8Very high95.8Very high111 Ų11145.4 Ų45.448%0.48325%0.254SS..Hα-helixtrans-64.6-33.5-177.9-179.2158.3158.5-1510112.1E104 S105 A112E104-K108 IonicContact OE1-NZ 2.84Å; E104-K108 PolarHBondContact OE1-NZ 3.44Å; E104-K108 WeakPolarHBondContact OE2-CD 3.17Å; E104-K108 WeakPolarHBondContact OE2-CE 3.34Å; E104-K108 IonicContact OE2-NZ 3.71Å; E104-K108 PolarHBondContact OE2-NZ 3.42Å; S105-K108 PolarHBondContact O-N 3.37Å; S105-K108 VanDerWaalsContact O-N 3.14Å; S105-K108 WeakPolarHBondContact OG-CB 3.21Å; S105-K108 PolarHBondContact OG-N 2.85Å; K108-A112 WeakPolarHBondContact O-CB 3.48Å; K108-A112 PolarHBondContact O-N 3.47Å; K108-A112 VanDerWaalsContact O-N 3.17Å
109L96.6Very high95.8Very high23 Ų2345.8 Ų45.812%0.1226%0.258CS..Hα-helixtrans-66.9-40.6172.2-63.2175.6000112E104 S105 V106 Q107 R113 F116 I152 Y321E104-L109 HydrophobicContact CB-CD2 4Å; E104-L109 HydrophobicContact CB-CG 4.14Å; S105-L109 WeakPolarHBondContact O-CG 3.46Å; S105-L109 PolarHBondContact O-N 2.85Å; S105-L109 VanDerWaalsContact O-N 3.13Å; V106-L109 PolarHBondContact O-N 3.46Å; Q107-L109 VanDerWaalsContact C-N 3.25Å; Q107-L109 PolarHBondContact O-N 3.03Å; L109-R113 VanDerWaalsContact O-CG 3.25Å; L109-R113 WeakPolarHBondContact O-CG 3.26Å; L109-R113 PolarHBondContact O-N 3.25Å; L109-F116 HydrophobicContact CB-CE1 3.98Å; L109-F116 HydrophobicContact CB-CZ 3.78Å; L109-I152 HydrophobicContact CD1-CD1 4.07Å; L109-I152 HydrophobicContact CD1-CG1 4.19Å; L109-I152 HydrophobicContact CD1-CG2 3.66Å; L109-Y321 HydrophobicContact CD1-CD1 3.77Å; L109-Y321 HydrophobicContact CD1-CE1 4.17Å; L109-Y321 HydrophobicContact CD1-CG 4.06Å; L109-Y321 HydrophobicContact CD2-CG 4.47Å
110L96Very high95.8Very high7 Ų745 Ų454%0.03725%0.254CS..Hα-helixtrans-66.4-47.5177.4-17964000110.7V106 Q107 A112 R113 G114 F116 E220 F221V106-L110 WeakPolarHBondContact O-CB 3.3Å; V106-L110 PolarHBondContact O-N 3.11Å; Q107-L110 CarbonylContact O-C 3.53Å; Q107-L110 WeakPolarHBondContact O-CA 3.32Å; Q107-L110 WeakPolarHBondContact O-CB 3.34Å; Q107-L110 PolarHBondContact O-N 3.34Å; L110-A112 VanDerWaalsContact C-N 3.25Å; L110-A112 PolarHBondContact O-N 3.12Å; L110-R113 CarbonylContact O-C 3.56Å; L110-R113 PolarHBondContact O-N 3.11Å; L110-G114 WeakPolarHBondContact O-CA 3.42Å; L110-G114 PolarHBondContact O-N 2.93Å; L110-F116 HydrophobicContact CB-CE2 3.93Å; L110-F116 HydrophobicContact CB-CZ 3.9Å; L110-F116 HydrophobicContact CD1-CD2 4.05Å; L110-F116 HydrophobicContact CD1-CE2 3.83Å; L110-F116 HydrophobicContact CD1-CZ 4.36Å; L110-F116 HydrophobicContact CG-CE2 4.46Å; L110-E220 HydrophobicContact CD2-CG 3.95Å; L110-F221 HydrophobicContact CD1-CD1 4.42Å; L110-F221 HydrophobicContact CD2-CD1 4.24Å; L110-F221 HydrophobicContact CD2-CE1 4.35Å
111D94.2Very high95.8Very high110 Ų11044 Ų4459%0.58825%0.247SC*.Hα-helixtrans-57.6-39.5178.2-63.4-18.7000111.7Q107 R113Q107-D111 PolarHBondContact NE2-OD1 3.5Å; Q107-D111 PolarHBondContact O-N 3.04Å; D111-R113 VanDerWaalsContact C-N 3.27Å; D111-R113 PolarHBondContact O-N 3.48Å
112A94.2Very high95.9Very high64 Ų6442.3 Ų42.353%0.52924%0.239SC..Hα-helixtrans-69.3-22.1177.700000113.6K108 L110K108-A112 WeakPolarHBondContact O-CB 3.48Å; K108-A112 PolarHBondContact O-N 3.47Å; K108-A112 VanDerWaalsContact O-N 3.17Å; L110-A112 VanDerWaalsContact C-N 3.25Å; L110-A112 PolarHBondContact O-N 3.12Å
113R92.4Very high95.9Very high94 Ų9443.9 Ų43.936%0.35524%0.241SC..Hα-helixtrans-109.7-25.3-174.4-65.1-68.9-68150.1-2.5113.6L109 L110 D111 Q115 F116 D320L109-R113 VanDerWaalsContact O-CG 3.25Å; L109-R113 WeakPolarHBondContact O-CG 3.26Å; L109-R113 PolarHBondContact O-N 3.25Å; L110-R113 CarbonylContact O-C 3.56Å; L110-R113 PolarHBondContact O-N 3.11Å; D111-R113 VanDerWaalsContact C-N 3.27Å; D111-R113 PolarHBondContact O-N 3.48Å; R113-Q115 WeakPolarHBondContact CB-O 3.49Å; R113-Q115 PolarHBondContact O-N 2.68Å; R113-F116 HydrophobicContact CB-CD1 4.46Å; R113-F116 HydrophobicContact CB-CE1 4.46Å; R113-F116 HydrophobicContact CG-CD1 4.36Å; R113-F116 HydrophobicContact CG-CE1 4.2Å; R113-D320 IonicContact CZ-OD2 3.73Å; R113-D320 IonicContact NE-OD2 2.89Å; R113-D320 PolarHBondContact NE-OD2 2.64Å; R113-D320 VanDerWaalsContact NE-OD2 3.08Å; R113-D320 IonicContact NH2-OD2 2.77Å; R113-D320 PolarHBondContact NH2-OD2 3.33Å
114G92.3Very high96Very high43 Ų4342.7 Ų42.744%0.44323%0.228SC..SBendtrans74.2-39.9-167.700000113.6L110 G224L110-G114 WeakPolarHBondContact O-CA 3.42Å; L110-G114 PolarHBondContact O-N 2.93Å; G114-G224 WeakPolarHBondContact O-CA 3.3Å
115Q94.6Very high96.2Very high103 Ų10338.8 Ų38.848%0.48121%0.21SC..SBendtrans-155.5156.6171.561.1178.479.700109.4R113R113-Q115 WeakPolarHBondContact CB-O 3.49Å; R113-Q115 PolarHBondContact O-N 2.68Å
116F97.2Very high96.3Very high5 Ų538.4 Ų38.42%0.02221%0.205CC..  trans-91.9160.2175.4-64.8-58.5000111.8V106 L109 L110 R113 T120 L124 F221 D320V106-F116 HydrophobicContact CG1-CE2 4.15Å; V106-F116 HydrophobicContact CG1-CZ 4.37Å; L109-F116 HydrophobicContact CB-CE1 3.98Å; L109-F116 HydrophobicContact CB-CZ 3.78Å; L110-F116 HydrophobicContact CB-CE2 3.93Å; L110-F116 HydrophobicContact CB-CZ 3.9Å; L110-F116 HydrophobicContact CD1-CD2 4.05Å; L110-F116 HydrophobicContact CD1-CE2 3.83Å; L110-F116 HydrophobicContact CD1-CZ 4.36Å; L110-F116 HydrophobicContact CG-CE2 4.46Å; R113-F116 HydrophobicContact CB-CD1 4.46Å; R113-F116 HydrophobicContact CB-CE1 4.46Å; R113-F116 HydrophobicContact CG-CD1 4.36Å; R113-F116 HydrophobicContact CG-CE1 4.2Å; F116-T120 HydrophobicContact CB-CG2 3.91Å; F116-T120 HydrophobicContact CD1-CG2 3.69Å; F116-T120 HydrophobicContact CE1-CG2 4.36Å; F116-T120 HydrophobicContact CG-CG2 3.8Å; F116-L124 HydrophobicContact CD2-CD1 3.63Å; F116-L124 HydrophobicContact CE2-CD1 3.44Å; F116-L124 VanDerWaalsContact CE2-CD1 3.44Å; F116-L124 HydrophobicContact CG-CD1 4.24Å; F116-L124 HydrophobicContact CZ-CD1 3.92Å; F116-F221 HydrophobicContact CD2-CB 3.84Å; F116-F221 AromaticContact CD2-CD1 3.99Å; F116-F221 HydrophobicContact CD2-CD1 3.99Å; F116-F221 AromaticContact CD2-CG 3.93Å; F116-F221 HydrophobicContact CD2-CG 3.93Å; F116-F221 AromaticContact CE2-CD1 3.84Å; F116-F221 HydrophobicContact CE2-CD1 3.84Å; F116-F221 HydrophobicContact CE2-CE1 4.25Å; F116-F221 HydrophobicContact CE2-CG 4.17Å; F116-F221 PolarHBondContact N-O 3.25Å; F116-D320 HydrophobicContact CD1-CB 4.23Å
117T96Very high96.3Very high56 Ų5638.7 Ų38.734%0.34421%0.208SC..  trans-62.3159.5161.863.20000110.8G119 T120 S121 D320T117-G119 VanDerWaalsContact C-N 3.28Å; T117-G119 PolarHBondContact O-N 2.63Å; T117-T120 PolarHBondContact O-N 3.44Å; T117-T120 PolarHBondContact OG1-N 3.3Å; T117-T120 PolarHBondContact OG1-OG1 2.85Å; T117-S121 WeakPolarHBondContact O-CB 3.47Å; T117-S121 PolarHBondContact O-N 3.5Å; T117-S121 PolarHBondContact O-OG 3.19Å; T117-D320 WeakPolarHBondContact CB-OD1 3.3Å; T117-D320 VanDerWaalsContact CG2-OD1 3.24Å; T117-D320 WeakPolarHBondContact CG2-OD1 3.23Å; T117-D320 PolarHBondContact N-OD1 3.41Å; T117-D320 PolarHBondContact N-OD2 3.26Å; T117-D320 PolarHBondContact OG1-OD1 3.44Å
118I96.6Very high96.4Very high41 Ų4136.4 Ų36.421%0.2120%0.197CC..Hα-helixtrans-57.5-43.2175.8-57.9-57000110.9T120 S121 L122 T222 P276 V307 I313I118-T120 VanDerWaalsContact C-N 3.34Å; I118-T120 PolarHBondContact O-N 3.04Å; I118-S121 PolarHBondContact O-N 3.22Å; I118-L122 HydrophobicContact CG2-CD1 3.84Å; I118-L122 HydrophobicContact CG2-CG 4.11Å; I118-L122 WeakPolarHBondContact O-CB 3.21Å; I118-L122 VanDerWaalsContact O-CG 3.26Å; I118-L122 WeakPolarHBondContact O-CG 3.39Å; I118-L122 PolarHBondContact O-N 2.84Å; I118-T222 HydrophobicContact CD1-CG2 3.63Å; I118-P276 HydrophobicContact CD1-CG 4.27Å; I118-P276 HydrophobicContact CG2-CG 4.32Å; I118-V307 HydrophobicContact CG2-CG1 3.92Å; I118-I313 HydrophobicContact CB-CD1 3.78Å; I118-I313 HydrophobicContact CG2-CD1 3.49Å; I118-I313 VanDerWaalsContact CG2-CD1 3.49Å
119G96.7Very high96.6Very high8 Ų831.1 Ų31.18%0.08217%0.174CC..Hα-helixtrans-59.1-43.2178.900000113.1T117 W123 Y308T117-G119 VanDerWaalsContact C-N 3.28Å; T117-G119 PolarHBondContact O-N 2.63Å; G119-W123 PolarHBondContact O-N 3.44Å; G119-W123 VanDerWaalsContact O-N 3.11Å; G119-Y308 PolarHBondContact O-OH 2.85Å
120T97.3Very high96.7Very high0 Ų033.8 Ų33.80%019%0.186CC..Hα-helixtrans-69.5-41.4175.2-61.70000112F116 T117 I118 L122 W123 L124 L319 D320 Y321F116-T120 HydrophobicContact CB-CG2 3.91Å; F116-T120 HydrophobicContact CD1-CG2 3.69Å; F116-T120 HydrophobicContact CE1-CG2 4.36Å; F116-T120 HydrophobicContact CG-CG2 3.8Å; T117-T120 PolarHBondContact O-N 3.44Å; T117-T120 PolarHBondContact OG1-N 3.3Å; T117-T120 PolarHBondContact OG1-OG1 2.85Å; I118-T120 VanDerWaalsContact C-N 3.34Å; I118-T120 PolarHBondContact O-N 3.04Å; T120-L122 VanDerWaalsContact C-N 3.34Å; T120-L122 PolarHBondContact O-N 3.23Å; T120-W123 PolarHBondContact O-N 2.63Å; T120-L124 HydrophobicContact CG2-CD1 3.93Å; T120-L124 HydrophobicContact CG2-CG 4.32Å; T120-L124 WeakPolarHBondContact O-CB 3.43Å; T120-L124 WeakPolarHBondContact O-CG 3.37Å; T120-L124 PolarHBondContact O-N 3.22Å; T120-L319 WeakPolarHBondContact OG1-CA 3.45Å; T120-D320 WeakPolarHBondContact CB-OD1 3.45Å; T120-D320 HydrophobicContact CG2-CB 4.21Å; T120-D320 PolarHBondContact OG1-N 2.91Å; T120-D320 PolarHBondContact OG1-OD1 2.86Å; T120-Y321 HydrophobicContact CG2-CD1 4.21Å; T120-Y321 HydrophobicContact CG2-CE1 3.85Å
121S98Very high96.9Very high0 Ų033.6 Ų33.60%019%0.186CC..Hα-helixtrans-59-45.4177.1-58.70000111.5T117 I118 L124 A125 F221T117-S121 WeakPolarHBondContact O-CB 3.47Å; T117-S121 PolarHBondContact O-N 3.5Å; T117-S121 PolarHBondContact O-OG 3.19Å; I118-S121 PolarHBondContact O-N 3.22Å; S121-L124 PolarHBondContact O-N 3.43Å; S121-A125 WeakPolarHBondContact O-CB 3.47Å; S121-A125 PolarHBondContact O-N 2.92Å; S121-F221 PolarHBondContact OG-O 2.95Å
122L98Very high97.1Very high0 Ų028.4 Ų28.40%016%0.158CC..Hα-helixtrans-65.8-41.6177.1-67.3172.7000112.3I118 T120 A125 L126 Y279 L304 V307 Y308I118-L122 HydrophobicContact CG2-CD1 3.84Å; I118-L122 HydrophobicContact CG2-CG 4.11Å; I118-L122 WeakPolarHBondContact O-CB 3.21Å; I118-L122 VanDerWaalsContact O-CG 3.26Å; I118-L122 WeakPolarHBondContact O-CG 3.39Å; I118-L122 PolarHBondContact O-N 2.84Å; T120-L122 VanDerWaalsContact C-N 3.34Å; T120-L122 PolarHBondContact O-N 3.23Å; L122-A125 PolarHBondContact O-N 2.92Å; L122-L126 WeakPolarHBondContact O-CG 3.5Å; L122-L126 PolarHBondContact O-N 3.32Å; L122-Y279 HydrophobicContact CD2-CE1 4.39Å; L122-L304 HydrophobicContact CD2-CB 4.38Å; L122-L304 HydrophobicContact CD2-CD2 3.93Å; L122-V307 HydrophobicContact CD1-CB 3.76Å; L122-V307 HydrophobicContact CD1-CG1 3.69Å; L122-V307 HydrophobicContact CD2-CB 3.82Å; L122-V307 HydrophobicContact CD2-CG1 4.14Å; L122-V307 HydrophobicContact CD2-CG2 4.02Å; L122-V307 HydrophobicContact CG-CB 4.41Å; L122-V307 HydrophobicContact CG-CG1 4.39Å; L122-Y308 HydrophobicContact CB-CD2 4.4Å; L122-Y308 HydrophobicContact CB-CE1 4.31Å; L122-Y308 HydrophobicContact CB-CE2 3.59Å; L122-Y308 WeakPolarHBondContact CB-OH 3.47Å; L122-Y308 HydrophobicContact CD1-CD1 3.99Å; L122-Y308 HydrophobicContact CD1-CD2 3.87Å; L122-Y308 HydrophobicContact CD1-CE1 3.95Å; L122-Y308 HydrophobicContact CD1-CE2 3.84Å; L122-Y308 HydrophobicContact CD1-CG 3.94Å; L122-Y308 HydrophobicContact CG-CE2 4.33Å
123W97.7Very high97.3Very high69 Ų6927 Ų2726%0.26114%0.141SC..Hα-helixtrans-60.8-48.1177.2-176.1-86.3000111.4G119 T120 L126 G127 R159 Y308 L319G119-W123 PolarHBondContact O-N 3.44Å; G119-W123 VanDerWaalsContact O-N 3.11Å; T120-W123 PolarHBondContact O-N 2.63Å; W123-L126 PolarHBondContact O-N 2.86Å; W123-G127 PolarHBondContact O-N 3.34Å; W123-G127 VanDerWaalsContact O-N 3.12Å; W123-R159 HydrophobicContact CH2-CB 4.44Å; W123-R159 HydrophobicContact CZ2-CB 3.54Å; W123-R159 HydrophobicContact CZ2-CG 4.2Å; W123-R159 PolarHBondContact NE1-O 2.89Å; W123-Y308 PolarHBondContact N-OH 2.8Å; W123-L319 HydrophobicContact CB-CD1 4.34Å; W123-L319 HydrophobicContact CB-CD2 3.71Å; W123-L319 VanDerWaalsContact CD1-CD1 3.47Å; W123-L319 HydrophobicContact CD2-CD1 4.09Å; W123-L319 HydrophobicContact CD2-CD2 4.35Å; W123-L319 HydrophobicContact CG-CD1 3.68Å; W123-L319 HydrophobicContact CG-CD2 3.84Å; W123-L319 HydrophobicContact CG-CG 4.45Å
124L98.4Very high97.6Very high0 Ų024.5 Ų24.50%013%0.133CC..Hα-helixtrans-62.8-43.3175.7-68.1172.5000111.1V106 F116 T120 S121 L126 G127 T128 I161 F221 Y321V106-L124 HydrophobicContact CG1-CD1 3.94Å; V106-L124 HydrophobicContact CG1-CD2 4.32Å; V106-L124 HydrophobicContact CG2-CD2 4.01Å; F116-L124 HydrophobicContact CD2-CD1 3.63Å; F116-L124 HydrophobicContact CE2-CD1 3.44Å; F116-L124 VanDerWaalsContact CE2-CD1 3.44Å; F116-L124 HydrophobicContact CG-CD1 4.24Å; F116-L124 HydrophobicContact CZ-CD1 3.92Å; T120-L124 HydrophobicContact CG2-CD1 3.93Å; T120-L124 HydrophobicContact CG2-CG 4.32Å; T120-L124 WeakPolarHBondContact O-CB 3.43Å; T120-L124 WeakPolarHBondContact O-CG 3.37Å; T120-L124 PolarHBondContact O-N 3.22Å; S121-L124 PolarHBondContact O-N 3.43Å; L124-L126 PolarHBondContact O-N 3.38Å; L124-G127 PolarHBondContact O-N 3.31Å; L124-T128 VanDerWaalsContact O-CB 3.32Å; L124-T128 WeakPolarHBondContact O-CB 3.28Å; L124-T128 VanDerWaalsContact O-CG2 3.23Å; L124-T128 WeakPolarHBondContact O-CG2 3.28Å; L124-T128 PolarHBondContact O-N 3.42Å; L124-T128 PolarHBondContact O-OG1 3.24Å; L124-I161 HydrophobicContact CD2-CD1 3.68Å; L124-F221 HydrophobicContact CB-CD2 4.04Å; L124-F221 HydrophobicContact CB-CE2 3.94Å; L124-F221 HydrophobicContact CD1-CD2 4.25Å; L124-F221 HydrophobicContact CD1-CE2 4.32Å; L124-Y321 HydrophobicContact CD2-CE1 4.2Å
125A98.6Very high97.9Very high0 Ų022.5 Ų22.50%011%0.112CC..Hα-helixtrans-57.9-47.1178.400000112S121 L122 T128 L129 W214 I218 L304S121-A125 WeakPolarHBondContact O-CB 3.47Å; S121-A125 PolarHBondContact O-N 2.92Å; L122-A125 PolarHBondContact O-N 2.92Å; A125-T128 PolarHBondContact O-OG1 3.45Å; A125-L129 WeakPolarHBondContact O-CB 3.36Å; A125-L129 PolarHBondContact O-N 2.98Å; A125-W214 HydrophobicContact CB-CZ2 4.07Å; A125-W214 WeakPolarHBondContact O-CZ2 3.47Å; A125-W214 PolarHBondContact O-NE1 3.11Å; A125-I218 HydrophobicContact CB-CB 4.22Å; A125-I218 HydrophobicContact CB-CD1 4.48Å; A125-I218 HydrophobicContact CB-CG2 3.55Å; A125-L304 HydrophobicContact CB-CD1 3.91Å; A125-L304 HydrophobicContact CB-CD2 3.9Å
126L98.5Very high98.1Very high26 Ų2617.6 Ų17.614%0.1369%0.089CC..Hα-helixtrans-60.8-56.5177-70.5170000111.2L122 W123 L124 T128 L129 E130 Y301 L304 L305 Y308L122-L126 WeakPolarHBondContact O-CG 3.5Å; L122-L126 PolarHBondContact O-N 3.32Å; W123-L126 PolarHBondContact O-N 2.86Å; L124-L126 PolarHBondContact O-N 3.38Å; L126-T128 VanDerWaalsContact C-N 3.34Å; L126-T128 PolarHBondContact O-N 2.84Å; L126-L129 PolarHBondContact O-N 3.4Å; L126-E130 VanDerWaalsContact O-CG 3.3Å; L126-E130 WeakPolarHBondContact O-CG 3.19Å; L126-E130 PolarHBondContact O-N 3.33Å; L126-Y301 HydrophobicContact CD2-CD1 3.8Å; L126-L304 HydrophobicContact CD2-CB 4.01Å; L126-L304 HydrophobicContact CD2-CD1 3.85Å; L126-L304 HydrophobicContact CG-CD1 4.28Å; L126-L305 HydrophobicContact CD1-CD2 4.2Å; L126-Y308 HydrophobicContact CD1-CE2 4.02Å
127G98.4Very high98.2Very high5 Ų522.3 Ų22.35%0.05211%0.114CC..Hα-helixtrans-68.8-29.1-173.900000114.5H80 W123 L124 G131H80-G127 PolarHBondContact CE1-O 3.47Å; H80-G127 PolarHBondContact ND1-O 3.18Å; W123-G127 PolarHBondContact O-N 3.34Å; W123-G127 VanDerWaalsContact O-N 3.12Å; L124-G127 PolarHBondContact O-N 3.31Å; G127-G131 PolarHBondContact O-N 2.68Å
128T98.9Very high98.3Very high0 Ų020.8 Ų20.80%011%0.105CC..Hα-helixtrans-75-37.5173.753.70000111.6L124 A125 L126 G131 L132 F150 I161 W214 M217L124-T128 VanDerWaalsContact O-CB 3.32Å; L124-T128 WeakPolarHBondContact O-CB 3.28Å; L124-T128 VanDerWaalsContact O-CG2 3.23Å; L124-T128 WeakPolarHBondContact O-CG2 3.28Å; L124-T128 PolarHBondContact O-N 3.42Å; L124-T128 PolarHBondContact O-OG1 3.24Å; A125-T128 PolarHBondContact O-OG1 3.45Å; L126-T128 VanDerWaalsContact C-N 3.34Å; L126-T128 PolarHBondContact O-N 2.84Å; T128-G131 PolarHBondContact O-N 3.47Å; T128-L132 WeakPolarHBondContact O-CG 3.21Å; T128-L132 PolarHBondContact O-N 3.2Å; T128-F150 HydrophobicContact CG2-CB 4.15Å; T128-F150 HydrophobicContact CG2-CD1 3.53Å; T128-F150 HydrophobicContact CG2-CD2 4.14Å; T128-F150 HydrophobicContact CG2-CE1 3.85Å; T128-F150 HydrophobicContact CG2-CE2 4.47Å; T128-F150 HydrophobicContact CG2-CG 3.67Å; T128-F150 HydrophobicContact CG2-CZ 4.33Å; T128-I161 HydrophobicContact CG2-CG2 3.83Å; T128-W214 PolarHBondContact OG1-NE1 3.38Å; T128-M217 HydrophobicContact CG2-CE 4.04Å
129L98.9Very high98.3Very high0 Ų019 Ų190%010%0.097CC..Hα-helixtrans-67.1-42.4175.6-17462.4000111.7A125 L126 G131 L132 E133 I211 W214 Y297 I300 Y301A125-L129 WeakPolarHBondContact O-CB 3.36Å; A125-L129 PolarHBondContact O-N 2.98Å; L126-L129 PolarHBondContact O-N 3.4Å; L129-G131 VanDerWaalsContact C-N 3.32Å; L129-G131 PolarHBondContact O-N 3.33Å; L129-L132 PolarHBondContact O-N 3.33Å; L129-E133 WeakPolarHBondContact O-CB 3.37Å; L129-E133 PolarHBondContact O-N 3.1Å; L129-I211 HydrophobicContact CD1-CD1 3.78Å; L129-W214 HydrophobicContact CB-CZ2 3.81Å; L129-W214 HydrophobicContact CD1-CD2 4.1Å; L129-W214 HydrophobicContact CD1-CE3 4.3Å; L129-W214 HydrophobicContact CD1-CH2 4.47Å; L129-W214 HydrophobicContact CD1-CZ2 4.24Å; L129-W214 HydrophobicContact CD1-CZ3 4.48Å; L129-W214 HydrophobicContact CD2-CH2 3.98Å; L129-W214 HydrophobicContact CD2-CZ2 3.91Å; L129-W214 HydrophobicContact CG-CZ2 4.22Å; L129-Y297 HydrophobicContact CD1-CD1 3.76Å; L129-Y297 HydrophobicContact CD1-CE1 3.76Å; L129-Y297 HydrophobicContact CD2-CD1 4.47Å; L129-Y297 HydrophobicContact CG-CD1 4.02Å; L129-Y297 HydrophobicContact CG-CE1 4.39Å; L129-I300 HydrophobicContact CD2-CB 3.86Å; L129-I300 HydrophobicContact CD2-CG2 3.38Å; L129-Y301 HydrophobicContact CB-CE1 3.99Å; L129-Y301 HydrophobicContact CD2-CD1 3.79Å; L129-Y301 HydrophobicContact CD2-CE1 3.48Å; L129-Y301 VanDerWaalsContact CD2-CE1 3.48Å; L129-Y301 HydrophobicContact CD2-CG 4.49Å; L129-Y301 HydrophobicContact CG-CE1 3.76Å
130E98.8Very high98.4Very high79 Ų7918.7 Ų18.737%0.3699%0.094SC..Hα-helixtrans-56.4-46.3174-74170.2159.200110.8H80 L126 L132 E133 E134 Y301H80-E130 IonicContact CE1-OE2 2.75Å; H80-E130 PolarHBondContact CE1-OE2 3.24Å; H80-E130 IonicContact NE2-OE2 3.41Å; H80-E130 PolarHBondContact NE2-OE2 2.77Å; L126-E130 VanDerWaalsContact O-CG 3.3Å; L126-E130 WeakPolarHBondContact O-CG 3.19Å; L126-E130 PolarHBondContact O-N 3.33Å; E130-L132 PolarHBondContact O-N 2.68Å; E130-E133 PolarHBondContact O-N 2.79Å; E130-E134 WeakPolarHBondContact O-CG 3.31Å; E130-E134 PolarHBondContact O-N 3.4Å; E130-Y301 VanDerWaalsContact CA-OH 3.32Å; E130-Y301 WeakPolarHBondContact CA-OH 3.26Å; E130-Y301 HydrophobicContact CG-CE1 3.89Å; E130-Y301 PolarHBondContact N-OH 2.64Å
131G98.8Very high98.5Very high3 Ų318.8 Ų18.83%0.0319%0.094CC..Hα-helixtrans-65-37.3177.200000114.3H80 G127 T128 L129 E134 L135H80-G131 VanDerWaalsContact CB-CA 3.49Å; G127-G131 PolarHBondContact O-N 2.68Å; T128-G131 PolarHBondContact O-N 3.47Å; L129-G131 VanDerWaalsContact C-N 3.32Å; L129-G131 PolarHBondContact O-N 3.33Å; G131-E134 PolarHBondContact O-N 3.5Å; G131-L135 PolarHBondContact O-N 3.18Å; G131-L135 VanDerWaalsContact O-N 3.08Å
132L98.9Very high98.5Very high0 Ų018.8 Ų18.80%09%0.094CC..Hα-helixtrans-69-37.4173.6-69.6174.8000112T128 L129 E130 L135 H136 H142 V145 F150 I211 W214T128-L132 WeakPolarHBondContact O-CG 3.21Å; T128-L132 PolarHBondContact O-N 3.2Å; L129-L132 PolarHBondContact O-N 3.33Å; E130-L132 PolarHBondContact O-N 2.68Å; L132-L135 PolarHBondContact O-N 2.87Å; L132-H136 WeakPolarHBondContact O-CB 3.35Å; L132-H136 PolarHBondContact O-CD2 3Å; L132-H136 VanDerWaalsContact O-CG 3.22Å; L132-H136 PolarHBondContact O-N 2.86Å; L132-H142 HydrophobicContact CD2-CB 4.06Å; L132-V145 HydrophobicContact CD1-CG1 4.11Å; L132-V145 HydrophobicContact CD1-CG2 4.23Å; L132-V145 HydrophobicContact CD2-CG2 3.8Å; L132-F150 HydrophobicContact CD1-CZ 4.32Å; L132-F150 HydrophobicContact CD2-CZ 4.27Å; L132-F150 HydrophobicContact CG-CE1 4.47Å; L132-F150 HydrophobicContact CG-CZ 4.22Å; L132-I211 HydrophobicContact CB-CD1 4.37Å; L132-I211 HydrophobicContact CD1-CD1 4.2Å; L132-W214 HydrophobicContact CD1-CB 3.77Å; L132-W214 HydrophobicContact CD1-CG 4.06Å
133E98.8Very high98.4Very high36 Ų3620.4 Ų20.417%0.16810%0.1CC..Hα-helixtrans-64.1-43.9174.1-173.4172.6-16400111.4L129 E130 L135 H136 N137 Y297 Y301L129-E133 WeakPolarHBondContact O-CB 3.37Å; L129-E133 PolarHBondContact O-N 3.1Å; E130-E133 PolarHBondContact O-N 2.79Å; E133-L135 VanDerWaalsContact C-N 3.34Å; E133-L135 PolarHBondContact O-N 2.82Å; E133-H136 PolarHBondContact O-N 3.01Å; E133-N137 WeakPolarHBondContact O-CB 3.36Å; E133-N137 PolarHBondContact O-N 2.8Å; E133-N137 PolarHBondContact O-ND2 3.03Å; E133-Y297 HydrophobicContact CB-CD1 3.88Å; E133-Y297 HydrophobicContact CB-CE1 3.69Å; E133-Y297 HydrophobicContact CB-CE2 4.48Å; E133-Y297 HydrophobicContact CB-CG 4.34Å; E133-Y297 HydrophobicContact CG-CD1 4.06Å; E133-Y297 HydrophobicContact CG-CD2 3.99Å; E133-Y297 HydrophobicContact CG-CE1 4.1Å; E133-Y297 HydrophobicContact CG-CE2 4.04Å; E133-Y297 HydrophobicContact CG-CG 4Å; E133-Y301 WeakPolarHBondContact OE2-CE2 3.21Å; E133-Y301 PolarHBondContact OE2-OH 2.84Å
134E98.8Very high98.3Very high40 Ų4017.7 Ų17.719%0.1879%0.091CC..Hα-helixtrans-55.8-47173.1-74-178.6156.300111.5L73 A78 K79 H80 E130 G131 N137 V138L73-E134 HydrophobicContact CD2-CB 4.35Å; A78-E134 HydrophobicContact CB-CB 4.25Å; A78-E134 HydrophobicContact CB-CG 4.39Å; A78-E134 WeakPolarHBondContact CB-OE2 3.42Å; K79-E134 VanDerWaalsContact N-CD 3.31Å; K79-E134 PolarHBondContact N-OE1 3.34Å; K79-E134 PolarHBondContact N-OE2 2.94Å; K79-E134 VanDerWaalsContact N-OE2 3.09Å; H80-E134 WeakPolarHBondContact CB-OE2 3.1Å; H80-E134 IonicContact CD2-OE1 4Å; H80-E134 IonicContact CD2-OE2 2.87Å; H80-E134 PolarHBondContact CD2-OE2 2.86Å; H80-E134 IonicContact CG-OE2 3.08Å; H80-E134 PolarHBondContact N-OE2 2.98Å; E130-E134 WeakPolarHBondContact O-CG 3.31Å; E130-E134 PolarHBondContact O-N 3.4Å; G131-E134 PolarHBondContact O-N 3.5Å; E134-N137 PolarHBondContact O-N 2.91Å; E134-V138 PolarHBondContact O-N 3.41Å
135L98.8Very high98.3Very high1 Ų117.9 Ų17.91%0.0059%0.092CC..Hα-helixtrans-61.4-44.2175.9-176.767.8000112.6V69 L73 G131 L132 E133 N137 V138 G139 Y140 H142 F166V69-L135 HydrophobicContact CG1-CD1 3.51Å; L73-L135 HydrophobicContact CD1-CD1 4.2Å; G131-L135 PolarHBondContact O-N 3.18Å; G131-L135 VanDerWaalsContact O-N 3.08Å; L132-L135 PolarHBondContact O-N 2.87Å; E133-L135 VanDerWaalsContact C-N 3.34Å; E133-L135 PolarHBondContact O-N 2.82Å; L135-N137 VanDerWaalsContact C-N 3.3Å; L135-N137 PolarHBondContact O-N 3.09Å; L135-V138 HydrophobicContact CD1-CG2 4.49Å; L135-V138 WeakPolarHBondContact O-CG2 3.39Å; L135-V138 PolarHBondContact O-N 2.97Å; L135-G139 PolarHBondContact O-N 3.28Å; L135-Y140 CarbonylContact C-O 3.5Å; L135-Y140 PolarHBondContact O-N 3.24Å; L135-H142 HydrophobicContact CD2-CB 3.67Å; L135-F166 HydrophobicContact CD1-CD1 4.09Å; L135-F166 HydrophobicContact CD1-CE1 3.91Å; L135-F166 HydrophobicContact CD2-CD1 4.36Å; L135-F166 HydrophobicContact CD2-CE1 4.16Å
136H98.7Very high98.2Very high1 Ų120.2 Ų20.21%0.00510%0.102CC..Hα-helixtrans-67.6-33.3179.4-71.7-173.1000111.9L132 E133 V138 G139 Y140 Y172 R207 D210 Y297L132-H136 WeakPolarHBondContact O-CB 3.35Å; L132-H136 PolarHBondContact O-CD2 3Å; L132-H136 VanDerWaalsContact O-CG 3.22Å; L132-H136 PolarHBondContact O-N 2.86Å; E133-H136 PolarHBondContact O-N 3.01Å; H136-V138 VanDerWaalsContact C-N 3.32Å; H136-V138 PolarHBondContact O-N 2.77Å; H136-G139 PolarHBondContact O-N 2.99Å; H136-Y140 WeakPolarHBondContact CA-O 3.32Å; H136-Y140 PolarHBondContact CD2-O 3.42Å; H136-Y172 WeakPolarHBondContact O-CE1 3.17Å; H136-Y172 PolarHBondContact O-OH 3.44Å; H136-R207 HydrophobicContact CB-CG 4.36Å; H136-R207 WeakPolarHBondContact ND1-CB 3.44Å; H136-R207 WeakPolarHBondContact ND1-CG 3.31Å; H136-D210 IonicContact CE1-OD2 3.43Å; H136-D210 IonicContact NE2-OD2 2.9Å; H136-D210 PolarHBondContact NE2-OD2 3.01Å; H136-Y297 PolarHBondContact CE1-OH 3.47Å; H136-Y297 AromaticContact ND1-CZ 3.96Å; H136-Y297 PolarHBondContact ND1-OH 2.91Å
137N98Very high98.2Very high103 Ų10319 Ų1955%0.55110%0.095SC*.Hα-helixtrans-67.4-31177.6-73.1-24.1000112.4E133 E134 L135 G139E133-N137 WeakPolarHBondContact O-CB 3.36Å; E133-N137 PolarHBondContact O-N 2.8Å; E133-N137 PolarHBondContact O-ND2 3.03Å; E134-N137 PolarHBondContact O-N 2.91Å; L135-N137 VanDerWaalsContact C-N 3.3Å; L135-N137 PolarHBondContact O-N 3.09Å; N137-G139 PolarHBondContact O-N 3.13Å
138V97.8Very high98Very high24 Ų2419.9 Ų19.915%0.14511%0.105CC..THydrogen-bonded Turntrans-84.67.5170.9-60.70000113.5E72 L73 A76 E134 L135 H136 Y140E72-V138 HydrophobicContact CB-CB 4.39Å; L73-V138 HydrophobicContact CD2-CG1 4.39Å; L73-V138 HydrophobicContact CD2-CG2 3.7Å; L73-V138 HydrophobicContact CG-CG2 4.07Å; A76-V138 HydrophobicContact CB-CG1 3.58Å; E134-V138 PolarHBondContact O-N 3.41Å; L135-V138 HydrophobicContact CD1-CG2 4.49Å; L135-V138 WeakPolarHBondContact O-CG2 3.39Å; L135-V138 PolarHBondContact O-N 2.97Å; H136-V138 VanDerWaalsContact C-N 3.32Å; H136-V138 PolarHBondContact O-N 2.77Å; V138-Y140 HydrophobicContact CG2-CD2 4.06Å; V138-Y140 WeakPolarHBondContact O-CD2 3.45Å
139G98.1Very high97.9Very high5 Ų520.5 Ų20.55%0.05211%0.108CC..THydrogen-bonded Turntrans86.417.6169.500000115.3L135 H136 N137 K171 Y172L135-G139 PolarHBondContact O-N 3.28Å; H136-G139 PolarHBondContact O-N 2.99Å; N137-G139 PolarHBondContact O-N 3.13Å; G139-K171 CarbonylContact O-C 3.41Å; G139-K171 VanDerWaalsContact O-CA 3.31Å; G139-K171 WeakPolarHBondContact O-CA 3.18Å; G139-K171 WeakPolarHBondContact O-CG 3.11Å; G139-Y172 WeakPolarHBondContact O-CD1 3.3Å; G139-Y172 PolarHBondContact O-N 3.31Å
140Y98.5Very high97.9Very high1 Ų120.5 Ų20.50%0.00411%0.108CC..EExtended strand (participates in β ladder)trans-111.9150177.7-70.8-88.7000112.4E68 V69 E72 L135 H136 V138 R170 K171E68-Y140 PolarHBondContact OE1-OH 2.66Å; E68-Y140 VanDerWaalsContact OE1-OH 3.05Å; V69-Y140 HydrophobicContact CG2-CD1 3.67Å; V69-Y140 HydrophobicContact CG2-CD2 4.32Å; V69-Y140 HydrophobicContact CG2-CE1 3.73Å; V69-Y140 HydrophobicContact CG2-CE2 4.33Å; V69-Y140 HydrophobicContact CG2-CG 4Å; E72-Y140 HydrophobicContact CB-CE2 4.45Å; E72-Y140 HydrophobicContact CG-CE2 4.3Å; L135-Y140 CarbonylContact C-O 3.5Å; L135-Y140 PolarHBondContact O-N 3.24Å; H136-Y140 WeakPolarHBondContact CA-O 3.32Å; H136-Y140 PolarHBondContact CD2-O 3.42Å; V138-Y140 HydrophobicContact CG2-CD2 4.06Å; V138-Y140 WeakPolarHBondContact O-CD2 3.45Å; Y140-R170 CarbonylContact C-O 3.59Å; Y140-R170 WeakPolarHBondContact CA-O 3.23Å; Y140-K171 HydrophobicContact CD1-CB 3.88Å; Y140-K171 HydrophobicContact CD1-CG 4.21Å; Y140-K171 VanDerWaalsContact CD1-N 3.35Å; Y140-K171 HydrophobicContact CE1-CB 3.5Å; Y140-K171 HydrophobicContact CE1-CD 4.17Å; Y140-K171 HydrophobicContact CE1-CG 3.8Å; Y140-K171 HydrophobicContact CE2-CD 4.29Å; Y140-K171 HydrophobicContact CE2-CG 4.19Å; Y140-K171 PolarHBondContact OH-NZ 2.67Å
141L98.5Very high97.9Very high2 Ų216.8 Ų16.81%0.019%0.091CC..EExtended strand (participates in β ladder)trans-99.8149.1164.2-55.5175.5000108.3R143 A169 R170 Y172 Q205 R207 D210L141-R143 HydrophobicContact CB-CG 3.83Å; L141-A169 CarbonylContact O-C 3.23Å; L141-A169 WeakPolarHBondContact O-CA 3.39Å; L141-A169 WeakPolarHBondContact O-CB 3.4Å; L141-R170 PolarHBondContact N-O 3.28Å; L141-R170 PolarHBondContact O-N 3.32Å; L141-Y172 HydrophobicContact CD2-CD1 3.64Å; L141-Y172 HydrophobicContact CD2-CE1 4.21Å; L141-Y172 HydrophobicContact CD2-CG 4.01Å; L141-Y172 HydrophobicContact CG-CD1 3.78Å; L141-Y172 HydrophobicContact CG-CG 4.08Å; L141-Q205 WeakPolarHBondContact CD1-O 3.02Å; L141-R207 HydrophobicContact CD2-CB 4.18Å; L141-R207 HydrophobicContact CD2-CG 3.52Å; L141-D210 WeakPolarHBondContact CA-OD2 3.42Å
142H98.3Very high97.9Very high0 Ų017 Ų170%09%0.092CC..  trans-79.3-49.6174.7-164.2-75.2000111.6L132 L135 D144 V145 L164 D165 M168 D210L132-H142 HydrophobicContact CD2-CB 4.06Å; L135-H142 HydrophobicContact CD2-CB 3.67Å; H142-D144 PolarHBondContact CE1-O 2.75Å; H142-D144 VanDerWaalsContact CE1-O 3.28Å; H142-D144 VanDerWaalsContact ND1-C 3.26Å; H142-D144 PolarHBondContact ND1-N 3.35Å; H142-D144 PolarHBondContact ND1-O 3.47Å; H142-D144 PolarHBondContact O-N 2.92Å; H142-D144 VanDerWaalsContact O-N 3.09Å; H142-V145 HydrophobicContact CB-CG2 3.79Å; H142-L164 PolarHBondContact NE2-O 3.2Å; H142-L164 VanDerWaalsContact NE2-O 3.11Å; H142-D165 PolarHBondContact CE1-O 3.45Å; H142-D165 PolarHBondContact NE2-O 3.13Å; H142-M168 CarbonylContact O-C 3.48Å; H142-D210 PolarHBondContact N-OD2 2.91Å
143R97Very high97.8Very high33 Ų3317.3 Ų17.313%0.12510%0.095CC..SBendtrans65.5-8.4-178.8-55.5-166.9-62.5159.20.9117.5L141 M168 G190 Q205 D210L141-R143 HydrophobicContact CB-CG 3.83Å; R143-M168 HydrophobicContact CB-CB 4.45Å; R143-M168 PolarHBondContact NE-O 3.22Å; R143-M168 PolarHBondContact NH2-O 3.03Å; R143-G190 WeakPolarHBondContact O-CA 3.35Å; R143-Q205 HydrophobicContact CG-CB 4.33Å; R143-Q205 PolarHBondContact O-NE2 3.3Å; R143-D210 WeakPolarHBondContact CA-OD1 3.42Å; R143-D210 PolarHBondContact N-OD1 2.82Å
144D95.5Very high97.6Very high12 Ų1221.1 Ų21.16%0.06411%0.108CC..  trans-13054.3170.2-166.431000112.6H142 K146 N149 M168 G190 T191H142-D144 PolarHBondContact CE1-O 2.75Å; H142-D144 VanDerWaalsContact CE1-O 3.28Å; H142-D144 VanDerWaalsContact ND1-C 3.26Å; H142-D144 PolarHBondContact ND1-N 3.35Å; H142-D144 PolarHBondContact ND1-O 3.47Å; H142-D144 PolarHBondContact O-N 2.92Å; H142-D144 VanDerWaalsContact O-N 3.09Å; D144-K146 PolarHBondContact O-N 2.76Å; D144-K146 IonicContact OD1-NZ 3.27Å; D144-K146 WeakPolarHBondContact OD2-CE 3.11Å; D144-K146 IonicContact OD2-NZ 3.83Å; D144-K146 PolarHBondContact OD2-NZ 3.24Å; D144-N149 PolarHBondContact O-ND2 3.31Å; D144-N149 PolarHBondContact OD2-ND2 3.43Å; D144-N149 VanDerWaalsContact OD2-ND2 3.08Å; D144-M168 HydrophobicContact CB-CB 4.2Å; D144-M168 HydrophobicContact CB-CG 4.3Å; D144-M168 HydrophobicContact CB-SD 3.88Å; D144-G190 VanDerWaalsContact OD1-C 3.27Å; D144-G190 WeakPolarHBondContact OD1-CA 3.5Å; D144-T191 WeakPolarHBondContact OD1-CB 3.18Å; D144-T191 PolarHBondContact OD1-N 3.34Å; D144-T191 PolarHBondContact OD1-OG1 2.93Å
145V98.3Very high97.4Very high4 Ų424.1 Ų24.12%0.02413%0.131CC..  trans-73.4117.5179.5178.90000109.9L132 H142 F150 Y194 D210 A213 W214 M217L132-V145 HydrophobicContact CD1-CG1 4.11Å; L132-V145 HydrophobicContact CD1-CG2 4.23Å; L132-V145 HydrophobicContact CD2-CG2 3.8Å; H142-V145 HydrophobicContact CB-CG2 3.79Å; V145-F150 HydrophobicContact CG1-CE2 3.91Å; V145-F150 HydrophobicContact CG1-CZ 4.06Å; V145-Y194 WeakPolarHBondContact O-CB 3.42Å; V145-D210 HydrophobicContact CG2-CB 3.9Å; V145-A213 HydrophobicContact CB-CB 3.79Å; V145-A213 HydrophobicContact CG1-CB 4.21Å; V145-W214 HydrophobicContact CG1-CB 4.09Å; V145-M217 HydrophobicContact CG1-SD 4.21Å
146K96.5Very high97.2Very high49 Ų4929.9 Ų29.921%0.21317%0.168CC..SBendtrans-160.3161.2178.263.3178.3159.4-151.50110.6D144 G148 N149 F150 T191 Y194 M217D144-K146 PolarHBondContact O-N 2.76Å; D144-K146 IonicContact OD1-NZ 3.27Å; D144-K146 WeakPolarHBondContact OD2-CE 3.11Å; D144-K146 IonicContact OD2-NZ 3.83Å; D144-K146 PolarHBondContact OD2-NZ 3.24Å; K146-G148 PolarHBondContact O-N 3.4Å; K146-G148 VanDerWaalsContact O-N 3.09Å; K146-N149 VanDerWaalsContact CE-ND2 3.32Å; K146-N149 WeakPolarHBondContact CE-ND2 3.32Å; K146-N149 WeakPolarHBondContact CE-OD1 3.47Å; K146-N149 HydrophobicContact CG-CB 4.17Å; K146-N149 PolarHBondContact O-N 2.9Å; K146-F150 WeakPolarHBondContact O-CD2 3.13Å; K146-F150 WeakPolarHBondContact O-CE2 3.32Å; K146-T191 HydrophobicContact CD-CG2 4.25Å; K146-T191 VanDerWaalsContact CD-OG1 3.29Å; K146-T191 WeakPolarHBondContact CD-OG1 3.35Å; K146-T191 PolarHBondContact NZ-OG1 3.12Å; K146-Y194 HydrophobicContact CB-CD2 3.41Å; K146-Y194 VanDerWaalsContact CB-CD2 3.41Å; K146-Y194 HydrophobicContact CB-CE2 3.66Å; K146-Y194 HydrophobicContact CB-CG 4.19Å; K146-M217 VanDerWaalsContact CA-SD 3.52Å
147P97.3Very high97Very high0 Ų034.9 Ų34.90%020%0.195CC..G310 helixtrans-59.3-28.4-177.9-21.732.1000113.3V106 Q107 N149 F150 Y194 M217 F221V106-P147 HydrophobicContact CB-CB 4.26Å; V106-P147 WeakPolarHBondContact CB-O 3.19Å; V106-P147 HydrophobicContact CG1-CB 4.23Å; V106-P147 PolarHBondContact N-O 3.17Å; Q107-P147 HydrophobicContact CB-CB 4Å; Q107-P147 PolarHBondContact N-O 2.95Å; Q107-P147 VanDerWaalsContact N-O 3.16Å; P147-N149 PolarHBondContact O-N 2.89Å; P147-F150 PolarHBondContact O-N 3.33Å; P147-F150 VanDerWaalsContact O-O 3.11Å; P147-Y194 VanDerWaalsContact CD-CE2 3.42Å; P147-Y194 WeakPolarHBondContact CD-OH 3.22Å; P147-Y194 HydrophobicContact CG-CE1 4.21Å; P147-Y194 HydrophobicContact CG-CE2 4.38Å; P147-Y194 WeakPolarHBondContact CG-OH 3.42Å; P147-M217 HydrophobicContact CB-CG 4.47Å; P147-M217 HydrophobicContact CG-CG 3.51Å; P147-M217 HydrophobicContact CG-SD 4.02Å; P147-F221 HydrophobicContact CB-CE1 4Å; P147-F221 HydrophobicContact CB-CZ 4.3Å; P147-F221 HydrophobicContact CG-CE1 3.8Å; P147-F221 HydrophobicContact CG-CZ 4.27Å
148G95.3Very high96.9Very high25 Ų2532.1 Ų32.126%0.25818%0.18SC..G310 helixtrans-66-24.3177.300000114.1K146 F150K146-G148 PolarHBondContact O-N 3.4Å; K146-G148 VanDerWaalsContact O-N 3.09Å; G148-F150 VanDerWaalsContact C-N 3.33Å
149N97Very high96.9Very high12 Ų1233.7 Ų33.76%0.06418%0.183CC..G310 helixtrans-96.715.9-179.9-70.2-6.3000112.4D144 K146 P147 L164D144-N149 PolarHBondContact O-ND2 3.31Å; D144-N149 PolarHBondContact OD2-ND2 3.43Å; D144-N149 VanDerWaalsContact OD2-ND2 3.08Å; K146-N149 VanDerWaalsContact CE-ND2 3.32Å; K146-N149 WeakPolarHBondContact CE-ND2 3.32Å; K146-N149 WeakPolarHBondContact CE-OD1 3.47Å; K146-N149 HydrophobicContact CG-CB 4.17Å; K146-N149 PolarHBondContact O-N 2.9Å; P147-N149 PolarHBondContact O-N 2.89Å; N149-L164 PolarHBondContact O-N 3.23Å
150F98.5Very high96.8Very high0 Ų037.5 Ų37.50%020%0.198CC..EExtended strand (participates in β ladder)trans-126.9144.9166.9-58.8-88.8000109.5S105 V106 T128 L132 V145 K146 P147 G148 I161 I162 V163 M217S105-F150 CarbonylContact C-O 3.52Å; S105-F150 VanDerWaalsContact CA-O 3.28Å; S105-F150 WeakPolarHBondContact CA-O 3.44Å; V106-F150 HydrophobicContact CB-CB 4.4Å; V106-F150 HydrophobicContact CG2-CB 3.79Å; V106-F150 PolarHBondContact N-O 3.25Å; T128-F150 HydrophobicContact CG2-CB 4.15Å; T128-F150 HydrophobicContact CG2-CD1 3.53Å; T128-F150 HydrophobicContact CG2-CD2 4.14Å; T128-F150 HydrophobicContact CG2-CE1 3.85Å; T128-F150 HydrophobicContact CG2-CE2 4.47Å; T128-F150 HydrophobicContact CG2-CG 3.67Å; T128-F150 HydrophobicContact CG2-CZ 4.33Å; L132-F150 HydrophobicContact CD1-CZ 4.32Å; L132-F150 HydrophobicContact CD2-CZ 4.27Å; L132-F150 HydrophobicContact CG-CE1 4.47Å; L132-F150 HydrophobicContact CG-CZ 4.22Å; V145-F150 HydrophobicContact CG1-CE2 3.91Å; V145-F150 HydrophobicContact CG1-CZ 4.06Å; K146-F150 WeakPolarHBondContact O-CD2 3.13Å; K146-F150 WeakPolarHBondContact O-CE2 3.32Å; P147-F150 PolarHBondContact O-N 3.33Å; P147-F150 VanDerWaalsContact O-O 3.11Å; G148-F150 VanDerWaalsContact C-N 3.33Å; F150-I161 HydrophobicContact CD1-CG2 4.41Å; F150-I162 CarbonylContact C-O 3.44Å; F150-I162 VanDerWaalsContact CA-O 3.27Å; F150-I162 WeakPolarHBondContact CA-O 3.27Å; F150-V163 HydrophobicContact CD1-CB 4.44Å; F150-V163 HydrophobicContact CD1-CG2 4.04Å; F150-V163 HydrophobicContact CE1-CB 4.39Å; F150-V163 HydrophobicContact CE1-CG1 4.19Å; F150-V163 HydrophobicContact CE1-CG2 3.8Å; F150-M217 HydrophobicContact CD2-CE 3.57Å; F150-M217 HydrophobicContact CD2-SD 4Å; F150-M217 HydrophobicContact CE2-CE 3.43Å; F150-M217 VanDerWaalsContact CE2-CE 3.43Å; F150-M217 HydrophobicContact CE2-SD 3.73Å; F150-M217 HydrophobicContact CG-CE 4.49Å; F150-M217 HydrophobicContact CZ-CE 4.21Å
151A98.2Very high96.8Very high1 Ų137.6 Ų37.61%0.00820%0.199CC..EExtended strand (participates in β ladder)trans-134156.7174.100000111.9V102 E104 I162 L164V102-A151 HydrophobicContact CB-CB 4.06Å; V102-A151 HydrophobicContact CG2-CB 3.73Å; E104-A151 WeakPolarHBondContact O-CA 3.21Å; E104-A151 WeakPolarHBondContact O-CB 3.23Å; A151-I162 PolarHBondContact N-O 2.91Å; A151-I162 PolarHBondContact O-N 3.41Å; A151-L164 HydrophobicContact CB-CD1 3.6Å; A151-L164 HydrophobicContact CB-CG 4.27Å
152I98.2Very high96.8Very high8 Ų837.8 Ų37.84%0.04120%0.2CC..EExtended strand (participates in β ladder)trans-81.5163.617062.3163.1000111.2G103 E104 L109 L158 K160 I161 Y321G103-I152 VanDerWaalsContact CA-O 3.3Å; G103-I152 WeakPolarHBondContact CA-O 3.44Å; G103-I152 PolarHBondContact N-O 2.9Å; E104-I152 HydrophobicContact CB-CG1 4.49Å; E104-I152 WeakPolarHBondContact O-CG1 3.41Å; E104-I152 PolarHBondContact O-N 3.23Å; L109-I152 HydrophobicContact CD1-CD1 4.07Å; L109-I152 HydrophobicContact CD1-CG1 4.19Å; L109-I152 HydrophobicContact CD1-CG2 3.66Å; I152-L158 WeakPolarHBondContact CB-O 3.44Å; I152-L158 HydrophobicContact CD1-CD2 4.15Å; I152-K160 CarbonylContact C-O 3.6Å; I152-K160 VanDerWaalsContact CA-O 3.24Å; I152-K160 WeakPolarHBondContact CA-O 3.18Å; I152-I161 HydrophobicContact CG2-CD1 4.2Å; I152-Y321 HydrophobicContact CD1-CD2 3.98Å; I152-Y321 HydrophobicContact CD1-CE2 4.28Å; I152-Y321 HydrophobicContact CD1-CG 4.5Å; I152-Y321 HydrophobicContact CG2-CE1 4.28Å; I152-Y321 HydrophobicContact CG2-CE2 3.96Å
153G97Very high96.9Very high6 Ų638 Ų386%0.06220%0.201CC..PPolyproline II helixtrans-70.4169.9169.600000112.5N157 L158 K160G153-N157 WeakPolarHBondContact CA-O 3.35Å; G153-L158 WeakPolarHBondContact O-CD2 3.4Å; G153-K160 PolarHBondContact N-O 3.07Å
154R95.2Very high96.8Very high117 Ų11738 Ų3844%0.44220%0.203SC..PPolyproline II helixtrans-89.3158.1170.2-57.1-162-47.5164.34.2110.6N157R154-N157 CarbonylContact O-C 3.54Å; R154-N157 WeakPolarHBondContact O-CA 3.49Å; R154-N157 PolarHBondContact O-N 3.39Å
155P94.3Very high96.7Very high103 Ų10340.1 Ų40.167%0.66922%0.215SC*.THydrogen-bonded Turntrans-49.7140171.7-26.234.6000112.1N157 L158P155-N157 VanDerWaalsContact C-N 3.34Å; P155-L158 HydrophobicContact CG-CD2 3.87Å; P155-L158 HydrophobicContact CG-CG 4.27Å
156P93.9Very high96.5Very high122 Ų12240.1 Ų40.179%0.79221%0.214SC*.THydrogen-bonded Turncis-83.94.90.135.1-36.4000114.6L158P156-L158 PolarHBondContact O-N 3.08Å
157N95.5Very high96.2Very high105 Ų10538.5 Ų38.556%0.56121%0.212SC*.  trans-97.839.8-171.3-57.6-65.9000113.5G153 R154 P155 R159 K160G153-N157 WeakPolarHBondContact CA-O 3.35Å; R154-N157 CarbonylContact O-C 3.54Å; R154-N157 WeakPolarHBondContact O-CA 3.49Å; R154-N157 PolarHBondContact O-N 3.39Å; P155-N157 VanDerWaalsContact C-N 3.34Å; N157-R159 PolarHBondContact O-N 3.5Å; N157-K160 HydrophobicContact CB-CB 4.45Å; N157-K160 WeakPolarHBondContact O-CB 3.37Å; N157-K160 PolarHBondContact O-N 3.47Å
158L95.9Very high96Very high46 Ų4640.9 Ų40.924%0.24122%0.224CC..THydrogen-bonded Turntrans-57.5-23.4-175.8-68.9176.5000113.7I152 G153 P155 P156 Y321I152-L158 WeakPolarHBondContact CB-O 3.44Å; I152-L158 HydrophobicContact CD1-CD2 4.15Å; G153-L158 WeakPolarHBondContact O-CD2 3.4Å; P155-L158 HydrophobicContact CG-CD2 3.87Å; P155-L158 HydrophobicContact CG-CG 4.27Å; P156-L158 PolarHBondContact O-N 3.08Å; L158-Y321 WeakPolarHBondContact O-CE2 3.42Å
159R96.8Very high96.1Very high56 Ų5640 Ų4021%0.21121%0.214CC..THydrogen-bonded Turntrans-81.2-10.9178.6-64.3-159.4171.1-143-6.1115W123 N157 P315 H317 L319 E322W123-R159 HydrophobicContact CH2-CB 4.44Å; W123-R159 HydrophobicContact CZ2-CB 3.54Å; W123-R159 HydrophobicContact CZ2-CG 4.2Å; W123-R159 PolarHBondContact NE1-O 2.89Å; N157-R159 PolarHBondContact O-N 3.5Å; R159-P315 PolarHBondContact NH1-O 3.03Å; R159-H317 PolarHBondContact NH2-O 3.25Å; R159-L319 HydrophobicContact CG-CD1 3.83Å; R159-E322 WeakPolarHBondContact CD-OE1 3.33Å; R159-E322 WeakPolarHBondContact CG-OE1 3.49Å; R159-E322 IonicContact CZ-OE1 3.03Å; R159-E322 IonicContact CZ-OE2 2.77Å; R159-E322 IonicContact NE-OE1 2.85Å; R159-E322 PolarHBondContact NE-OE1 2.91Å; R159-E322 IonicContact NE-OE2 2.67Å; R159-E322 PolarHBondContact NE-OE2 3Å; R159-E322 IonicContact NH2-OE1 2.71Å; R159-E322 IonicContact NH2-OE2 2.69Å; R159-E322 PolarHBondContact NH2-OE2 3.43Å
160K97.7Very high96Very high86 Ų8642 Ų4237%0.37422%0.22SC..  trans-66.9135.9178-170.1176.5-172.6-160.20109K79 I152 G153 N157 I162K79-K160 WeakPolarHBondContact O-CE 3.29Å; K79-K160 PolarHBondContact O-NZ 3.22Å; K79-K160 VanDerWaalsContact O-NZ 3.12Å; I152-K160 CarbonylContact C-O 3.6Å; I152-K160 VanDerWaalsContact CA-O 3.24Å; I152-K160 WeakPolarHBondContact CA-O 3.18Å; G153-K160 PolarHBondContact N-O 3.07Å; N157-K160 HydrophobicContact CB-CB 4.45Å; N157-K160 WeakPolarHBondContact O-CB 3.37Å; N157-K160 PolarHBondContact O-N 3.47Å; K160-I162 HydrophobicContact CD-CD1 3.7Å; K160-I162 HydrophobicContact CG-CD1 3.91Å; K160-I162 HydrophobicContact CG-CG1 4.49Å
161I98.6Very high95.9Very high2 Ų245.1 Ų45.11%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-107.4134.7173.4-55.6-55.5000108.7H80 L124 T128 F150 I152H80-I161 WeakPolarHBondContact CA-O 3.35Å; H80-I161 PolarHBondContact ND1-O 3.26Å; L124-I161 HydrophobicContact CD2-CD1 3.68Å; T128-I161 HydrophobicContact CG2-CG2 3.83Å; F150-I161 HydrophobicContact CD1-CG2 4.41Å; I152-I161 HydrophobicContact CG2-CD1 4.2Å
162I98.6Very high95.9Very high6 Ų645.6 Ų45.63%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-125.2127.1-179.5-53.9-65.5000108.8H80 V102 F150 A151 K160 L164H80-I162 CarbonylContact O-C 3.58Å; H80-I162 WeakPolarHBondContact O-CA 3.39Å; V102-I162 HydrophobicContact CG1-CB 4.16Å; V102-I162 HydrophobicContact CG1-CG1 3.98Å; V102-I162 HydrophobicContact CG1-CG2 4.02Å; F150-I162 CarbonylContact C-O 3.44Å; F150-I162 VanDerWaalsContact CA-O 3.27Å; F150-I162 WeakPolarHBondContact CA-O 3.27Å; A151-I162 PolarHBondContact N-O 2.91Å; A151-I162 PolarHBondContact O-N 3.41Å; K160-I162 HydrophobicContact CD-CD1 3.7Å; K160-I162 HydrophobicContact CG-CD1 3.91Å; K160-I162 HydrophobicContact CG-CG1 4.49Å; I162-L164 HydrophobicContact CG2-CD2 3.79Å
163V98.5Very high95.8Very high4 Ų447 Ų472%0.02424%0.243CC..EExtended strand (participates in β ladder)trans-77.4132.9167.5-168.80000108.7H80 F150 F166H80-V163 HydrophobicContact CB-CG2 4.37Å; H80-V163 WeakPolarHBondContact O-CG2 3.24Å; H80-V163 PolarHBondContact O-N 3.39Å; F150-V163 HydrophobicContact CD1-CB 4.44Å; F150-V163 HydrophobicContact CD1-CG2 4.04Å; F150-V163 HydrophobicContact CE1-CB 4.39Å; F150-V163 HydrophobicContact CE1-CG1 4.19Å; F150-V163 HydrophobicContact CE1-CG2 3.8Å; V163-F166 HydrophobicContact CB-CE1 4.35Å; V163-F166 HydrophobicContact CB-CZ 4.1Å; V163-F166 HydrophobicContact CG1-CE1 3.72Å; V163-F166 HydrophobicContact CG1-CZ 3.95Å
164L95.8Very high95.7Very high35 Ų3550 Ų5018%0.18325%0.254CS..  trans-122162.4-177.5-57.3179.4000110.6V102 H142 N149 A151 I162V102-L164 HydrophobicContact CG1-CD2 4.39Å; V102-L164 HydrophobicContact CG2-CD1 4.3Å; V102-L164 HydrophobicContact CG2-CD2 4.22Å; H142-L164 PolarHBondContact NE2-O 3.2Å; H142-L164 VanDerWaalsContact NE2-O 3.11Å; N149-L164 PolarHBondContact O-N 3.23Å; A151-L164 HydrophobicContact CB-CD1 3.6Å; A151-L164 HydrophobicContact CB-CG 4.27Å; I162-L164 HydrophobicContact CG2-CD2 3.79Å
165D92.6Very high95.6Very high56 Ų5655.2 Ų55.230%0.29928%0.28SS..  trans56.583.3170.7-162.29.4000115.6K52 H142 G167K52-D165 IonicContact NZ-OD1 3.54Å; K52-D165 PolarHBondContact NZ-OD1 3.21Å; H142-D165 PolarHBondContact CE1-O 3.45Å; H142-D165 PolarHBondContact NE2-O 3.13Å; D165-G167 PolarHBondContact O-N 3.07Å; D165-G167 PolarHBondContact OD1-N 3.36Å
166F95.1Very high95.5Very high3 Ų354.6 Ų54.61%0.01327%0.271CS..  trans-88.718.5173.9-55-68.3000113E66 V69 L70 L73 L135 V163 M168 A169E66-F166 HydrophobicContact CB-CB 4.33Å; E66-F166 HydrophobicContact CG-CB 4.15Å; E66-F166 HydrophobicContact CG-CD2 4.23Å; V69-F166 HydrophobicContact CB-CB 4.06Å; V69-F166 HydrophobicContact CB-CD2 4.42Å; V69-F166 HydrophobicContact CB-CG 4.12Å; V69-F166 HydrophobicContact CG1-CB 4.02Å; V69-F166 HydrophobicContact CG1-CD1 3.71Å; V69-F166 HydrophobicContact CG1-CD2 3.99Å; V69-F166 HydrophobicContact CG1-CE1 4.16Å; V69-F166 HydrophobicContact CG1-CE2 4.43Å; V69-F166 HydrophobicContact CG1-CG 3.61Å; V69-F166 HydrophobicContact CG1-CZ 4.5Å; V69-F166 HydrophobicContact CG2-CB 4.33Å; L70-F166 HydrophobicContact CD2-CD2 4.09Å; L70-F166 HydrophobicContact CD2-CE2 3.58Å; L70-F166 HydrophobicContact CG-CD2 4.05Å; L70-F166 HydrophobicContact CG-CE2 4.07Å; L73-F166 HydrophobicContact CD1-CE1 4.2Å; L73-F166 HydrophobicContact CD1-CE2 4.09Å; L73-F166 HydrophobicContact CD1-CZ 3.68Å; L135-F166 HydrophobicContact CD1-CD1 4.09Å; L135-F166 HydrophobicContact CD1-CE1 3.91Å; L135-F166 HydrophobicContact CD2-CD1 4.36Å; L135-F166 HydrophobicContact CD2-CE1 4.16Å; V163-F166 HydrophobicContact CB-CE1 4.35Å; V163-F166 HydrophobicContact CB-CZ 4.1Å; V163-F166 HydrophobicContact CG1-CE1 3.72Å; V163-F166 HydrophobicContact CG1-CZ 3.95Å; F166-M168 PolarHBondContact O-N 2.91Å; F166-A169 HydrophobicContact CB-CB 3.9Å; F166-A169 WeakPolarHBondContact O-CB 3.5Å; F166-A169 PolarHBondContact O-N 2.99Å
167G90.8Very high95.4Very high16 Ų1651.3 Ų51.317%0.16526%0.259CS..THydrogen-bonded Turntrans-63-28.9-176.500000113.7T62 D165T62-G167 WeakPolarHBondContact CG2-O 3.4Å; D165-G167 PolarHBondContact O-N 3.07Å; D165-G167 PolarHBondContact OD1-N 3.36Å
168M92.6Very high95.4Very high50 Ų5053.6 Ų53.625%0.24626%0.26CS..THydrogen-bonded Turntrans-94.60.1173-69.2-156.6162.200114H142 R143 D144 F166 R189 G190H142-M168 CarbonylContact O-C 3.48Å; R143-M168 HydrophobicContact CB-CB 4.45Å; R143-M168 PolarHBondContact NE-O 3.22Å; R143-M168 PolarHBondContact NH2-O 3.03Å; D144-M168 HydrophobicContact CB-CB 4.2Å; D144-M168 HydrophobicContact CB-CG 4.3Å; D144-M168 HydrophobicContact CB-SD 3.88Å; F166-M168 PolarHBondContact O-N 2.91Å; M168-R189 HydrophobicContact CE-CB 4.49Å; M168-R189 HydrophobicContact SD-CB 3.95Å; M168-G190 PolarHBondContact SD-N 2.82Å
169A96.2Very high95.4Very high6 Ų653.3 Ų53.35%0.0526%0.258CS..  trans-61.9152.6-174.600000112.2V69 L141 F166V69-A169 HydrophobicContact CG2-CB 4.03Å; L141-A169 CarbonylContact O-C 3.23Å; L141-A169 WeakPolarHBondContact O-CA 3.39Å; L141-A169 WeakPolarHBondContact O-CB 3.4Å; F166-A169 HydrophobicContact CB-CB 3.9Å; F166-A169 WeakPolarHBondContact O-CB 3.5Å; F166-A169 PolarHBondContact O-N 2.99Å
170R95.9Very high95.3Very high53 Ų5355.4 Ų55.420%0.227%0.265CS..EExtended strand (participates in β ladder)trans-145.6129.9179-174.8172.8-177.8-124.98.7112.3Y140 L141 Y172 E204Y140-R170 CarbonylContact C-O 3.59Å; Y140-R170 WeakPolarHBondContact CA-O 3.23Å; L141-R170 PolarHBondContact N-O 3.28Å; L141-R170 PolarHBondContact O-N 3.32Å; R170-Y172 PolarHBondContact O-N 2.84Å; R170-E204 IonicContact CZ-OE1 2.77Å; R170-E204 IonicContact CZ-OE2 3.34Å; R170-E204 IonicContact NH1-OE1 2.68Å; R170-E204 PolarHBondContact NH1-OE1 3.21Å; R170-E204 IonicContact NH1-OE2 3.55Å; R170-E204 PolarHBondContact NH1-OE2 3.17Å; R170-E204 IonicContact NH2-OE2 3.15Å; R170-E204 PolarHBondContact NH2-OE2 2.99Å
171K97Very high95.2Very high66 Ų6661.9 Ų61.929%0.28729%0.287SS..EExtended strand (participates in β ladder)trans-67.5112.1174.7-149.9172.3-164.9148.30110.4G139 Y140 R180G139-K171 CarbonylContact O-C 3.41Å; G139-K171 VanDerWaalsContact O-CA 3.31Å; G139-K171 WeakPolarHBondContact O-CA 3.18Å; G139-K171 WeakPolarHBondContact O-CG 3.11Å; Y140-K171 HydrophobicContact CD1-CB 3.88Å; Y140-K171 HydrophobicContact CD1-CG 4.21Å; Y140-K171 VanDerWaalsContact CD1-N 3.35Å; Y140-K171 HydrophobicContact CE1-CB 3.5Å; Y140-K171 HydrophobicContact CE1-CD 4.17Å; Y140-K171 HydrophobicContact CE1-CG 3.8Å; Y140-K171 HydrophobicContact CE2-CD 4.29Å; Y140-K171 HydrophobicContact CE2-CG 4.19Å; Y140-K171 PolarHBondContact OH-NZ 2.67Å; K171-R180 WeakPolarHBondContact O-CD 3.4Å; K171-R180 PolarHBondContact O-NE 3.24Å
172Y97.3Very high95Very high11 Ų1164.3 Ų64.34%0.04331%0.308CS..  trans-94.2-18.2-179.874.4-86.2000113H136 G139 L141 R170 H179 R180 R207H136-Y172 WeakPolarHBondContact O-CE1 3.17Å; H136-Y172 PolarHBondContact O-OH 3.44Å; G139-Y172 WeakPolarHBondContact O-CD1 3.3Å; G139-Y172 PolarHBondContact O-N 3.31Å; L141-Y172 HydrophobicContact CD2-CD1 3.64Å; L141-Y172 HydrophobicContact CD2-CE1 4.21Å; L141-Y172 HydrophobicContact CD2-CG 4.01Å; L141-Y172 HydrophobicContact CG-CD1 3.78Å; L141-Y172 HydrophobicContact CG-CG 4.08Å; R170-Y172 PolarHBondContact O-N 2.84Å; Y172-H179 AromaticContact CD2-CD2 3.49Å; Y172-H179 VanDerWaalsContact CD2-CD2 3.49Å; Y172-H179 WeakPolarHBondContact CD2-CD2 3.47Å; Y172-H179 AromaticContact CD2-NE2 3.37Å; Y172-H179 WeakPolarHBondContact CD2-NE2 3.2Å; Y172-H179 AromaticContact CE2-CD2 3.9Å; Y172-R180 WeakPolarHBondContact O-CG 3.35Å; Y172-R180 PolarHBondContact O-N 3.35Å; Y172-R207 HydrophobicContact CE1-CG 4.15Å; Y172-R207 HydrophobicContact CE2-CG 4.18Å; Y172-R207 WeakPolarHBondContact OH-CD 3.46Å; Y172-R207 PolarHBondContact OH-NH1 3.3Å
173I96.9Very high94.7Very high39 Ų3968.9 Ų68.920%0.233%0.325CS..BIsolated β-bridgetrans-95.9135.2173.2-61.1-58.4000110.3
174K94.9Very high94.2Very high68 Ų6876.7 Ų76.730%0.29637%0.366SS..  trans-79.6167.1172.7-68.3-179.2-176.6-178.10110.7D176 G177 R178 R180K174-D176 WeakPolarHBondContact CB-OD1 3.32Å; K174-D176 PolarHBondContact O-N 3.44Å; K174-D176 VanDerWaalsContact O-N 3.11Å; K174-G177 PolarHBondContact O-N 3.22Å; K174-R178 WeakPolarHBondContact CB-O 3.19Å; K174-R178 PolarHBondContact N-O 2.85Å; K174-R180 HydrophobicContact CG-CG 3.91Å
175K91.6Very high93.7Very high227 Ų22780.1 Ų80.199%0.98739%0.389SS*.THydrogen-bonded Turntrans-57.2-26.8175.8-66.3-172.2178.5-175.70113.4G177K175-G177 VanDerWaalsContact C-N 3.27Å; K175-G177 PolarHBondContact O-N 3.45Å
176D94.1Very high93.3Very high89 Ų8977.7 Ų77.748%0.47638%0.376SS..THydrogen-bonded Turntrans-85.99.817765.17.7000113.7K174 R178K174-D176 WeakPolarHBondContact CB-OD1 3.32Å; K174-D176 PolarHBondContact O-N 3.44Å; K174-D176 VanDerWaalsContact O-N 3.11Å; D176-R178 PolarHBondContact O-N 2.89Å; D176-R178 WeakPolarHBondContact OD1-CB 3.39Å; D176-R178 PolarHBondContact OD1-N 3.5Å; D176-R178 IonicContact OD1-NE 3.53Å; D176-R178 IonicContact OD2-CZ 3.15Å; D176-R178 IonicContact OD2-NE 2.76Å; D176-R178 PolarHBondContact OD2-NE 2.88Å; D176-R178 IonicContact OD2-NH2 2.71Å; D176-R178 PolarHBondContact OD2-NH2 3.24Å
177G91.7Very high92.9Very high53 Ų5379.5 Ų79.555%0.54640%0.396SS..SBendtrans79.3-6.7179.800000114.9K174 K175K174-G177 PolarHBondContact O-N 3.22Å; K175-G177 VanDerWaalsContact C-N 3.27Å; K175-G177 PolarHBondContact O-N 3.45Å
178R94.2Very high92.9Very high153 Ų15380 Ų8058%0.57739%0.394SS*.PPolyproline II helixtrans-79.1146.9-178.9-62.6-174.8-64164.1-6.5112.2K174 D176K174-R178 WeakPolarHBondContact CB-O 3.19Å; K174-R178 PolarHBondContact N-O 2.85Å; D176-R178 PolarHBondContact O-N 2.89Å; D176-R178 WeakPolarHBondContact OD1-CB 3.39Å; D176-R178 PolarHBondContact OD1-N 3.5Å; D176-R178 IonicContact OD1-NE 3.53Å; D176-R178 IonicContact OD2-CZ 3.15Å; D176-R178 IonicContact OD2-NE 2.76Å; D176-R178 PolarHBondContact OD2-NE 2.88Å; D176-R178 IonicContact OD2-NH2 2.71Å; D176-R178 PolarHBondContact OD2-NH2 3.24Å
179H95.9Very high92.7Very high41 Ų4183.2 Ų83.219%0.1940%0.403CS..BIsolated β-bridgetrans-63.2137.8170.1-157.1-74.6000110.5Y172 F291 A292Y172-H179 AromaticContact CD2-CD2 3.49Å; Y172-H179 VanDerWaalsContact CD2-CD2 3.49Å; Y172-H179 WeakPolarHBondContact CD2-CD2 3.47Å; Y172-H179 AromaticContact CD2-NE2 3.37Å; Y172-H179 WeakPolarHBondContact CD2-NE2 3.2Å; Y172-H179 AromaticContact CE2-CD2 3.9Å; H179-F291 AromaticContact CE1-CE1 3.42Å; H179-F291 VanDerWaalsContact CE1-CE1 3.42Å; H179-F291 WeakPolarHBondContact CE1-CE1 3.48Å; H179-F291 AromaticContact CE1-CZ 3.47Å; H179-F291 VanDerWaalsContact CE1-CZ 3.47Å; H179-F291 WeakPolarHBondContact CE1-CZ 3.49Å; H179-F291 AromaticContact ND1-CE1 3.59Å; H179-F291 AromaticContact ND1-CZ 3.98Å; H179-A292 HydrophobicContact CB-CB 4.41Å
180R95.9Very high92.4Very high100 Ų10083.5 Ų83.538%0.37741%0.407SS..PPolyproline II helixtrans-63.4146.3170-72.5-179-177.2-84.7-0.6110K171 Y172 K174 F291K171-R180 WeakPolarHBondContact O-CD 3.4Å; K171-R180 PolarHBondContact O-NE 3.24Å; Y172-R180 WeakPolarHBondContact O-CG 3.35Å; Y172-R180 PolarHBondContact O-N 3.35Å; K174-R180 HydrophobicContact CG-CG 3.91Å; R180-F291 WeakPolarHBondContact O-CE1 3.5Å
181R94.7Very high92.2Very high221 Ų22182.3 Ų82.383%0.83441%0.405SS*.PPolyproline II helixtrans-70.4148.4173.7-60.5-178.9101.2-177.55109.2
182A94.5Very high92Very high53 Ų5379.4 Ų79.444%0.43839%0.393SS..PPolyproline II helixtrans-61.8139.6169.900000109.5E204 F291A182-E204 HydrophobicContact CB-CB 4Å; A182-E204 HydrophobicContact CB-CG 4.43Å; A182-F291 HydrophobicContact CB-CD1 3.91Å; A182-F291 HydrophobicContact CB-CE1 3.76Å; A182-F291 HydrophobicContact CB-CG 4.32Å; A182-F291 HydrophobicContact CB-CZ 4.08Å
183R92.4Very high91.8Very high103 Ų10379.4 Ų79.439%0.38939%0.393SS..PPolyproline II helixtrans-79.1146164.8-70.8175-72.91675.1108.5V185 E204R183-V185 VanDerWaalsContact C-N 3.26Å; R183-V185 PolarHBondContact O-N 2.89Å; R183-E204 IonicContact CZ-OE1 2.87Å; R183-E204 IonicContact CZ-OE2 2.75Å; R183-E204 IonicContact NE-OE1 3.24Å; R183-E204 IonicContact NE-OE2 3.67Å; R183-E204 PolarHBondContact NE-OE2 3.08Å; R183-E204 IonicContact NH2-OE1 3.38Å; R183-E204 PolarHBondContact NH2-OE1 3.3Å; R183-E204 IonicContact NH2-OE2 3.53Å; R183-E204 PolarHBondContact NH2-OE2 3.35Å
184D87.5Confident91.8Very high167 Ų16778 Ų7889%0.89339%0.385SS*.SBendtrans-63.1-36.7177.8-58.9-36.4000111.6
185V85.1Confident91.8Very high108 Ų10875.1 Ų75.166%0.65537%0.374SS*.  trans-131.4124.3170-176.70000108.8R183 M202R183-V185 VanDerWaalsContact C-N 3.26Å; R183-V185 PolarHBondContact O-N 2.89Å; V185-M202 HydrophobicContact CG1-CB 4.23Å
186A84Confident92.1Very high4 Ų464.4 Ų64.43%0.03333%0.328CS..  trans-114113.5167.900000107.5F188 M202 E204A186-F188 PolarHBondContact O-N 3.09Å; A186-M202 PolarHBondContact N-O 3.48Å; A186-M202 CarbonylContact O-C 3.32Å; A186-M202 VanDerWaalsContact O-C 3.23Å; A186-M202 WeakPolarHBondContact O-CA 3.41Å; A186-E204 HydrophobicContact CB-CB 4.28Å
187G87.1Confident92.2Very high42 Ų4260.4 Ų60.443%0.43331%0.307SS..  trans-53.4143.8172.800000111
188F90.9Very high92.4Very high27 Ų2759.3 Ų59.312%0.11829%0.289CS..  trans-54.8137.6-175.7173.9-105.4000112.4A186 G190 P192 A195 A199 L200 M202 L253A186-F188 PolarHBondContact O-N 3.09Å; F188-G190 WeakPolarHBondContact CE1-O 3.12Å; F188-G190 WeakPolarHBondContact CZ-O 3.2Å; F188-P192 HydrophobicContact CE1-CG 3.71Å; F188-P192 HydrophobicContact CZ-CB 4.29Å; F188-P192 HydrophobicContact CZ-CG 3.72Å; F188-A195 HydrophobicContact CE2-CB 3.69Å; F188-A195 HydrophobicContact CZ-CB 4.13Å; F188-A199 HydrophobicContact CD2-CB 4.44Å; F188-A199 WeakPolarHBondContact CD2-O 3.44Å; F188-A199 HydrophobicContact CE2-CB 4.4Å; F188-L200 HydrophobicContact CE2-CD2 4Å; F188-L200 HydrophobicContact CE2-CG 4.48Å; F188-M202 HydrophobicContact CB-CE 3.76Å; F188-M202 HydrophobicContact CB-SD 3.81Å; F188-M202 PolarHBondContact N-SD 2.95Å; F188-L253 HydrophobicContact CB-CD1 3.99Å; F188-L253 HydrophobicContact CD1-CD1 3.96Å; F188-L253 HydrophobicContact CD1-CD2 4.35Å; F188-L253 HydrophobicContact CE1-CD2 4.31Å; F188-L253 HydrophobicContact CG-CD1 3.93Å; F188-L253 HydrophobicContact CG-CD2 4.5Å; F188-L253 HydrophobicContact CZ-CD2 4.41Å
189R88.3Confident92.5Very high117 Ų11752.1 Ų52.144%0.44226%0.262SS..  trans-140139.5169.9-67.1-64.3-176.7-877.5108.6M168 Q205M168-R189 HydrophobicContact CE-CB 4.49Å; M168-R189 HydrophobicContact SD-CB 3.95Å; R189-Q205 PolarHBondContact O-NE2 3.12Å; R189-Q205 PolarHBondContact O-OE1 2.86Å
190G90.5Very high92.5Very high12 Ų1250.2 Ų50.212%0.12425%0.253CS..SBendtrans117.3-170.6178.500000112.6R143 D144 M168 F188R143-G190 WeakPolarHBondContact O-CA 3.35Å; D144-G190 VanDerWaalsContact OD1-C 3.27Å; D144-G190 WeakPolarHBondContact OD1-CA 3.5Å; M168-G190 PolarHBondContact SD-N 2.82Å; F188-G190 WeakPolarHBondContact CE1-O 3.12Å; F188-G190 WeakPolarHBondContact CZ-O 3.2Å
191T91.8Very high92.5Very high28 Ų2848.7 Ų48.717%0.17225%0.252CS..  trans-98.4115.8-178.9-63.70000109.7D144 K146 Y193 Y194 A195D144-T191 WeakPolarHBondContact OD1-CB 3.18Å; D144-T191 PolarHBondContact OD1-N 3.34Å; D144-T191 PolarHBondContact OD1-OG1 2.93Å; K146-T191 HydrophobicContact CD-CG2 4.25Å; K146-T191 VanDerWaalsContact CD-OG1 3.29Å; K146-T191 WeakPolarHBondContact CD-OG1 3.35Å; K146-T191 PolarHBondContact NZ-OG1 3.12Å; T191-Y193 PolarHBondContact O-N 3.15Å; T191-Y194 HydrophobicContact CG2-CD2 3.98Å; T191-Y194 PolarHBondContact O-N 3.41Å; T191-A195 WeakPolarHBondContact O-CB 3.28Å; T191-A195 PolarHBondContact O-N 3.28Å
192P92.8Very high92.5Very high4 Ų440 Ų403%0.02622%0.222CC..THydrogen-bonded Turntrans-53.9-29.7-171.5-29.935.1000114.4F188 L200 F238 L253 M256 R260F188-P192 HydrophobicContact CE1-CG 3.71Å; F188-P192 HydrophobicContact CZ-CB 4.29Å; F188-P192 HydrophobicContact CZ-CG 3.72Å; P192-L200 HydrophobicContact CB-CD2 4.39Å; P192-F238 HydrophobicContact CB-CD2 4.15Å; P192-F238 HydrophobicContact CB-CE2 4.1Å; P192-F238 HydrophobicContact CG-CD2 3.78Å; P192-F238 HydrophobicContact CG-CE2 4.02Å; P192-F238 HydrophobicContact CG-CG 4.31Å; P192-L253 HydrophobicContact CB-CD2 3.98Å; P192-L253 HydrophobicContact CG-CD2 3.93Å; P192-M256 HydrophobicContact CB-SD 4.02Å; P192-R260 PolarHBondContact O-NH1 3.03Å; P192-R260 PolarHBondContact O-NH2 3.39Å
193Y93.1Very high92.6Very high11 Ų1138.4 Ų38.44%0.04321%0.211CC..THydrogen-bonded Turntrans-68-30.4179.8-176-107.1000114.1T191 E220 L226 W228 Q229 D234 R260T191-Y193 PolarHBondContact O-N 3.15Å; Y193-E220 WeakPolarHBondContact CE1-OE1 3.38Å; Y193-E220 PolarHBondContact OH-OE1 2.96Å; Y193-L226 HydrophobicContact CD1-CD1 4.33Å; Y193-L226 HydrophobicContact CE1-CD1 3.75Å; Y193-W228 AromaticContact CD2-CD1 3.87Å; Y193-W228 AromaticContact CD2-NE1 3.82Å; Y193-W228 AromaticContact CE2-CD1 3.83Å; Y193-W228 AromaticContact CE2-NE1 3.85Å; Y193-W228 PolarHBondContact O-NE1 3.48Å; Y193-Q229 HydrophobicContact CE2-CB 4.24Å; Y193-Q229 HydrophobicContact CE2-CG 4.32Å; Y193-D234 HydrophobicContact CE2-CB 4.4Å; Y193-R260 VanDerWaalsContact CA-NH2 3.33Å; Y193-R260 PolarHBondContact O-NH2 2.92Å
194Y95.8Very high92.8Very high10 Ų1033.9 Ų33.94%0.03919%0.194CC..THydrogen-bonded Turntrans-109.9-12.6179.2-59.4-74.7000113.8V145 K146 P147 T191 A213 F216 M217 E220 L226V145-Y194 WeakPolarHBondContact O-CB 3.42Å; K146-Y194 HydrophobicContact CB-CD2 3.41Å; K146-Y194 VanDerWaalsContact CB-CD2 3.41Å; K146-Y194 HydrophobicContact CB-CE2 3.66Å; K146-Y194 HydrophobicContact CB-CG 4.19Å; P147-Y194 VanDerWaalsContact CD-CE2 3.42Å; P147-Y194 WeakPolarHBondContact CD-OH 3.22Å; P147-Y194 HydrophobicContact CG-CE1 4.21Å; P147-Y194 HydrophobicContact CG-CE2 4.38Å; P147-Y194 WeakPolarHBondContact CG-OH 3.42Å; T191-Y194 HydrophobicContact CG2-CD2 3.98Å; T191-Y194 PolarHBondContact O-N 3.41Å; Y194-A213 WeakPolarHBondContact O-CA 3.46Å; Y194-A213 WeakPolarHBondContact O-CB 3.32Å; Y194-F216 VanDerWaalsContact O-CD2 3.28Å; Y194-F216 WeakPolarHBondContact O-CD2 3.46Å; Y194-M217 HydrophobicContact CD1-CG 4.47Å; Y194-M217 HydrophobicContact CE1-CG 4.29Å; Y194-E220 WeakPolarHBondContact CE1-OE2 3.48Å; Y194-E220 VanDerWaalsContact CZ-OE2 3.29Å; Y194-E220 PolarHBondContact OH-OE2 2.95Å; Y194-L226 HydrophobicContact CD1-CD1 4.19Å; Y194-L226 HydrophobicContact CE1-CD1 4.16Å
195A96Very high93.3Very high8 Ų826.5 Ų26.57%0.06615%0.154CC..  trans-59.7146-174.300000113.1F188 T191 A199 L200 R260F188-A195 HydrophobicContact CE2-CB 3.69Å; F188-A195 HydrophobicContact CZ-CB 4.13Å; T191-A195 WeakPolarHBondContact O-CB 3.28Å; T191-A195 PolarHBondContact O-N 3.28Å; A195-A199 HydrophobicContact CB-CB 4.24Å; A195-L200 HydrophobicContact CB-CD1 4.36Å; A195-L200 HydrophobicContact CB-CD2 4.03Å; A195-L200 HydrophobicContact CB-CG 3.93Å; A195-R260 WeakPolarHBondContact O-CD 3.38Å
196S97.4Very high93.9Very high2 Ų221.3 Ų21.31%0.01412%0.123CC..  trans-65.1158.2173.775.20000111.5V198 A199 L200 D209S196-V198 PolarHBondContact O-N 2.95Å; S196-A199 PolarHBondContact O-N 3.11Å; S196-A199 PolarHBondContact OG-N 3.39Å; S196-L200 VanDerWaalsContact O-CD1 3.28Å; S196-L200 WeakPolarHBondContact O-CD1 3.19Å; S196-L200 WeakPolarHBondContact O-CG 3.39Å; S196-L200 PolarHBondContact O-N 2.62Å; S196-D209 VanDerWaalsContact CB-OD1 3.29Å; S196-D209 WeakPolarHBondContact CB-OD1 3.47Å; S196-D209 WeakPolarHBondContact OG-CB 3.2Å; S196-D209 PolarHBondContact OG-OD1 2.97Å
197P96.4Very high94.6Very high5 Ų522.7 Ų22.73%0.03213%0.128CC..Hα-helixtrans-52.8-41.7173.3-24.932000113.1A199 L200 L201 R260 Q261 I264P197-A199 PolarHBondContact O-N 3.33Å; P197-L200 PolarHBondContact O-N 3.21Å; P197-L201 WeakPolarHBondContact O-CB 3.37Å; P197-L201 VanDerWaalsContact O-CG 3.26Å; P197-L201 WeakPolarHBondContact O-CG 3.24Å; P197-L201 PolarHBondContact O-N 3.2Å; P197-R260 HydrophobicContact CG-CB 3.85Å; P197-Q261 HydrophobicContact CB-CB 4.14Å; P197-I264 HydrophobicContact CG-CD1 3.48Å; P197-I264 VanDerWaalsContact CG-CD1 3.48Å
198V96.6Very high95.1Very high30 Ų3022.7 Ų22.718%0.18211%0.114CC..Hα-helixtrans-61.5-45.8-179.4175.10000110.8S196 L200 L201 M202 G203 D209S196-V198 PolarHBondContact O-N 2.95Å; V198-L200 VanDerWaalsContact C-N 3.35Å; V198-L200 PolarHBondContact O-N 3.27Å; V198-L201 CarbonylContact O-C 3.52Å; V198-L201 PolarHBondContact O-N 3.33Å; V198-M202 PolarHBondContact O-N 2.92Å; V198-G203 VanDerWaalsContact O-CA 3.29Å; V198-G203 WeakPolarHBondContact O-CA 2.9Å; V198-G203 PolarHBondContact O-N 3.28Å; V198-D209 WeakPolarHBondContact CB-OD1 3.21Å
199A96.3Very high95.5Very high1 Ų121.5 Ų21.51%0.00811%0.109CC..Hα-helixtrans-61-45.4178.900000111.5F188 A195 S196 P197 L201 M202 Q205F188-A199 HydrophobicContact CD2-CB 4.44Å; F188-A199 WeakPolarHBondContact CD2-O 3.44Å; F188-A199 HydrophobicContact CE2-CB 4.4Å; A195-A199 HydrophobicContact CB-CB 4.24Å; S196-A199 PolarHBondContact O-N 3.11Å; S196-A199 PolarHBondContact OG-N 3.39Å; P197-A199 PolarHBondContact O-N 3.33Å; A199-L201 VanDerWaalsContact C-N 3.29Å; A199-L201 PolarHBondContact O-N 3.42Å; A199-M202 PolarHBondContact O-N 3.08Å; A199-Q205 HydrophobicContact CB-CG 3.77Å
200L95.2Very high96Very high1 Ų116 Ų161%0.0059%0.089CC..Hα-helixtrans-66.5-30.4-179-65.1155.3000113F188 P192 A195 S196 P197 V198 M202 L253 M256F188-L200 HydrophobicContact CE2-CD2 4Å; F188-L200 HydrophobicContact CE2-CG 4.48Å; P192-L200 HydrophobicContact CB-CD2 4.39Å; A195-L200 HydrophobicContact CB-CD1 4.36Å; A195-L200 HydrophobicContact CB-CD2 4.03Å; A195-L200 HydrophobicContact CB-CG 3.93Å; S196-L200 VanDerWaalsContact O-CD1 3.28Å; S196-L200 WeakPolarHBondContact O-CD1 3.19Å; S196-L200 WeakPolarHBondContact O-CG 3.39Å; S196-L200 PolarHBondContact O-N 2.62Å; P197-L200 PolarHBondContact O-N 3.21Å; V198-L200 VanDerWaalsContact C-N 3.35Å; V198-L200 PolarHBondContact O-N 3.27Å; L200-M202 PolarHBondContact O-N 3.13Å; L200-L253 HydrophobicContact CD2-CD2 3.81Å; L200-M256 HydrophobicContact CD1-CB 4.39Å; L200-M256 HydrophobicContact CD2-CB 4.21Å; L200-M256 HydrophobicContact CD2-SD 4.47Å
201L95.8Very high96.4Very high68 Ų6815.4 Ų15.436%0.3568%0.083SC..THydrogen-bonded Turntrans-89.121.4176.4-64.4169.6000112.7P197 V198 A199 G203 A254P197-L201 WeakPolarHBondContact O-CB 3.37Å; P197-L201 VanDerWaalsContact O-CG 3.26Å; P197-L201 WeakPolarHBondContact O-CG 3.24Å; P197-L201 PolarHBondContact O-N 3.2Å; V198-L201 CarbonylContact O-C 3.52Å; V198-L201 PolarHBondContact O-N 3.33Å; A199-L201 VanDerWaalsContact C-N 3.29Å; A199-L201 PolarHBondContact O-N 3.42Å; L201-G203 PolarHBondContact O-N 2.89Å; L201-G203 VanDerWaalsContact O-N 3.15Å; L201-A254 HydrophobicContact CD2-CB 4.24Å
202M95.1Very high96.7Very high38 Ų3814.8 Ų14.819%0.1878%0.077CC..THydrogen-bonded Turntrans60.122.9178.4-51.1-63.3152.700114.3V185 A186 F188 V198 A199 L200 V250 L253V185-M202 HydrophobicContact CG1-CB 4.23Å; A186-M202 PolarHBondContact N-O 3.48Å; A186-M202 CarbonylContact O-C 3.32Å; A186-M202 VanDerWaalsContact O-C 3.23Å; A186-M202 WeakPolarHBondContact O-CA 3.41Å; F188-M202 HydrophobicContact CB-CE 3.76Å; F188-M202 HydrophobicContact CB-SD 3.81Å; F188-M202 PolarHBondContact N-SD 2.95Å; V198-M202 PolarHBondContact O-N 2.92Å; A199-M202 PolarHBondContact O-N 3.08Å; L200-M202 PolarHBondContact O-N 3.13Å; M202-V250 HydrophobicContact CE-CG1 4.38Å; M202-L253 HydrophobicContact CE-CB 4.15Å; M202-L253 HydrophobicContact CE-CD1 3.69Å
203G96.3Very high97Very high21 Ų2114.9 Ų14.922%0.2168%0.078CC..PPolyproline II helixtrans-80152.1174.700000111.7V198 L201 Q205V198-G203 VanDerWaalsContact O-CA 3.29Å; V198-G203 WeakPolarHBondContact O-CA 2.9Å; V198-G203 PolarHBondContact O-N 3.28Å; L201-G203 PolarHBondContact O-N 2.89Å; L201-G203 VanDerWaalsContact O-N 3.15Å; G203-Q205 PolarHBondContact O-N 3.28Å
204E96.6Very high97.2Very high7 Ų714.4 Ų14.43%0.0338%0.076CC..PPolyproline II helixtrans-65.7122.6173.9-17675.2-91.300111R170 A182 R183 A186 F291R170-E204 IonicContact CZ-OE1 2.77Å; R170-E204 IonicContact CZ-OE2 3.34Å; R170-E204 IonicContact NH1-OE1 2.68Å; R170-E204 PolarHBondContact NH1-OE1 3.21Å; R170-E204 IonicContact NH1-OE2 3.55Å; R170-E204 PolarHBondContact NH1-OE2 3.17Å; R170-E204 IonicContact NH2-OE2 3.15Å; R170-E204 PolarHBondContact NH2-OE2 2.99Å; A182-E204 HydrophobicContact CB-CB 4Å; A182-E204 HydrophobicContact CB-CG 4.43Å; R183-E204 IonicContact CZ-OE1 2.87Å; R183-E204 IonicContact CZ-OE2 2.75Å; R183-E204 IonicContact NE-OE1 3.24Å; R183-E204 IonicContact NE-OE2 3.67Å; R183-E204 PolarHBondContact NE-OE2 3.08Å; R183-E204 IonicContact NH2-OE1 3.38Å; R183-E204 PolarHBondContact NH2-OE1 3.3Å; R183-E204 IonicContact NH2-OE2 3.53Å; R183-E204 PolarHBondContact NH2-OE2 3.35Å; A186-E204 HydrophobicContact CB-CB 4.28Å; E204-F291 HydrophobicContact CB-CD2 4.49Å; E204-F291 HydrophobicContact CB-CE2 3.93Å; E204-F291 HydrophobicContact CB-CZ 4.35Å; E204-F291 HydrophobicContact CG-CD2 4.34Å; E204-F291 HydrophobicContact CG-CE2 3.35Å; E204-F291 HydrophobicContact CG-CZ 3.56Å; E204-F291 WeakPolarHBondContact O-CD2 3.41Å
205Q97.9Very high97.4Very high12 Ų1213.9 Ų13.96%0.0567%0.074CC..PPolyproline II helixtrans-71.1130.7174.8-68169.2-83.700110.7L141 R143 R189 A199 G203 D209 F291L141-Q205 WeakPolarHBondContact CD1-O 3.02Å; R143-Q205 HydrophobicContact CG-CB 4.33Å; R143-Q205 PolarHBondContact O-NE2 3.3Å; R189-Q205 PolarHBondContact O-NE2 3.12Å; R189-Q205 PolarHBondContact O-OE1 2.86Å; A199-Q205 HydrophobicContact CB-CG 3.77Å; G203-Q205 PolarHBondContact O-N 3.28Å; Q205-D209 WeakPolarHBondContact CA-OD2 3.44Å; Q205-D209 HydrophobicContact CB-CB 4.11Å; Q205-D209 HydrophobicContact CG-CB 4.14Å; Q205-F291 WeakPolarHBondContact O-CE2 3.41Å
206G98.1Very high97.5Very high0 Ų013.5 Ų13.50%07%0.071CC..  trans-113.3-171.1165.600000111.1R208 D209G206-R208 PolarHBondContact O-N 2.76Å; G206-D209 PolarHBondContact N-OD2 3.19Å; G206-D209 WeakPolarHBondContact O-CB 3.32Å; G206-D209 PolarHBondContact O-N 2.78Å
207R98.5Very high97.5Very high33 Ų3313.4 Ų13.413%0.1257%0.071CC..Hα-helixtrans-59.1-34.2178.8-68-179.7-75-154.2-3.2112.8H136 L141 Y172 D209 D210 I211 A292 D293 P295H136-R207 HydrophobicContact CB-CG 4.36Å; H136-R207 WeakPolarHBondContact ND1-CB 3.44Å; H136-R207 WeakPolarHBondContact ND1-CG 3.31Å; L141-R207 HydrophobicContact CD2-CB 4.18Å; L141-R207 HydrophobicContact CD2-CG 3.52Å; Y172-R207 HydrophobicContact CE1-CG 4.15Å; Y172-R207 HydrophobicContact CE2-CG 4.18Å; Y172-R207 WeakPolarHBondContact OH-CD 3.46Å; Y172-R207 PolarHBondContact OH-NH1 3.3Å; R207-D209 PolarHBondContact O-N 3.25Å; R207-D210 PolarHBondContact O-N 2.88Å; R207-I211 WeakPolarHBondContact O-CG1 3.29Å; R207-I211 PolarHBondContact O-N 3.26Å; R207-A292 PolarHBondContact NH2-O 3.16Å; R207-D293 PolarHBondContact NE-O 2.91Å; R207-D293 VanDerWaalsContact NE-O 3.12Å; R207-D293 VanDerWaalsContact NH2-C 3.34Å; R207-D293 PolarHBondContact NH2-O 3.08Å; R207-P295 HydrophobicContact CB-CG 3.73Å
208R98.1Very high97.6Very high41 Ų4113.2 Ų13.216%0.1557%0.069CC..Hα-helixtrans-56.7-31.4177.270.1178.5-179.4-179.2-1.9112.3G206 I211 W212 L289G206-R208 PolarHBondContact O-N 2.76Å; R208-I211 PolarHBondContact O-N 2.96Å; R208-W212 PolarHBondContact O-N 3.35Å; R208-L289 HydrophobicContact CB-CB 3.91Å; R208-L289 HydrophobicContact CB-CD1 4.05Å; R208-L289 VanDerWaalsContact CD-O 3.23Å; R208-L289 WeakPolarHBondContact CD-O 3.49Å; R208-L289 PolarHBondContact NH1-O 2.84Å
209D98.5Very high97.7Very high2 Ų211.8 Ų11.81%0.0116%0.061CC..Hα-helixtrans-77-38.1-174.3-61.2-70000111.4S196 V198 Q205 G206 R207 I211 W212 A213S196-D209 VanDerWaalsContact CB-OD1 3.29Å; S196-D209 WeakPolarHBondContact CB-OD1 3.47Å; S196-D209 WeakPolarHBondContact OG-CB 3.2Å; S196-D209 PolarHBondContact OG-OD1 2.97Å; V198-D209 WeakPolarHBondContact CB-OD1 3.21Å; Q205-D209 WeakPolarHBondContact CA-OD2 3.44Å; Q205-D209 HydrophobicContact CB-CB 4.11Å; Q205-D209 HydrophobicContact CG-CB 4.14Å; G206-D209 PolarHBondContact N-OD2 3.19Å; G206-D209 WeakPolarHBondContact O-CB 3.32Å; G206-D209 PolarHBondContact O-N 2.78Å; R207-D209 PolarHBondContact O-N 3.25Å; D209-I211 VanDerWaalsContact C-N 3.28Å; D209-I211 PolarHBondContact O-N 3.09Å; D209-W212 PolarHBondContact O-N 2.79Å; D209-A213 WeakPolarHBondContact O-CB 3.12Å; D209-A213 PolarHBondContact O-N 2.97Å
210D98.8Very high97.7Very high2 Ų212.3 Ų12.31%0.0116%0.063CC..Hα-helixtrans-61.4-38.9169.1-73.5-23.9000111H136 L141 H142 R143 V145 R207 W214H136-D210 IonicContact CE1-OD2 3.43Å; H136-D210 IonicContact NE2-OD2 2.9Å; H136-D210 PolarHBondContact NE2-OD2 3.01Å; L141-D210 WeakPolarHBondContact CA-OD2 3.42Å; H142-D210 PolarHBondContact N-OD2 2.91Å; R143-D210 WeakPolarHBondContact CA-OD1 3.42Å; R143-D210 PolarHBondContact N-OD1 2.82Å; V145-D210 HydrophobicContact CG2-CB 3.9Å; R207-D210 PolarHBondContact O-N 2.88Å; D210-W214 WeakPolarHBondContact O-CB 3.45Å; D210-W214 PolarHBondContact O-N 3.05Å
211I98.8Very high97.9Very high0 Ų012.3 Ų12.30%06%0.063CC..Hα-helixtrans-76.5-31.7179.7-55.1-47.7000112.7L129 L132 R207 R208 D209 W214 F215 L286 P295 Y297 I300L129-I211 HydrophobicContact CD1-CD1 3.78Å; L132-I211 HydrophobicContact CB-CD1 4.37Å; L132-I211 HydrophobicContact CD1-CD1 4.2Å; R207-I211 WeakPolarHBondContact O-CG1 3.29Å; R207-I211 PolarHBondContact O-N 3.26Å; R208-I211 PolarHBondContact O-N 2.96Å; D209-I211 VanDerWaalsContact C-N 3.28Å; D209-I211 PolarHBondContact O-N 3.09Å; I211-W214 HydrophobicContact CG2-CE3 3.94Å; I211-W214 HydrophobicContact CG2-CZ3 4.44Å; I211-F215 WeakPolarHBondContact O-CB 3.38Å; I211-F215 PolarHBondContact O-N 3.32Å; I211-L286 HydrophobicContact CB-CD2 4.37Å; I211-L286 HydrophobicContact CG2-CD1 4.02Å; I211-L286 HydrophobicContact CG2-CD2 3.51Å; I211-L286 HydrophobicContact CG2-CG 4.42Å; I211-P295 HydrophobicContact CG1-CB 3.75Å; I211-P295 HydrophobicContact CG1-CG 3.61Å; I211-Y297 HydrophobicContact CD1-CE1 3.86Å; I211-Y297 HydrophobicContact CG1-CE1 4.44Å; I211-I300 HydrophobicContact CG2-CD1 3.91Å
212W98.5Very high98Very high15 Ų159.4 Ų9.46%0.0575%0.048CC..Hα-helixtrans-64-46169.7-86.4117.6000111.6R208 D209 W214 F215 F216 I264 F283 L286 K287R208-W212 PolarHBondContact O-N 3.35Å; D209-W212 PolarHBondContact O-N 2.79Å; W212-W214 PolarHBondContact O-N 3.28Å; W212-F215 HydrophobicContact CE3-CD1 4.22Å; W212-F215 AromaticContact CZ3-CD1 3.95Å; W212-F215 HydrophobicContact CZ3-CD1 3.95Å; W212-F215 HydrophobicContact CZ3-CE1 4.5Å; W212-F215 PolarHBondContact O-N 3.25Å; W212-F215 VanDerWaalsContact O-N 3.12Å; W212-F216 AromaticContact CE3-CE1 3.94Å; W212-F216 HydrophobicContact CE3-CE1 3.94Å; W212-F216 HydrophobicContact CE3-CZ 4.12Å; W212-F216 HydrophobicContact CZ3-CE1 4.41Å; W212-F216 WeakPolarHBondContact O-CD2 3.37Å; W212-F216 VanDerWaalsContact O-CG 3.31Å; W212-F216 WeakPolarHBondContact O-CG 3.49Å; W212-F216 PolarHBondContact O-N 2.9Å; W212-I264 HydrophobicContact CD2-CD1 4.02Å; W212-I264 HydrophobicContact CE3-CD1 3.8Å; W212-I264 HydrophobicContact CE3-CG1 4.24Å; W212-I264 HydrophobicContact CH2-CB 4.33Å; W212-I264 HydrophobicContact CH2-CD1 4.15Å; W212-I264 HydrophobicContact CH2-CG1 3.9Å; W212-I264 HydrophobicContact CH2-CG2 3.52Å; W212-I264 HydrophobicContact CZ2-CD1 4.33Å; W212-I264 HydrophobicContact CZ2-CG1 4.43Å; W212-I264 HydrophobicContact CZ2-CG2 3.56Å; W212-I264 HydrophobicContact CZ3-CD1 3.87Å; W212-I264 HydrophobicContact CZ3-CG1 3.79Å; W212-I264 HydrophobicContact CZ3-CG2 4.29Å; W212-F283 AromaticContact CH2-CD2 3.85Å; W212-F283 HydrophobicContact CH2-CD2 3.85Å; W212-F283 AromaticContact CH2-CE2 3.97Å; W212-F283 HydrophobicContact CH2-CE2 3.97Å; W212-F283 AromaticContact CZ3-CD2 3.96Å; W212-F283 HydrophobicContact CZ3-CD2 3.96Å; W212-F283 HydrophobicContact CZ3-CE2 4.19Å; W212-L286 HydrophobicContact CD2-CB 4.28Å; W212-L286 HydrophobicContact CD2-CD1 4.16Å; W212-L286 HydrophobicContact CE3-CD1 4.03Å; W212-L286 HydrophobicContact CH2-CB 3.75Å; W212-L286 HydrophobicContact CH2-CD1 4.45Å; W212-L286 HydrophobicContact CZ2-CB 3.41Å; W212-L286 VanDerWaalsContact CZ2-CB 3.41Å; W212-L286 HydrophobicContact CZ3-CB 4.31Å; W212-L286 HydrophobicContact CZ3-CD1 4.18Å; W212-K287 HydrophobicContact CH2-CG 4.34Å; W212-K287 HydrophobicContact CZ2-CG 4.41Å
213A98.5Very high98Very high6 Ų69 Ų95%0.055%0.048CC..Hα-helixtrans-62-43.7176.200000111.9V145 Y194 D209 F215 F216 M217V145-A213 HydrophobicContact CB-CB 3.79Å; V145-A213 HydrophobicContact CG1-CB 4.21Å; Y194-A213 WeakPolarHBondContact O-CA 3.46Å; Y194-A213 WeakPolarHBondContact O-CB 3.32Å; D209-A213 WeakPolarHBondContact O-CB 3.12Å; D209-A213 PolarHBondContact O-N 2.97Å; A213-F215 VanDerWaalsContact C-N 3.3Å; A213-F215 PolarHBondContact O-N 2.58Å; A213-F216 PolarHBondContact O-N 3.33Å; A213-M217 PolarHBondContact O-N 3.47Å; A213-M217 VanDerWaalsContact O-N 3.09Å
214W98.8Very high98Very high0 Ų09 Ų90%05%0.048CC..Hα-helixtrans-57-42.5170.8169.484.8000112.2A125 T128 L129 L132 V145 D210 I211 W212 F216 M217 I218 I282 I300 L304A125-W214 HydrophobicContact CB-CZ2 4.07Å; A125-W214 WeakPolarHBondContact O-CZ2 3.47Å; A125-W214 PolarHBondContact O-NE1 3.11Å; T128-W214 PolarHBondContact OG1-NE1 3.38Å; L129-W214 HydrophobicContact CB-CZ2 3.81Å; L129-W214 HydrophobicContact CD1-CD2 4.1Å; L129-W214 HydrophobicContact CD1-CE3 4.3Å; L129-W214 HydrophobicContact CD1-CH2 4.47Å; L129-W214 HydrophobicContact CD1-CZ2 4.24Å; L129-W214 HydrophobicContact CD1-CZ3 4.48Å; L129-W214 HydrophobicContact CD2-CH2 3.98Å; L129-W214 HydrophobicContact CD2-CZ2 3.91Å; L129-W214 HydrophobicContact CG-CZ2 4.22Å; L132-W214 HydrophobicContact CD1-CB 3.77Å; L132-W214 HydrophobicContact CD1-CG 4.06Å; V145-W214 HydrophobicContact CG1-CB 4.09Å; D210-W214 WeakPolarHBondContact O-CB 3.45Å; D210-W214 PolarHBondContact O-N 3.05Å; I211-W214 HydrophobicContact CG2-CE3 3.94Å; I211-W214 HydrophobicContact CG2-CZ3 4.44Å; W212-W214 PolarHBondContact O-N 3.28Å; W214-F216 PolarHBondContact O-N 3.15Å; W214-M217 WeakPolarHBondContact O-CA 3.27Å; W214-M217 WeakPolarHBondContact O-CB 3.49Å; W214-M217 PolarHBondContact O-N 2.77Å; W214-M217 VanDerWaalsContact O-N 3.13Å; W214-I218 HydrophobicContact CD2-CG2 4.31Å; W214-I218 HydrophobicContact CH2-CD1 3.65Å; W214-I218 HydrophobicContact CZ2-CD1 4.01Å; W214-I218 HydrophobicContact CZ2-CG2 3.9Å; W214-I218 HydrophobicContact CZ3-CD1 4.04Å; W214-I218 PolarHBondContact O-N 3.47Å; W214-I282 HydrophobicContact CH2-CD1 4.44Å; W214-I282 HydrophobicContact CZ3-CG2 4.03Å; W214-I300 HydrophobicContact CH2-CG2 3.29Å; W214-I300 HydrophobicContact CZ2-CG2 4.3Å; W214-I300 HydrophobicContact CZ3-CG2 3.63Å; W214-L304 HydrophobicContact CH2-CD1 4.08Å; W214-L304 HydrophobicContact CZ2-CD1 4Å
215F98.7Very high97.8Very high0 Ų010.3 Ų10.30%06%0.058CC..Hα-helixtrans-65.8-40-178-172.7-124.2000112.2I211 W212 A213 M217 I218 I219 L272 Y279 I282 F283 L286I211-F215 WeakPolarHBondContact O-CB 3.38Å; I211-F215 PolarHBondContact O-N 3.32Å; W212-F215 HydrophobicContact CE3-CD1 4.22Å; W212-F215 AromaticContact CZ3-CD1 3.95Å; W212-F215 HydrophobicContact CZ3-CD1 3.95Å; W212-F215 HydrophobicContact CZ3-CE1 4.5Å; W212-F215 PolarHBondContact O-N 3.25Å; W212-F215 VanDerWaalsContact O-N 3.12Å; A213-F215 VanDerWaalsContact C-N 3.3Å; A213-F215 PolarHBondContact O-N 2.58Å; F215-M217 VanDerWaalsContact C-N 3.28Å; F215-M217 PolarHBondContact O-N 2.97Å; F215-I218 HydrophobicContact CD2-CD1 3.69Å; F215-I218 HydrophobicContact CD2-CG1 3.85Å; F215-I218 HydrophobicContact CE2-CD1 3.98Å; F215-I218 HydrophobicContact CE2-CG1 4.33Å; F215-I218 WeakPolarHBondContact O-CG1 3.18Å; F215-I218 PolarHBondContact O-N 3.09Å; F215-I219 HydrophobicContact CD1-CD1 3.93Å; F215-I219 HydrophobicContact CE1-CD1 3.71Å; F215-I219 HydrophobicContact CG-CD1 4.46Å; F215-I219 HydrophobicContact CZ-CD1 4.04Å; F215-I219 HydrophobicContact CZ-CG1 4.41Å; F215-I219 WeakPolarHBondContact O-CG1 3.34Å; F215-I219 PolarHBondContact O-N 3.04Å; F215-I219 VanDerWaalsContact O-N 3.11Å; F215-L272 HydrophobicContact CE1-CD2 3.81Å; F215-L272 HydrophobicContact CZ-CD2 3.56Å; F215-Y279 HydrophobicContact CE2-CD2 4.11Å; F215-Y279 HydrophobicContact CE2-CG 4.29Å; F215-I282 HydrophobicContact CD2-CB 4.27Å; F215-I282 HydrophobicContact CD2-CG2 3.52Å; F215-I282 HydrophobicContact CE2-CB 3.77Å; F215-I282 HydrophobicContact CE2-CD1 4.29Å; F215-I282 HydrophobicContact CE2-CG2 3.54Å; F215-I282 HydrophobicContact CG-CG2 4.27Å; F215-I282 HydrophobicContact CZ-CB 4.3Å; F215-I282 HydrophobicContact CZ-CG2 4.28Å; F215-F283 HydrophobicContact CE1-CB 3.89Å; F215-F283 AromaticContact CE1-CD2 3.96Å; F215-F283 HydrophobicContact CE1-CD2 3.96Å; F215-F283 HydrophobicContact CE1-CG 4.42Å; F215-F283 HydrophobicContact CZ-CB 3.98Å; F215-L286 HydrophobicContact CB-CD1 3.89Å; F215-L286 HydrophobicContact CD1-CD1 4.27Å; F215-L286 HydrophobicContact CG-CD1 4.06Å
216F98.3Very high97.6Very high0 Ų09.8 Ų9.80%06%0.055CC..Hα-helixtrans-61.9-40.5172.3-56-30.5000111.5Y194 W212 A213 W214 I218 I219 E220 L226 W228 I264 L271Y194-F216 VanDerWaalsContact O-CD2 3.28Å; Y194-F216 WeakPolarHBondContact O-CD2 3.46Å; W212-F216 AromaticContact CE3-CE1 3.94Å; W212-F216 HydrophobicContact CE3-CE1 3.94Å; W212-F216 HydrophobicContact CE3-CZ 4.12Å; W212-F216 HydrophobicContact CZ3-CE1 4.41Å; W212-F216 WeakPolarHBondContact O-CD2 3.37Å; W212-F216 VanDerWaalsContact O-CG 3.31Å; W212-F216 WeakPolarHBondContact O-CG 3.49Å; W212-F216 PolarHBondContact O-N 2.9Å; A213-F216 PolarHBondContact O-N 3.33Å; W214-F216 PolarHBondContact O-N 3.15Å; F216-I218 PolarHBondContact O-N 3.44Å; F216-I219 WeakPolarHBondContact O-CB 3.28Å; F216-I219 PolarHBondContact O-N 2.98Å; F216-E220 PolarHBondContact O-N 3.46Å; F216-L226 HydrophobicContact CB-CD1 3.99Å; F216-L226 HydrophobicContact CB-CD2 3.97Å; F216-L226 WeakPolarHBondContact O-CD2 3.24Å; F216-W228 HydrophobicContact CB-CH2 4.49Å; F216-W228 HydrophobicContact CB-CZ2 4.3Å; F216-W228 AromaticContact CD1-CH2 3.68Å; F216-W228 HydrophobicContact CD1-CH2 3.68Å; F216-W228 HydrophobicContact CD1-CZ2 4.29Å; F216-W228 AromaticContact CD2-CH2 3.95Å; F216-W228 HydrophobicContact CD2-CH2 3.95Å; F216-W228 AromaticContact CD2-CZ2 3.91Å; F216-W228 HydrophobicContact CD2-CZ2 3.91Å; F216-W228 AromaticContact CE1-CH2 3.73Å; F216-W228 HydrophobicContact CE1-CH2 3.73Å; F216-W228 HydrophobicContact CE2-CH2 4.01Å; F216-W228 HydrophobicContact CE2-CZ2 4.25Å; F216-W228 AromaticContact CG-CH2 3.79Å; F216-W228 HydrophobicContact CG-CH2 3.79Å; F216-W228 AromaticContact CG-CZ2 3.93Å; F216-W228 HydrophobicContact CG-CZ2 3.93Å; F216-W228 AromaticContact CZ-CH2 3.89Å; F216-W228 HydrophobicContact CZ-CH2 3.89Å; F216-I264 HydrophobicContact CE1-CD1 4.19Å; F216-I264 HydrophobicContact CZ-CD1 3.74Å; F216-L271 HydrophobicContact CD1-CD1 4.34Å; F216-L271 HydrophobicContact CE1-CD1 4.47Å; F216-L271 HydrophobicContact CE1-CD2 4.21Å
217M97.9Very high97.4Very high0 Ų011.7 Ų11.70%07%0.068CC..Hα-helixtrans-56.8-46.8175.8-1391737300112.4T128 V145 K146 P147 F150 Y194 A213 W214 F215 I219 E220 F221T128-M217 HydrophobicContact CG2-CE 4.04Å; V145-M217 HydrophobicContact CG1-SD 4.21Å; K146-M217 VanDerWaalsContact CA-SD 3.52Å; P147-M217 HydrophobicContact CB-CG 4.47Å; P147-M217 HydrophobicContact CG-CG 3.51Å; P147-M217 HydrophobicContact CG-SD 4.02Å; F150-M217 HydrophobicContact CD2-CE 3.57Å; F150-M217 HydrophobicContact CD2-SD 4Å; F150-M217 HydrophobicContact CE2-CE 3.43Å; F150-M217 VanDerWaalsContact CE2-CE 3.43Å; F150-M217 HydrophobicContact CE2-SD 3.73Å; F150-M217 HydrophobicContact CG-CE 4.49Å; F150-M217 HydrophobicContact CZ-CE 4.21Å; Y194-M217 HydrophobicContact CD1-CG 4.47Å; Y194-M217 HydrophobicContact CE1-CG 4.29Å; A213-M217 PolarHBondContact O-N 3.47Å; A213-M217 VanDerWaalsContact O-N 3.09Å; W214-M217 WeakPolarHBondContact O-CA 3.27Å; W214-M217 WeakPolarHBondContact O-CB 3.49Å; W214-M217 PolarHBondContact O-N 2.77Å; W214-M217 VanDerWaalsContact O-N 3.13Å; F215-M217 VanDerWaalsContact C-N 3.28Å; F215-M217 PolarHBondContact O-N 2.97Å; M217-I219 VanDerWaalsContact C-N 3.34Å; M217-I219 PolarHBondContact O-N 3.08Å; M217-E220 PolarHBondContact O-N 3.48Å; M217-F221 HydrophobicContact CB-CZ 4.43Å; M217-F221 HydrophobicContact CE-CE2 3.9Å; M217-F221 HydrophobicContact CE-CZ 3.63Å; M217-F221 HydrophobicContact CG-CE1 3.99Å; M217-F221 HydrophobicContact CG-CE2 4.38Å; M217-F221 HydrophobicContact CG-CZ 3.71Å; M217-F221 VanDerWaalsContact O-CD1 3.22Å; M217-F221 WeakPolarHBondContact O-CD1 3.34Å; M217-F221 WeakPolarHBondContact O-CG 3.42Å; M217-F221 PolarHBondContact O-N 3.36Å; M217-F221 HydrophobicContact SD-CZ 4.29Å
218I98.2Very high97Very high0 Ų010.4 Ų10.40%06%0.063CC..Hα-helixtrans-73-26.6-179.571.8164.4000113.1A125 W214 F215 F216 F221 T222 Y279 I282 L304A125-I218 HydrophobicContact CB-CB 4.22Å; A125-I218 HydrophobicContact CB-CD1 4.48Å; A125-I218 HydrophobicContact CB-CG2 3.55Å; W214-I218 HydrophobicContact CD2-CG2 4.31Å; W214-I218 HydrophobicContact CH2-CD1 3.65Å; W214-I218 HydrophobicContact CZ2-CD1 4.01Å; W214-I218 HydrophobicContact CZ2-CG2 3.9Å; W214-I218 HydrophobicContact CZ3-CD1 4.04Å; W214-I218 PolarHBondContact O-N 3.47Å; F215-I218 HydrophobicContact CD2-CD1 3.69Å; F215-I218 HydrophobicContact CD2-CG1 3.85Å; F215-I218 HydrophobicContact CE2-CD1 3.98Å; F215-I218 HydrophobicContact CE2-CG1 4.33Å; F215-I218 WeakPolarHBondContact O-CG1 3.18Å; F215-I218 PolarHBondContact O-N 3.09Å; F216-I218 PolarHBondContact O-N 3.44Å; I218-F221 HydrophobicContact CG2-CD2 4.33Å; I218-T222 PolarHBondContact O-N 3.25Å; I218-T222 PolarHBondContact O-OG1 2.87Å; I218-Y279 HydrophobicContact CD1-CD2 4.29Å; I218-Y279 HydrophobicContact CD1-CE1 4.26Å; I218-Y279 HydrophobicContact CD1-CE2 3.77Å; I218-Y279 HydrophobicContact CG1-CE2 3.91Å; I218-I282 HydrophobicContact CD1-CD1 4.25Å; I218-L304 HydrophobicContact CD1-CD2 4.2Å
219I98.3Very high96.5Very high1 Ų110.8 Ų10.81%0.0057%0.066CC..Hα-helixtrans-63.6-51.8169.8-69.7164.2000108.3F215 F216 M217 F221 T222 T223 L226 L271 L272 V275 Y279F215-I219 HydrophobicContact CD1-CD1 3.93Å; F215-I219 HydrophobicContact CE1-CD1 3.71Å; F215-I219 HydrophobicContact CG-CD1 4.46Å; F215-I219 HydrophobicContact CZ-CD1 4.04Å; F215-I219 HydrophobicContact CZ-CG1 4.41Å; F215-I219 WeakPolarHBondContact O-CG1 3.34Å; F215-I219 PolarHBondContact O-N 3.04Å; F215-I219 VanDerWaalsContact O-N 3.11Å; F216-I219 WeakPolarHBondContact O-CB 3.28Å; F216-I219 PolarHBondContact O-N 2.98Å; M217-I219 VanDerWaalsContact C-N 3.34Å; M217-I219 PolarHBondContact O-N 3.08Å; I219-F221 VanDerWaalsContact C-N 3.33Å; I219-F221 PolarHBondContact O-N 2.9Å; I219-T222 WeakPolarHBondContact O-CA 3.45Å; I219-T222 WeakPolarHBondContact O-CB 3.25Å; I219-T222 PolarHBondContact O-N 3.39Å; I219-T223 HydrophobicContact CG2-CG2 4.28Å; I219-T223 PolarHBondContact O-N 2.63Å; I219-T223 PolarHBondContact O-OG1 2.94Å; I219-L226 HydrophobicContact CB-CD2 4.17Å; I219-L226 HydrophobicContact CG2-CD2 3.97Å; I219-L271 HydrophobicContact CD1-CD1 3.72Å; I219-L271 HydrophobicContact CD1-CD2 4.28Å; I219-L271 HydrophobicContact CD1-CG 3.72Å; I219-L272 HydrophobicContact CD1-CD2 4.04Å; I219-V275 HydrophobicContact CG1-CG1 4.41Å; I219-V275 HydrophobicContact CG2-CG1 4.18Å; I219-Y279 HydrophobicContact CG1-CD2 4.34Å
220E97.4Very high95.2Very high12 Ų1219.5 Ų19.56%0.05610%0.1CC..Hα-helixtrans-59-41.2178.2-175.7174.5-120.700112.7L110 Y193 Y194 F216 M217 T222 T223 G224 L226L110-E220 HydrophobicContact CD2-CG 3.95Å; Y193-E220 WeakPolarHBondContact CE1-OE1 3.38Å; Y193-E220 PolarHBondContact OH-OE1 2.96Å; Y194-E220 WeakPolarHBondContact CE1-OE2 3.48Å; Y194-E220 VanDerWaalsContact CZ-OE2 3.29Å; Y194-E220 PolarHBondContact OH-OE2 2.95Å; F216-E220 PolarHBondContact O-N 3.46Å; M217-E220 PolarHBondContact O-N 3.48Å; E220-T222 PolarHBondContact O-N 2.84Å; E220-T222 VanDerWaalsContact O-N 3.17Å; E220-T223 PolarHBondContact O-N 2.94Å; E220-G224 WeakPolarHBondContact O-CA 3.42Å; E220-G224 PolarHBondContact O-N 2.99Å; E220-L226 HydrophobicContact CB-CG 4.2Å
221F98.1Very high93.5Very high0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-54.4-37.3174-67.1-10.5000112.3V106 L110 F116 S121 L124 P147 M217 I218 I219V106-F221 HydrophobicContact CG1-CE1 3.7Å; V106-F221 HydrophobicContact CG1-CE2 4.22Å; V106-F221 HydrophobicContact CG1-CZ 3.44Å; V106-F221 VanDerWaalsContact CG1-CZ 3.44Å; L110-F221 HydrophobicContact CD1-CD1 4.42Å; L110-F221 HydrophobicContact CD2-CD1 4.24Å; L110-F221 HydrophobicContact CD2-CE1 4.35Å; F116-F221 HydrophobicContact CD2-CB 3.84Å; F116-F221 AromaticContact CD2-CD1 3.99Å; F116-F221 HydrophobicContact CD2-CD1 3.99Å; F116-F221 AromaticContact CD2-CG 3.93Å; F116-F221 HydrophobicContact CD2-CG 3.93Å; F116-F221 AromaticContact CE2-CD1 3.84Å; F116-F221 HydrophobicContact CE2-CD1 3.84Å; F116-F221 HydrophobicContact CE2-CE1 4.25Å; F116-F221 HydrophobicContact CE2-CG 4.17Å; F116-F221 PolarHBondContact N-O 3.25Å; S121-F221 PolarHBondContact OG-O 2.95Å; L124-F221 HydrophobicContact CB-CD2 4.04Å; L124-F221 HydrophobicContact CB-CE2 3.94Å; L124-F221 HydrophobicContact CD1-CD2 4.25Å; L124-F221 HydrophobicContact CD1-CE2 4.32Å; P147-F221 HydrophobicContact CB-CE1 4Å; P147-F221 HydrophobicContact CB-CZ 4.3Å; P147-F221 HydrophobicContact CG-CE1 3.8Å; P147-F221 HydrophobicContact CG-CZ 4.27Å; M217-F221 HydrophobicContact CB-CZ 4.43Å; M217-F221 HydrophobicContact CE-CE2 3.9Å; M217-F221 HydrophobicContact CE-CZ 3.63Å; M217-F221 HydrophobicContact CG-CE1 3.99Å; M217-F221 HydrophobicContact CG-CE2 4.38Å; M217-F221 HydrophobicContact CG-CZ 3.71Å; M217-F221 VanDerWaalsContact O-CD1 3.22Å; M217-F221 WeakPolarHBondContact O-CD1 3.34Å; M217-F221 WeakPolarHBondContact O-CG 3.42Å; M217-F221 PolarHBondContact O-N 3.36Å; M217-F221 HydrophobicContact SD-CZ 4.29Å; I218-F221 HydrophobicContact CG2-CD2 4.33Å; I219-F221 VanDerWaalsContact C-N 3.33Å; I219-F221 PolarHBondContact O-N 2.9Å
222T97.9Very high91.6Very high8 Ų829.8 Ų29.85%0.04916%0.155CC..Hα-helixtrans-83.1-40.3-175.2-54.50000112.5I118 I218 I219 E220 V275 Y279I118-T222 HydrophobicContact CD1-CG2 3.63Å; I218-T222 PolarHBondContact O-N 3.25Å; I218-T222 PolarHBondContact O-OG1 2.87Å; I219-T222 WeakPolarHBondContact O-CA 3.45Å; I219-T222 WeakPolarHBondContact O-CB 3.25Å; I219-T222 PolarHBondContact O-N 3.39Å; E220-T222 PolarHBondContact O-N 2.84Å; E220-T222 VanDerWaalsContact O-N 3.17Å; T222-V275 HydrophobicContact CG2-CB 4.18Å; T222-V275 HydrophobicContact CG2-CG1 3.95Å; T222-Y279 PolarHBondContact OG1-OH 3.28Å
223T96.6Very high90Very high29 Ų2929.3 Ų29.318%0.17815%0.153CC..Hα-helixtrans-103.3-17.9-170.858.20000113.7I219 E220 S225 K274 V275I219-T223 HydrophobicContact CG2-CG2 4.28Å; I219-T223 PolarHBondContact O-N 2.63Å; I219-T223 PolarHBondContact O-OG1 2.94Å; E220-T223 PolarHBondContact O-N 2.94Å; T223-S225 VanDerWaalsContact C-N 3.25Å; T223-S225 PolarHBondContact OG1-N 3.12Å; T223-S225 PolarHBondContact OG1-O 2.93Å; T223-K274 HydrophobicContact CG2-CB 4.42Å; T223-V275 HydrophobicContact CG2-CG1 3.65Å
224G94.9Very high87.9Confident22 Ų2232.3 Ų32.323%0.22717%0.169CC..SBendtrans79.8-3-171.400000115.1G114 E220G114-G224 WeakPolarHBondContact O-CA 3.3Å; E220-G224 WeakPolarHBondContact O-CA 3.42Å; E220-G224 PolarHBondContact O-N 2.99Å
225S93.5Very high85.5Confident34 Ų3434.4 Ų34.424%0.23818%0.181CC..SBendtrans-162.8158.3-179.260.60000113.5T223T223-S225 VanDerWaalsContact C-N 3.25Å; T223-S225 PolarHBondContact OG1-N 3.12Å; T223-S225 PolarHBondContact OG1-O 2.93Å
226L94.1Very high82.9Confident1 Ų139 Ų391%0.00521%0.213CC..  trans-98.7152.9168.9-71.4163.6000111.4Y193 Y194 F216 I219 E220 W228 Q229Y193-L226 HydrophobicContact CD1-CD1 4.33Å; Y193-L226 HydrophobicContact CE1-CD1 3.75Å; Y194-L226 HydrophobicContact CD1-CD1 4.19Å; Y194-L226 HydrophobicContact CE1-CD1 4.16Å; F216-L226 HydrophobicContact CB-CD1 3.99Å; F216-L226 HydrophobicContact CB-CD2 3.97Å; F216-L226 WeakPolarHBondContact O-CD2 3.24Å; I219-L226 HydrophobicContact CB-CD2 4.17Å; I219-L226 HydrophobicContact CG2-CD2 3.97Å; E220-L226 HydrophobicContact CB-CG 4.2Å; L226-W228 HydrophobicContact CB-CD2 4.19Å; L226-W228 HydrophobicContact CB-CZ2 4.09Å; L226-W228 HydrophobicContact CD1-CZ2 3.7Å; L226-W228 HydrophobicContact CD2-CH2 4.23Å; L226-W228 HydrophobicContact CD2-CZ2 4.05Å; L226-W228 HydrophobicContact CG-CZ2 4.16Å; L226-W228 PolarHBondContact O-N 2.75Å; L226-Q229 WeakPolarHBondContact O-CB 3.3Å; L226-Q229 PolarHBondContact O-N 2.77Å
227P92.3Very high80.3Confident39 Ų3945.7 Ų45.725%0.25324%0.244SC..THydrogen-bonded Turntrans-54.1-30.5-177.7-2834.9000114.5L263 E270 L271P227-L263 HydrophobicContact CB-CD1 4.39Å; P227-E270 HydrophobicContact CB-CG 4.28Å; P227-E270 HydrophobicContact CG-CG 4.49Å; P227-L271 HydrophobicContact CG-CD1 4.24Å
228W91.7Very high78.1Confident7 Ų747.6 Ų47.63%0.02725%0.253CS..THydrogen-bonded Turntrans-92.47-177.755.772.7000114.8Y193 F216 L226 Y230 N231 Y233 R260 L263 L271Y193-W228 AromaticContact CD2-CD1 3.87Å; Y193-W228 AromaticContact CD2-NE1 3.82Å; Y193-W228 AromaticContact CE2-CD1 3.83Å; Y193-W228 AromaticContact CE2-NE1 3.85Å; Y193-W228 PolarHBondContact O-NE1 3.48Å; F216-W228 HydrophobicContact CB-CH2 4.49Å; F216-W228 HydrophobicContact CB-CZ2 4.3Å; F216-W228 AromaticContact CD1-CH2 3.68Å; F216-W228 HydrophobicContact CD1-CH2 3.68Å; F216-W228 HydrophobicContact CD1-CZ2 4.29Å; F216-W228 AromaticContact CD2-CH2 3.95Å; F216-W228 HydrophobicContact CD2-CH2 3.95Å; F216-W228 AromaticContact CD2-CZ2 3.91Å; F216-W228 HydrophobicContact CD2-CZ2 3.91Å; F216-W228 AromaticContact CE1-CH2 3.73Å; F216-W228 HydrophobicContact CE1-CH2 3.73Å; F216-W228 HydrophobicContact CE2-CH2 4.01Å; F216-W228 HydrophobicContact CE2-CZ2 4.25Å; F216-W228 AromaticContact CG-CH2 3.79Å; F216-W228 HydrophobicContact CG-CH2 3.79Å; F216-W228 AromaticContact CG-CZ2 3.93Å; F216-W228 HydrophobicContact CG-CZ2 3.93Å; F216-W228 AromaticContact CZ-CH2 3.89Å; F216-W228 HydrophobicContact CZ-CH2 3.89Å; L226-W228 HydrophobicContact CB-CD2 4.19Å; L226-W228 HydrophobicContact CB-CZ2 4.09Å; L226-W228 HydrophobicContact CD1-CZ2 3.7Å; L226-W228 HydrophobicContact CD2-CH2 4.23Å; L226-W228 HydrophobicContact CD2-CZ2 4.05Å; L226-W228 HydrophobicContact CG-CZ2 4.16Å; L226-W228 PolarHBondContact O-N 2.75Å; W228-Y230 PolarHBondContact O-N 3.27Å; W228-N231 PolarHBondContact O-N 2.86Å; W228-Y233 HydrophobicContact CB-CD2 3.79Å; W228-Y233 HydrophobicContact CB-CE2 4.18Å; W228-Y233 HydrophobicContact CG-CD2 4.25Å; W228-R260 HydrophobicContact CD2-CG 4.31Å; W228-R260 VanDerWaalsContact CE2-NE 3.34Å; W228-R260 HydrophobicContact CE3-CG 3.98Å; W228-R260 HydrophobicContact CH2-CG 4.1Å; W228-R260 HydrophobicContact CZ2-CG 4.42Å; W228-R260 VanDerWaalsContact CZ2-NE 3.32Å; W228-R260 HydrophobicContact CZ3-CG 3.88Å; W228-L263 HydrophobicContact CE3-CD1 3.52Å; W228-L263 HydrophobicContact CZ3-CD1 3.63Å; W228-L271 HydrophobicContact CH2-CD1 4.22Å; W228-L271 HydrophobicContact CZ3-CD1 4.03Å
229Q86Confident75.6Confident48 Ų4850.7 Ų50.722%0.22427%0.272CS..G310 helixtrans-55.8-39.9178.4-168.7-176.95.300112.2Y193 L226 N231 D234Y193-Q229 HydrophobicContact CE2-CB 4.24Å; Y193-Q229 HydrophobicContact CE2-CG 4.32Å; L226-Q229 WeakPolarHBondContact O-CB 3.3Å; L226-Q229 PolarHBondContact O-N 2.77Å; Q229-N231 VanDerWaalsContact C-N 3.27Å; Q229-N231 PolarHBondContact O-N 3.4Å; Q229-D234 HydrophobicContact CG-CB 3.88Å; Q229-D234 PolarHBondContact NE2-OD2 2.78Å
230Y71.5Confident73.2Confident186 Ų18656.4 Ų56.473%0.72930%0.303SS*.G310 helixtrans-77.4-4.4-176.2-56.5-66.1000114.8W228 N232W228-Y230 PolarHBondContact O-N 3.27Å; Y230-N232 PolarHBondContact O-N 2.86Å; Y230-N232 VanDerWaalsContact O-N 3.12Å
231N63.7Low70.7Confident76 Ų7660.5 Ų60.541%0.40633%0.328SS..G310 helixtrans-8016178.9-66.722.9000112.7W228 Q229 Y233W228-N231 PolarHBondContact O-N 2.86Å; Q229-N231 VanDerWaalsContact C-N 3.27Å; Q229-N231 PolarHBondContact O-N 3.4Å; N231-Y233 HydrophobicContact CB-CD1 3.83Å; N231-Y233 HydrophobicContact CB-CD2 3.63Å; N231-Y233 HydrophobicContact CB-CE1 3.7Å; N231-Y233 HydrophobicContact CB-CE2 3.47Å; N231-Y233 VanDerWaalsContact CB-CE2 3.47Å; N231-Y233 HydrophobicContact CB-CG 3.79Å; N231-Y233 VanDerWaalsContact O-CD1 3.23Å; N231-Y233 WeakPolarHBondContact O-CD1 3.44Å; N231-Y233 WeakPolarHBondContact O-CE1 3.36Å; N231-Y233 PolarHBondContact O-N 3.23Å
232N58.9Low68.3Low142 Ų14263.2 Ų63.276%0.75934%0.342SS*.THydrogen-bonded Turntrans54.130.6-165.1-63.8-28.4000112.5Y230Y230-N232 PolarHBondContact O-N 2.86Å; Y230-N232 VanDerWaalsContact O-N 3.12Å
233Y64.8Low66.3Low4 Ų464.1 Ų64.12%0.01635%0.347CS..THydrogen-bonded Turntrans-90.1-14173-58.4-16.6000112W228 N231 V235 M256 D259W228-Y233 HydrophobicContact CB-CD2 3.79Å; W228-Y233 HydrophobicContact CB-CE2 4.18Å; W228-Y233 HydrophobicContact CG-CD2 4.25Å; N231-Y233 HydrophobicContact CB-CD1 3.83Å; N231-Y233 HydrophobicContact CB-CD2 3.63Å; N231-Y233 HydrophobicContact CB-CE1 3.7Å; N231-Y233 HydrophobicContact CB-CE2 3.47Å; N231-Y233 VanDerWaalsContact CB-CE2 3.47Å; N231-Y233 HydrophobicContact CB-CG 3.79Å; N231-Y233 VanDerWaalsContact O-CD1 3.23Å; N231-Y233 WeakPolarHBondContact O-CD1 3.44Å; N231-Y233 WeakPolarHBondContact O-CE1 3.36Å; N231-Y233 PolarHBondContact O-N 3.23Å; Y233-V235 VanDerWaalsContact O-CG2 3.3Å; Y233-V235 WeakPolarHBondContact O-CG2 3.48Å; Y233-V235 PolarHBondContact O-N 2.62Å; Y233-M256 HydrophobicContact CD1-CE 3.3Å; Y233-M256 HydrophobicContact CD1-CG 3.88Å; Y233-M256 HydrophobicContact CD1-SD 4.26Å; Y233-M256 HydrophobicContact CD2-CG 3.9Å; Y233-M256 HydrophobicContact CE1-CE 3.78Å; Y233-M256 HydrophobicContact CE1-CG 3.65Å; Y233-M256 HydrophobicContact CE2-CB 4.31Å; Y233-M256 HydrophobicContact CE2-CG 3.72Å; Y233-M256 HydrophobicContact CG-CE 3.8Å; Y233-M256 HydrophobicContact CG-CG 4.01Å; Y233-M256 HydrophobicContact CG-SD 4.34Å; Y233-D259 PolarHBondContact OH-OD2 3.11Å
234D53.5Low64.4Low70 Ų7065.7 Ų65.737%0.37437%0.369SS..  trans-7276.7167.4-168-5.2000108.8Y193 Q229Y193-D234 HydrophobicContact CE2-CB 4.4Å; Q229-D234 HydrophobicContact CG-CB 3.88Å; Q229-D234 PolarHBondContact NE2-OD2 2.78Å
235V49.3Very low63Low43 Ų4370.6 Ų70.626%0.26139%0.39SS..  trans-113.669.6172.6-117.90000103.1Y233 H237 F238 L242Y233-V235 VanDerWaalsContact O-CG2 3.3Å; Y233-V235 WeakPolarHBondContact O-CG2 3.48Å; Y233-V235 PolarHBondContact O-N 2.62Å; V235-H237 PolarHBondContact O-N 2.81Å; V235-F238 HydrophobicContact CB-CD2 3.44Å; V235-F238 VanDerWaalsContact CB-CD2 3.44Å; V235-F238 HydrophobicContact CB-CE2 3.65Å; V235-F238 HydrophobicContact CB-CG 3.94Å; V235-F238 HydrophobicContact CB-CZ 4.23Å; V235-F238 HydrophobicContact CG2-CD2 3.28Å; V235-F238 HydrophobicContact CG2-CE1 4.43Å; V235-F238 HydrophobicContact CG2-CE2 2.96Å; V235-F238 HydrophobicContact CG2-CG 4.19Å; V235-F238 HydrophobicContact CG2-CZ 3.6Å; V235-F238 PolarHBondContact O-N 3.24Å; V235-L242 HydrophobicContact CG1-CD1 3.9Å
236S45.1Very low61.8Low96 Ų9671.5 Ų71.567%0.67139%0.392SS*.THydrogen-bonded Turntrans-51.6-6172.653.40000113.1
237H43.3Very low61.1Low141 Ų14180.4 Ų80.465%0.65343%0.433SS*.THydrogen-bonded Turntrans-123.629176.6-62.311000113V235 T239 L242V235-H237 PolarHBondContact O-N 2.81Å; H237-T239 PolarHBondContact O-N 3.39Å; H237-L242 VanDerWaalsContact C-CD1 3.47Å; H237-L242 HydrophobicContact CB-CD1 4.16Å; H237-L242 WeakPolarHBondContact O-CD1 2.95Å; H237-L242 VanDerWaalsContact O-CG 3.3Å; H237-L242 WeakPolarHBondContact O-CG 3.17Å
238F50Low60.8Low40 Ų4083 Ų8318%0.17545%0.445CS..  trans-60.680.2162.7-93.3-53.5000110.1P192 V235 L242 L243 I246 M256P192-F238 HydrophobicContact CB-CD2 4.15Å; P192-F238 HydrophobicContact CB-CE2 4.1Å; P192-F238 HydrophobicContact CG-CD2 3.78Å; P192-F238 HydrophobicContact CG-CE2 4.02Å; P192-F238 HydrophobicContact CG-CG 4.31Å; V235-F238 HydrophobicContact CB-CD2 3.44Å; V235-F238 VanDerWaalsContact CB-CD2 3.44Å; V235-F238 HydrophobicContact CB-CE2 3.65Å; V235-F238 HydrophobicContact CB-CG 3.94Å; V235-F238 HydrophobicContact CB-CZ 4.23Å; V235-F238 HydrophobicContact CG2-CD2 3.28Å; V235-F238 HydrophobicContact CG2-CE1 4.43Å; V235-F238 HydrophobicContact CG2-CE2 2.96Å; V235-F238 HydrophobicContact CG2-CG 4.19Å; V235-F238 HydrophobicContact CG2-CZ 3.6Å; V235-F238 PolarHBondContact O-N 3.24Å; F238-L242 HydrophobicContact CD1-CB 3.75Å; F238-L242 HydrophobicContact CE1-CB 4.23Å; F238-L243 HydrophobicContact CD1-CB 4.48Å; F238-L243 HydrophobicContact CD1-CD2 3.96Å; F238-L243 HydrophobicContact CD1-CG 3.62Å; F238-L243 HydrophobicContact CE1-CB 4.45Å; F238-L243 HydrophobicContact CE1-CD2 3.49Å; F238-L243 VanDerWaalsContact CE1-CD2 3.49Å; F238-L243 HydrophobicContact CE1-CG 3.65Å; F238-L243 HydrophobicContact CZ-CD2 3.98Å; F238-I246 HydrophobicContact CE1-CD1 3.45Å; F238-I246 VanDerWaalsContact CE1-CD1 3.45Å; F238-I246 HydrophobicContact CZ-CD1 3.49Å; F238-I246 VanDerWaalsContact CZ-CD1 3.49Å; F238-M256 HydrophobicContact CE2-CE 4.29Å; F238-M256 HydrophobicContact CZ-CE 4.5Å
239T46Very low60.5Low66 Ų6684.9 Ų84.941%0.40546%0.458SS..  trans-72.7160.5149.858.70000107.3H237 T241 L242H237-T239 PolarHBondContact O-N 3.39Å; T239-T241 PolarHBondContact O-N 2.89Å; T239-T241 WeakPolarHBondContact OG1-CB 3.35Å; T239-T241 PolarHBondContact OG1-N 3.08Å; T239-T241 PolarHBondContact OG1-OG1 3.17Å; T239-L242 PolarHBondContact O-N 2.77Å
240D48.7Very low60.7Low121 Ų12186.6 Ų86.665%0.64747%0.472SS*.Hα-helixtrans-48.5-26.3168.9-74.7-30.9000111.6G244D240-G244 PolarHBondContact O-N 2.79Å
241T45.8Very low61.6Low97 Ų9780 Ų8060%0.59546%0.456SS*.Hα-helixtrans-62.9-40.5174.1-35.20000114.4T239 G244 N245T239-T241 PolarHBondContact O-N 2.89Å; T239-T241 WeakPolarHBondContact OG1-CB 3.35Å; T239-T241 PolarHBondContact OG1-N 3.08Å; T239-T241 PolarHBondContact OG1-OG1 3.17Å; T241-G244 PolarHBondContact O-N 3.25Å; T241-N245 PolarHBondContact O-N 3.47Å
242L47.6Very low62.9Low57 Ų5779.4 Ų79.430%0.29845%0.449SS..Hα-helixtrans-76.3-35.5179.3-75.8-167.2000112.3V235 H237 F238 T239 G244 N245 I246V235-L242 HydrophobicContact CG1-CD1 3.9Å; H237-L242 VanDerWaalsContact C-CD1 3.47Å; H237-L242 HydrophobicContact CB-CD1 4.16Å; H237-L242 WeakPolarHBondContact O-CD1 2.95Å; H237-L242 VanDerWaalsContact O-CG 3.3Å; H237-L242 WeakPolarHBondContact O-CG 3.17Å; F238-L242 HydrophobicContact CD1-CB 3.75Å; F238-L242 HydrophobicContact CE1-CB 4.23Å; T239-L242 PolarHBondContact O-N 2.77Å; L242-G244 PolarHBondContact O-N 3.09Å; L242-N245 PolarHBondContact O-N 3.46Å; L242-N245 VanDerWaalsContact O-N 3.1Å; L242-I246 PolarHBondContact O-N 3.31Å
243L54.4Low64.4Low28 Ų2873 Ų7315%0.14742%0.415CS..Hα-helixtrans-60.4-35.8169.5-77.8168.6000110.5F238 N245 I246 P249F238-L243 HydrophobicContact CD1-CB 4.48Å; F238-L243 HydrophobicContact CD1-CD2 3.96Å; F238-L243 HydrophobicContact CD1-CG 3.62Å; F238-L243 HydrophobicContact CE1-CB 4.45Å; F238-L243 HydrophobicContact CE1-CD2 3.49Å; F238-L243 VanDerWaalsContact CE1-CD2 3.49Å; F238-L243 HydrophobicContact CE1-CG 3.65Å; F238-L243 HydrophobicContact CZ-CD2 3.98Å; L243-N245 PolarHBondContact O-N 2.94Å; L243-I246 PolarHBondContact O-N 2.99Å; L243-P249 HydrophobicContact CB-CB 4.37Å; L243-P249 HydrophobicContact CD2-CB 4Å
244G56.3Low65.8Low62 Ų6274.3 Ų74.364%0.63943%0.426SS*.Hα-helixtrans-63-22.1173.900000115.2D240 T241 L242D240-G244 PolarHBondContact O-N 2.79Å; T241-G244 PolarHBondContact O-N 3.25Å; L242-G244 PolarHBondContact O-N 3.09Å
245N66Low67.7Low125 Ų12575.2 Ų75.267%0.66843%0.429SS*.THydrogen-bonded Turntrans-93.2-8178.1-68.2-26000113.5T241 L242 L243T241-N245 PolarHBondContact O-N 3.47Å; L242-N245 PolarHBondContact O-N 3.46Å; L242-N245 VanDerWaalsContact O-N 3.1Å; L243-N245 PolarHBondContact O-N 2.94Å
246I69.7Low69.8Low53 Ų5373.3 Ų73.327%0.27242%0.417SS..SBendtrans-84.4130.3177.3-68.2178000108.5F238 L242 L243 D248 P249 K252F238-I246 HydrophobicContact CE1-CD1 3.45Å; F238-I246 VanDerWaalsContact CE1-CD1 3.45Å; F238-I246 HydrophobicContact CZ-CD1 3.49Å; F238-I246 VanDerWaalsContact CZ-CD1 3.49Å; L242-I246 PolarHBondContact O-N 3.31Å; L243-I246 PolarHBondContact O-N 2.99Å; I246-D248 PolarHBondContact O-N 3.49Å; I246-P249 WeakPolarHBondContact O-CD 3.48Å; I246-K252 HydrophobicContact CG2-CB 4.08Å; I246-K252 HydrophobicContact CG2-CG 4.35Å
247E77.6Confident72.2Confident188 Ų18868.7 Ų68.788%0.87939%0.385SS*.SBendtrans-63.5118.1166.1-171.7176.1-172.500108.9
248D86.9Confident74.7Confident94 Ų9466.4 Ų66.450%0.50338%0.377SS..SBendtrans51.975.3-175.3-164.8-11.4000114.1I246 V250 A251 K252I246-D248 PolarHBondContact O-N 3.49Å; D248-V250 PolarHBondContact O-N 3.31Å; D248-V250 VanDerWaalsContact O-N 3.17Å; D248-V250 PolarHBondContact OD1-N 2.82Å; D248-A251 HydrophobicContact CB-CB 4.07Å; D248-A251 PolarHBondContact O-N 3.31Å; D248-A251 PolarHBondContact OD1-N 3.03Å; D248-A251 VanDerWaalsContact OD2-CB 3.27Å; D248-A251 WeakPolarHBondContact OD2-CB 3.3Å; D248-K252 PolarHBondContact O-N 2.82Å; D248-K252 VanDerWaalsContact O-N 3.13Å
249P85.7Confident76.8Confident45 Ų4567.2 Ų67.229%0.29238%0.383SS..Hα-helixtrans-61.3-26.6179.124.8-33.1000112.5L243 I246 K252 L253L243-P249 HydrophobicContact CB-CB 4.37Å; L243-P249 HydrophobicContact CD2-CB 4Å; I246-P249 WeakPolarHBondContact O-CD 3.48Å; P249-K252 PolarHBondContact O-N 3.36Å; P249-L253 WeakPolarHBondContact O-CB 3.38Å; P249-L253 VanDerWaalsContact O-CG 3.24Å; P249-L253 WeakPolarHBondContact O-CG 3.48Å; P249-L253 PolarHBondContact O-N 2.74Å
250V89Confident79.1Confident85 Ų8564 Ų6452%0.51536%0.364SS..Hα-helixtrans-70.4-47.7179.21760000110.4M202 D248 K252 L253 A254M202-V250 HydrophobicContact CE-CG1 4.38Å; D248-V250 PolarHBondContact O-N 3.31Å; D248-V250 VanDerWaalsContact O-N 3.17Å; D248-V250 PolarHBondContact OD1-N 2.82Å; V250-K252 VanDerWaalsContact C-N 3.27Å; V250-K252 PolarHBondContact O-N 3.36Å; V250-L253 PolarHBondContact O-N 3.16Å; V250-A254 WeakPolarHBondContact O-CB 3.33Å; V250-A254 PolarHBondContact O-N 3.38Å
251A91.4Very high81.4Confident48 Ų4860.7 Ų60.740%0.39735%0.345SS..Hα-helixtrans-60.9-37.9174.800000111.8D248 A254 Q255D248-A251 HydrophobicContact CB-CB 4.07Å; D248-A251 PolarHBondContact O-N 3.31Å; D248-A251 PolarHBondContact OD1-N 3.03Å; D248-A251 VanDerWaalsContact OD2-CB 3.27Å; D248-A251 WeakPolarHBondContact OD2-CB 3.3Å; A251-A254 PolarHBondContact O-N 2.88Å; A251-Q255 PolarHBondContact O-N 3.3Å
252K90.1Very high83.7Confident62 Ų6259.1 Ų59.127%0.2734%0.341SS..Hα-helixtrans-64.8-44.8177-171.259172.3179.30112.6I246 D248 P249 V250 A254 Q255 M256I246-K252 HydrophobicContact CG2-CB 4.08Å; I246-K252 HydrophobicContact CG2-CG 4.35Å; D248-K252 PolarHBondContact O-N 2.82Å; D248-K252 VanDerWaalsContact O-N 3.13Å; P249-K252 PolarHBondContact O-N 3.36Å; V250-K252 VanDerWaalsContact C-N 3.27Å; V250-K252 PolarHBondContact O-N 3.36Å; K252-A254 VanDerWaalsContact C-N 3.32Å; K252-Q255 WeakPolarHBondContact O-CB 3.33Å; K252-Q255 PolarHBondContact O-N 2.69Å; K252-M256 HydrophobicContact CD-CE 4.46Å; K252-M256 HydrophobicContact CG-CE 3.93Å; K252-M256 WeakPolarHBondContact O-CG 3.37Å; K252-M256 PolarHBondContact O-N 3Å; K252-M256 VanDerWaalsContact O-N 3.1Å
253L92.1Very high85.9Confident9 Ų958.4 Ų58.45%0.04734%0.337CS..Hα-helixtrans-62.5-40.8174.4-70.6169.5000111.1F188 P192 L200 M202 P249 V250 Q255 M256 G257F188-L253 HydrophobicContact CB-CD1 3.99Å; F188-L253 HydrophobicContact CD1-CD1 3.96Å; F188-L253 HydrophobicContact CD1-CD2 4.35Å; F188-L253 HydrophobicContact CE1-CD2 4.31Å; F188-L253 HydrophobicContact CG-CD1 3.93Å; F188-L253 HydrophobicContact CG-CD2 4.5Å; F188-L253 HydrophobicContact CZ-CD2 4.41Å; P192-L253 HydrophobicContact CB-CD2 3.98Å; P192-L253 HydrophobicContact CG-CD2 3.93Å; L200-L253 HydrophobicContact CD2-CD2 3.81Å; M202-L253 HydrophobicContact CE-CB 4.15Å; M202-L253 HydrophobicContact CE-CD1 3.69Å; P249-L253 WeakPolarHBondContact O-CB 3.38Å; P249-L253 VanDerWaalsContact O-CG 3.24Å; P249-L253 WeakPolarHBondContact O-CG 3.48Å; P249-L253 PolarHBondContact O-N 2.74Å; V250-L253 PolarHBondContact O-N 3.16Å; L253-Q255 PolarHBondContact O-N 2.97Å; L253-M256 HydrophobicContact CD2-SD 4.27Å; L253-M256 WeakPolarHBondContact O-CB 3.47Å; L253-M256 PolarHBondContact O-N 3.38Å; L253-G257 PolarHBondContact O-N 3.34Å
254A93.8Very high87.8Confident30 Ų3057.6 Ų57.625%0.24833%0.333CS..Hα-helixtrans-62.4-40.9176.400000112.4L201 V250 A251 K252 G257 N258L201-A254 HydrophobicContact CD2-CB 4.24Å; V250-A254 WeakPolarHBondContact O-CB 3.33Å; V250-A254 PolarHBondContact O-N 3.38Å; A251-A254 PolarHBondContact O-N 2.88Å; K252-A254 VanDerWaalsContact C-N 3.32Å; A254-G257 PolarHBondContact O-N 3.28Å; A254-N258 VanDerWaalsContact O-CG 3.32Å; A254-N258 PolarHBondContact O-N 2.95Å; A254-N258 PolarHBondContact O-ND2 2.99Å
255Q93.4Very high89.6Confident90 Ų9060.9 Ų60.942%0.42133%0.332SS..Hα-helixtrans-57.5-51.1172.6-176.1-177.228.700111.1A251 K252 L253 G257 N258 D259A251-Q255 PolarHBondContact O-N 3.3Å; K252-Q255 WeakPolarHBondContact O-CB 3.33Å; K252-Q255 PolarHBondContact O-N 2.69Å; L253-Q255 PolarHBondContact O-N 2.97Å; Q255-G257 VanDerWaalsContact C-N 3.26Å; Q255-G257 PolarHBondContact O-N 3.5Å; Q255-N258 PolarHBondContact O-N 3.31Å; Q255-D259 VanDerWaalsContact O-CG 3.27Å; Q255-D259 PolarHBondContact O-N 3.17Å
256M93.9Very high90.9Very high2 Ų256.5 Ų56.51%0.0132%0.316CS..Hα-helixtrans-58.9-38.7176.6-65.5172.4-17800112.2P192 L200 Y233 F238 K252 L253 R260P192-M256 HydrophobicContact CB-SD 4.02Å; L200-M256 HydrophobicContact CD1-CB 4.39Å; L200-M256 HydrophobicContact CD2-CB 4.21Å; L200-M256 HydrophobicContact CD2-SD 4.47Å; Y233-M256 HydrophobicContact CD1-CE 3.3Å; Y233-M256 HydrophobicContact CD1-CG 3.88Å; Y233-M256 HydrophobicContact CD1-SD 4.26Å; Y233-M256 HydrophobicContact CD2-CG 3.9Å; Y233-M256 HydrophobicContact CE1-CE 3.78Å; Y233-M256 HydrophobicContact CE1-CG 3.65Å; Y233-M256 HydrophobicContact CE2-CB 4.31Å; Y233-M256 HydrophobicContact CE2-CG 3.72Å; Y233-M256 HydrophobicContact CG-CE 3.8Å; Y233-M256 HydrophobicContact CG-CG 4.01Å; Y233-M256 HydrophobicContact CG-SD 4.34Å; F238-M256 HydrophobicContact CE2-CE 4.29Å; F238-M256 HydrophobicContact CZ-CE 4.5Å; K252-M256 HydrophobicContact CD-CE 4.46Å; K252-M256 HydrophobicContact CG-CE 3.93Å; K252-M256 WeakPolarHBondContact O-CG 3.37Å; K252-M256 PolarHBondContact O-N 3Å; K252-M256 VanDerWaalsContact O-N 3.1Å; L253-M256 HydrophobicContact CD2-SD 4.27Å; L253-M256 WeakPolarHBondContact O-CB 3.47Å; L253-M256 PolarHBondContact O-N 3.38Å; M256-R260 WeakPolarHBondContact O-CG 3.07Å; M256-R260 PolarHBondContact O-N 2.8Å; M256-R260 VanDerWaalsContact O-N 3.13Å
257G95.2Very high91.9Very high0 Ų058.9 Ų58.90%033%0.329CS..Hα-helixtrans-62.4-46.6176.600000112.3L253 A254 Q255 R260 Q261L253-G257 PolarHBondContact O-N 3.34Å; A254-G257 PolarHBondContact O-N 3.28Å; Q255-G257 VanDerWaalsContact C-N 3.26Å; Q255-G257 PolarHBondContact O-N 3.5Å; G257-R260 PolarHBondContact O-N 2.78Å; G257-Q261 VanDerWaalsContact O-CB 3.3Å; G257-Q261 WeakPolarHBondContact O-CB 3.48Å; G257-Q261 PolarHBondContact O-N 3.37Å
258N96.1Very high92.5Very high92 Ų9250.1 Ų50.149%0.49229%0.289SS..Hα-helixtrans-65.1-43.7177.5-69.7-34.5000112.4A254 Q255 R260 Q261 A262A254-N258 VanDerWaalsContact O-CG 3.32Å; A254-N258 PolarHBondContact O-N 2.95Å; A254-N258 PolarHBondContact O-ND2 2.99Å; Q255-N258 PolarHBondContact O-N 3.31Å; N258-R260 VanDerWaalsContact C-N 3.32Å; N258-R260 PolarHBondContact O-N 2.88Å; N258-Q261 PolarHBondContact O-N 2.84Å; N258-A262 PolarHBondContact O-N 3.13Å
259D93.4Very high92.7Very high57 Ų5752.9 Ų52.931%0.30530%0.299SS..Hα-helixtrans-56.5-47.1176.2-67.9-15.4000110.8Y233 Q255 A262 L263Y233-D259 PolarHBondContact OH-OD2 3.11Å; Q255-D259 VanDerWaalsContact O-CG 3.27Å; Q255-D259 PolarHBondContact O-N 3.17Å; D259-A262 PolarHBondContact O-N 3.1Å; D259-L263 PolarHBondContact O-N 3.2Å
260R94.4Very high93.1Very high0 Ų055.1 Ų55.10%031%0.306CS..Hα-helixtrans-69.1-37.3177.5-70.7-176.2179.5107.2-1.8112.9P192 Y193 A195 P197 W228 M256 G257 N258 A262 L263 I264P192-R260 PolarHBondContact O-NH1 3.03Å; P192-R260 PolarHBondContact O-NH2 3.39Å; Y193-R260 VanDerWaalsContact CA-NH2 3.33Å; Y193-R260 PolarHBondContact O-NH2 2.92Å; A195-R260 WeakPolarHBondContact O-CD 3.38Å; P197-R260 HydrophobicContact CG-CB 3.85Å; W228-R260 HydrophobicContact CD2-CG 4.31Å; W228-R260 VanDerWaalsContact CE2-NE 3.34Å; W228-R260 HydrophobicContact CE3-CG 3.98Å; W228-R260 HydrophobicContact CH2-CG 4.1Å; W228-R260 HydrophobicContact CZ2-CG 4.42Å; W228-R260 VanDerWaalsContact CZ2-NE 3.32Å; W228-R260 HydrophobicContact CZ3-CG 3.88Å; M256-R260 WeakPolarHBondContact O-CG 3.07Å; M256-R260 PolarHBondContact O-N 2.8Å; M256-R260 VanDerWaalsContact O-N 3.13Å; G257-R260 PolarHBondContact O-N 2.78Å; N258-R260 VanDerWaalsContact C-N 3.32Å; N258-R260 PolarHBondContact O-N 2.88Å; R260-A262 VanDerWaalsContact C-N 3.29Å; R260-A262 PolarHBondContact O-N 3.44Å; R260-L263 PolarHBondContact O-N 3.12Å; R260-I264 WeakPolarHBondContact O-CG1 3.47Å; R260-I264 PolarHBondContact O-N 3Å
261Q96.1Very high93.4Very high51 Ų5151.2 Ų51.224%0.23828%0.282CS..Hα-helixtrans-60.9-40.8177.3-171.860.572.300111.2P197 G257 N258 I264 Q265P197-Q261 HydrophobicContact CB-CB 4.14Å; G257-Q261 VanDerWaalsContact O-CB 3.3Å; G257-Q261 WeakPolarHBondContact O-CB 3.48Å; G257-Q261 PolarHBondContact O-N 3.37Å; N258-Q261 PolarHBondContact O-N 2.84Å; Q261-I264 PolarHBondContact O-N 3.29Å; Q261-Q265 WeakPolarHBondContact O-CB 3.08Å; Q261-Q265 WeakPolarHBondContact O-CG 3.46Å; Q261-Q265 PolarHBondContact O-N 3.35Å
262A94.9Very high93.6Very high63 Ų6349.7 Ų49.752%0.52127%0.267SS..Hα-helixtrans-63-45.4175.600000112N258 D259 R260 I264 Q265 G266N258-A262 PolarHBondContact O-N 3.13Å; D259-A262 PolarHBondContact O-N 3.1Å; R260-A262 VanDerWaalsContact C-N 3.29Å; R260-A262 PolarHBondContact O-N 3.44Å; A262-I264 VanDerWaalsContact C-N 3.33Å; A262-I264 PolarHBondContact O-N 3.24Å; A262-Q265 PolarHBondContact O-N 3.07Å; A262-G266 PolarHBondContact O-N 2.91Å; A262-G266 VanDerWaalsContact O-N 3.13Å
263L94Very high93.9Very high42 Ų4251.8 Ų51.822%0.2228%0.276CS..Hα-helixtrans-60.9-39.8176.4-70.5169.7000112.7P227 W228 D259 R260 E270P227-L263 HydrophobicContact CB-CD1 4.39Å; W228-L263 HydrophobicContact CE3-CD1 3.52Å; W228-L263 HydrophobicContact CZ3-CD1 3.63Å; D259-L263 PolarHBondContact O-N 3.2Å; R260-L263 PolarHBondContact O-N 3.12Å; L263-E270 HydrophobicContact CD2-CB 4.15Å; L263-E270 HydrophobicContact CD2-CG 4.4Å
264I94.7Very high94Very high11 Ų1160.1 Ų60.16%0.05631%0.312CS..Hα-helixtrans-76.5-34-179.7-71.8165.8000112.4P197 W212 F216 R260 Q261 A262 G266 F283 K287P197-I264 HydrophobicContact CG-CD1 3.48Å; P197-I264 VanDerWaalsContact CG-CD1 3.48Å; W212-I264 HydrophobicContact CD2-CD1 4.02Å; W212-I264 HydrophobicContact CE3-CD1 3.8Å; W212-I264 HydrophobicContact CE3-CG1 4.24Å; W212-I264 HydrophobicContact CH2-CB 4.33Å; W212-I264 HydrophobicContact CH2-CD1 4.15Å; W212-I264 HydrophobicContact CH2-CG1 3.9Å; W212-I264 HydrophobicContact CH2-CG2 3.52Å; W212-I264 HydrophobicContact CZ2-CD1 4.33Å; W212-I264 HydrophobicContact CZ2-CG1 4.43Å; W212-I264 HydrophobicContact CZ2-CG2 3.56Å; W212-I264 HydrophobicContact CZ3-CD1 3.87Å; W212-I264 HydrophobicContact CZ3-CG1 3.79Å; W212-I264 HydrophobicContact CZ3-CG2 4.29Å; F216-I264 HydrophobicContact CE1-CD1 4.19Å; F216-I264 HydrophobicContact CZ-CD1 3.74Å; R260-I264 WeakPolarHBondContact O-CG1 3.47Å; R260-I264 PolarHBondContact O-N 3Å; Q261-I264 PolarHBondContact O-N 3.29Å; A262-I264 VanDerWaalsContact C-N 3.33Å; A262-I264 PolarHBondContact O-N 3.24Å; I264-G266 VanDerWaalsContact C-N 3.33Å; I264-F283 HydrophobicContact CG1-CE2 4.41Å; I264-F283 WeakPolarHBondContact O-CZ 3.48Å; I264-K287 HydrophobicContact CG2-CG 4.29Å; I264-K287 WeakPolarHBondContact O-CE 3.39Å; I264-K287 PolarHBondContact O-NZ 3.26Å
265Q93.7Very high94.1Very high132 Ų13259.6 Ų59.662%0.61731%0.306SS*.Hα-helixtrans-70-32.5177.7-80.1173.5-9.100112.3Q261 A262 K287Q261-Q265 WeakPolarHBondContact O-CB 3.08Å; Q261-Q265 WeakPolarHBondContact O-CG 3.46Å; Q261-Q265 PolarHBondContact O-N 3.35Å; A262-Q265 PolarHBondContact O-N 3.07Å; Q265-K287 PolarHBondContact O-NZ 3.39Å
266G92.1Very high94.4Very high33 Ų3355.7 Ų55.734%0.3429%0.288SS..SBendtrans-61.2-176.7172.800000114.4A262 I264 G268 K287A262-G266 PolarHBondContact O-N 2.91Å; A262-G266 VanDerWaalsContact O-N 3.13Å; I264-G266 VanDerWaalsContact C-N 3.33Å; G266-G268 PolarHBondContact O-N 3.17Å; G266-K287 PolarHBondContact O-NZ 2.94Å
267D91Very high94.5Very high102 Ų10262.8 Ų62.855%0.54532%0.319SS..  trans-74.1-8.9176.353.418000113.9E269D267-E269 WeakPolarHBondContact OD1-CB 3.5Å; D267-E269 WeakPolarHBondContact OD1-CG 3.34Å; D267-E269 PolarHBondContact OD1-N 3.2Å
268G90.8Very high94.6Very high4 Ų463.4 Ų63.44%0.04132%0.322CS..SBendtrans87.38.9-178.900000114G266 E270 L271 L272G266-G268 PolarHBondContact O-N 3.17Å; G268-E270 VanDerWaalsContact C-N 3.31Å; G268-E270 PolarHBondContact O-N 3.17Å; G268-L271 PolarHBondContact O-N 2.69Å; G268-L272 VanDerWaalsContact O-CB 3.27Å; G268-L272 WeakPolarHBondContact O-CB 3.16Å; G268-L272 WeakPolarHBondContact O-CG 3.28Å; G268-L272 PolarHBondContact O-N 3.44Å
269E92.1Very high94.7Very high152 Ų15259 Ų5971%0.7130%0.299SS*.THydrogen-bonded Turntrans-50.5-46.4-178.1-84.5-175.1172.400113.5D267 K273D267-E269 WeakPolarHBondContact OD1-CB 3.5Å; D267-E269 WeakPolarHBondContact OD1-CG 3.34Å; D267-E269 PolarHBondContact OD1-N 3.2Å; E269-K273 PolarHBondContact O-N 2.93Å
270E93.7Very high94.9Very high93 Ų9359.2 Ų59.244%0.43530%0.3SS..THydrogen-bonded Turntrans-80.7-36.3-179.4-171.360.4-163.600112.3P227 L263 G268 K273P227-E270 HydrophobicContact CB-CG 4.28Å; P227-E270 HydrophobicContact CG-CG 4.49Å; L263-E270 HydrophobicContact CD2-CB 4.15Å; L263-E270 HydrophobicContact CD2-CG 4.4Å; G268-E270 VanDerWaalsContact C-N 3.31Å; G268-E270 PolarHBondContact O-N 3.17Å; E270-K273 WeakPolarHBondContact O-CB 3.38Å; E270-K273 IonicContact OE1-NZ 3.42Å; E270-K273 IonicContact OE2-NZ 3.5Å; E270-K273 PolarHBondContact OE2-NZ 3.19Å
271L94.7Very high95.1Very high3 Ų364.2 Ų64.22%0.01632%0.321CS..THydrogen-bonded Turntrans-71.1-35.3-179.8-178.162.5000112.5F216 I219 P227 W228 G268 F283F216-L271 HydrophobicContact CD1-CD1 4.34Å; F216-L271 HydrophobicContact CE1-CD1 4.47Å; F216-L271 HydrophobicContact CE1-CD2 4.21Å; I219-L271 HydrophobicContact CD1-CD1 3.72Å; I219-L271 HydrophobicContact CD1-CD2 4.28Å; I219-L271 HydrophobicContact CD1-CG 3.72Å; P227-L271 HydrophobicContact CG-CD1 4.24Å; W228-L271 HydrophobicContact CH2-CD1 4.22Å; W228-L271 HydrophobicContact CZ3-CD1 4.03Å; G268-L271 PolarHBondContact O-N 2.69Å; L271-F283 HydrophobicContact CD2-CD2 4.08Å; L271-F283 HydrophobicContact CD2-CE2 3.8Å
272L96.5Very high95.2Very high16 Ų1661.8 Ų61.88%0.08431%0.31CS..THydrogen-bonded Turntrans-103.721.6-175.4-53179.6000112F215 I219 G268 K274 V275 N280 F283F215-L272 HydrophobicContact CE1-CD2 3.81Å; F215-L272 HydrophobicContact CZ-CD2 3.56Å; I219-L272 HydrophobicContact CD1-CD2 4.04Å; G268-L272 VanDerWaalsContact O-CB 3.27Å; G268-L272 WeakPolarHBondContact O-CB 3.16Å; G268-L272 WeakPolarHBondContact O-CG 3.28Å; G268-L272 PolarHBondContact O-N 3.44Å; L272-K274 PolarHBondContact O-N 2.91Å; L272-V275 HydrophobicContact CB-CG2 3.87Å; L272-V275 HydrophobicContact CD2-CG2 4.17Å; L272-V275 WeakPolarHBondContact O-CG2 3.29Å; L272-N280 HydrophobicContact CD1-CB 4.41Å; L272-N280 WeakPolarHBondContact CD1-OD1 3.24Å; L272-F283 HydrophobicContact CD1-CB 3.74Å; L272-F283 HydrophobicContact CD1-CD1 3.99Å; L272-F283 HydrophobicContact CD1-CG 3.84Å; L272-F283 HydrophobicContact CD2-CB 4.45Å
273K94.6Very high95.3Very high105 Ų10558.8 Ų58.846%0.45729%0.285SS..THydrogen-bonded Turntrans-67.5127.6175-162.8176.6-164.4160.60109.8E269 E270 V275E269-K273 PolarHBondContact O-N 2.93Å; E270-K273 WeakPolarHBondContact O-CB 3.38Å; E270-K273 IonicContact OE1-NZ 3.42Å; E270-K273 IonicContact OE2-NZ 3.5Å; E270-K273 PolarHBondContact OE2-NZ 3.19Å; K273-V275 PolarHBondContact O-N 3.05Å
274K94.7Very high95.5Very high184 Ų18461.1 Ų61.180%0.830%0.298SS*.THydrogen-bonded Turntrans66.48.7178.1-52.9168.7-178.8175.50116.1T223 L272T223-K274 HydrophobicContact CG2-CB 4.42Å; L272-K274 PolarHBondContact O-N 2.91Å
275V97.2Very high95.6Very high19 Ų1961.6 Ų61.612%0.11530%0.302CS..SBendtrans-91.3162170.8-55.20000111I219 T222 T223 L272 K273 Y279I219-V275 HydrophobicContact CG1-CG1 4.41Å; I219-V275 HydrophobicContact CG2-CG1 4.18Å; T222-V275 HydrophobicContact CG2-CB 4.18Å; T222-V275 HydrophobicContact CG2-CG1 3.95Å; T223-V275 HydrophobicContact CG2-CG1 3.65Å; L272-V275 HydrophobicContact CB-CG2 3.87Å; L272-V275 HydrophobicContact CD2-CG2 4.17Å; L272-V275 WeakPolarHBondContact O-CG2 3.29Å; K273-V275 PolarHBondContact O-N 3.05Å; V275-Y279 HydrophobicContact CB-CD2 3.62Å; V275-Y279 HydrophobicContact CB-CE2 4.05Å; V275-Y279 HydrophobicContact CB-CG 4.18Å; V275-Y279 HydrophobicContact CG1-CD2 4.04Å; V275-Y279 HydrophobicContact CG1-CE2 4.24Å; V275-Y279 HydrophobicContact CG2-CD2 3.67Å; V275-Y279 HydrophobicContact CG2-CG 3.96Å
276P97.7Very high95.8Very high8 Ų855.3 Ų55.35%0.05227%0.273CS..  trans-53.6139.5171-27.434.9000112.4I118 E278 Y279 V307I118-P276 HydrophobicContact CD1-CG 4.27Å; I118-P276 HydrophobicContact CG2-CG 4.32Å; P276-E278 PolarHBondContact O-N 2.8Å; P276-Y279 HydrophobicContact CB-CD1 4.38Å; P276-Y279 HydrophobicContact CG-CE1 4.37Å; P276-Y279 WeakPolarHBondContact O-CB 3.38Å; P276-Y279 PolarHBondContact O-N 2.95Å; P276-V307 HydrophobicContact CB-CB 4.45Å; P276-V307 HydrophobicContact CB-CG1 3.73Å; P276-V307 HydrophobicContact CB-CG2 3.77Å; P276-V307 HydrophobicContact CG-CG1 3.73Å; P276-V307 HydrophobicContact CG-CG2 4.35Å
277K96.7Very high96Very high152 Ų15257.4 Ų57.466%0.66127%0.273SS*.THydrogen-bonded Turntrans-57.3-26.1-177.266.3179.9179-177.20113.2Y279 N280K277-Y279 PolarHBondContact O-N 3.47Å; K277-N280 VanDerWaalsContact O-CB 3.27Å; K277-N280 WeakPolarHBondContact O-CB 3.36Å; K277-N280 PolarHBondContact O-N 3.2Å; K277-N280 VanDerWaalsContact O-N 3.16Å; K277-N280 PolarHBondContact O-ND2 3.31Å
278E97.8Very high96.3Very high12 Ų1256.5 Ų56.56%0.05627%0.272CS..THydrogen-bonded Turntrans-64.8-22.9177.6-66.668.2-15700112.7P276 N280 K281 A303 V307 S310P276-E278 PolarHBondContact O-N 2.8Å; E278-N280 PolarHBondContact O-N 2.65Å; E278-K281 VanDerWaalsContact O-CB 3.29Å; E278-K281 WeakPolarHBondContact O-CB 3.46Å; E278-K281 PolarHBondContact O-N 2.95Å; E278-A303 WeakPolarHBondContact CB-O 3.46Å; E278-V307 HydrophobicContact CB-CG2 3.62Å; E278-V307 HydrophobicContact CG-CG2 3.88Å; E278-S310 PolarHBondContact OE1-OG 3.01Å
279Y98.1Very high96.6Very high1 Ų157 Ų570%0.00427%0.274CS..Hα-helixtrans-62.8-23.5174.4-78.224.6000111.8L122 F215 I218 I219 T222 V275 P276 K277 K281 I282 F283 L304L122-Y279 HydrophobicContact CD2-CE1 4.39Å; F215-Y279 HydrophobicContact CE2-CD2 4.11Å; F215-Y279 HydrophobicContact CE2-CG 4.29Å; I218-Y279 HydrophobicContact CD1-CD2 4.29Å; I218-Y279 HydrophobicContact CD1-CE1 4.26Å; I218-Y279 HydrophobicContact CD1-CE2 3.77Å; I218-Y279 HydrophobicContact CG1-CE2 3.91Å; I219-Y279 HydrophobicContact CG1-CD2 4.34Å; T222-Y279 PolarHBondContact OG1-OH 3.28Å; V275-Y279 HydrophobicContact CB-CD2 3.62Å; V275-Y279 HydrophobicContact CB-CE2 4.05Å; V275-Y279 HydrophobicContact CB-CG 4.18Å; V275-Y279 HydrophobicContact CG1-CD2 4.04Å; V275-Y279 HydrophobicContact CG1-CE2 4.24Å; V275-Y279 HydrophobicContact CG2-CD2 3.67Å; V275-Y279 HydrophobicContact CG2-CG 3.96Å; P276-Y279 HydrophobicContact CB-CD1 4.38Å; P276-Y279 HydrophobicContact CG-CE1 4.37Å; P276-Y279 WeakPolarHBondContact O-CB 3.38Å; P276-Y279 PolarHBondContact O-N 2.95Å; K277-Y279 PolarHBondContact O-N 3.47Å; Y279-K281 PolarHBondContact O-N 3.16Å; Y279-I282 HydrophobicContact CD1-CD1 4.14Å; Y279-I282 WeakPolarHBondContact O-CB 3.31Å; Y279-I282 PolarHBondContact O-N 2.67Å; Y279-I282 VanDerWaalsContact O-N 3.15Å; Y279-F283 WeakPolarHBondContact O-CB 3.18Å; Y279-F283 PolarHBondContact O-N 3.03Å; Y279-L304 HydrophobicContact CE1-CD2 3.91Å
280N97.7Very high96.8Very high61 Ų6155.5 Ų55.533%0.32627%0.267SS..Hα-helixtrans-59.1-33.8170.3-69.2-69.5000112.2L272 K277 E278 N284L272-N280 HydrophobicContact CD1-CB 4.41Å; L272-N280 WeakPolarHBondContact CD1-OD1 3.24Å; K277-N280 VanDerWaalsContact O-CB 3.27Å; K277-N280 WeakPolarHBondContact O-CB 3.36Å; K277-N280 PolarHBondContact O-N 3.2Å; K277-N280 VanDerWaalsContact O-N 3.16Å; K277-N280 PolarHBondContact O-ND2 3.31Å; E278-N280 PolarHBondContact O-N 2.65Å; N280-N284 WeakPolarHBondContact O-CB 3.48Å; N280-N284 PolarHBondContact O-N 3.17Å; N280-N284 PolarHBondContact O-ND2 3.17Å
281K97.7Very high97Very high105 Ų10552.8 Ų52.846%0.45725%0.253SS..Hα-helixtrans-67.1-42.6177-61179.8179.2176.10110.6E278 Y279 S285 A303E278-K281 VanDerWaalsContact O-CB 3.29Å; E278-K281 WeakPolarHBondContact O-CB 3.46Å; E278-K281 PolarHBondContact O-N 2.95Å; Y279-K281 PolarHBondContact O-N 3.16Å; K281-S285 WeakPolarHBondContact O-CB 3.29Å; K281-S285 PolarHBondContact O-N 2.71Å; K281-S285 PolarHBondContact O-OG 3.3Å; K281-A303 HydrophobicContact CB-CB 4.09Å; K281-A303 HydrophobicContact CD-CB 4.49Å
282I98.3Very high97.1Very high0 Ų054.8 Ų54.80%027%0.27CS..Hα-helixtrans-60.6-56.7175.4-55.9175.2000109.2W214 F215 I218 Y279 N284 S285 L286 I300 A303 L304W214-I282 HydrophobicContact CH2-CD1 4.44Å; W214-I282 HydrophobicContact CZ3-CG2 4.03Å; F215-I282 HydrophobicContact CD2-CB 4.27Å; F215-I282 HydrophobicContact CD2-CG2 3.52Å; F215-I282 HydrophobicContact CE2-CB 3.77Å; F215-I282 HydrophobicContact CE2-CD1 4.29Å; F215-I282 HydrophobicContact CE2-CG2 3.54Å; F215-I282 HydrophobicContact CG-CG2 4.27Å; F215-I282 HydrophobicContact CZ-CB 4.3Å; F215-I282 HydrophobicContact CZ-CG2 4.28Å; I218-I282 HydrophobicContact CD1-CD1 4.25Å; Y279-I282 HydrophobicContact CD1-CD1 4.14Å; Y279-I282 WeakPolarHBondContact O-CB 3.31Å; Y279-I282 PolarHBondContact O-N 2.67Å; Y279-I282 VanDerWaalsContact O-N 3.15Å; I282-N284 PolarHBondContact O-N 3.14Å; I282-S285 WeakPolarHBondContact O-CA 3.45Å; I282-S285 WeakPolarHBondContact O-CB 3.26Å; I282-S285 PolarHBondContact O-N 2.82Å; I282-S285 PolarHBondContact O-OG 2.84Å; I282-L286 HydrophobicContact CG2-CD1 4.2Å; I282-L286 HydrophobicContact CG2-CG 4.41Å; I282-L286 WeakPolarHBondContact O-CG 3.49Å; I282-L286 PolarHBondContact O-N 2.91Å; I282-L286 VanDerWaalsContact O-N 3.1Å; I282-I300 HydrophobicContact CD1-CG2 4.05Å; I282-I300 HydrophobicContact CG1-CG2 4.11Å; I282-I300 HydrophobicContact CG2-CG1 4.28Å; I282-I300 HydrophobicContact CG2-CG2 4.09Å; I282-A303 HydrophobicContact CD1-CB 4.17Å; I282-A303 HydrophobicContact CG1-CB 3.63Å; I282-L304 HydrophobicContact CD1-CD2 3.83Å; I282-L304 HydrophobicContact CD1-CG 4.08Å
283F98.1Very high97.1Very high0 Ų057 Ų570%028%0.282CS..Hα-helixtrans-50.2-53.1179.6178-109.6000112.6W212 F215 I264 L271 L272 Y279 S285 L286 K287W212-F283 AromaticContact CH2-CD2 3.85Å; W212-F283 HydrophobicContact CH2-CD2 3.85Å; W212-F283 AromaticContact CH2-CE2 3.97Å; W212-F283 HydrophobicContact CH2-CE2 3.97Å; W212-F283 AromaticContact CZ3-CD2 3.96Å; W212-F283 HydrophobicContact CZ3-CD2 3.96Å; W212-F283 HydrophobicContact CZ3-CE2 4.19Å; F215-F283 HydrophobicContact CE1-CB 3.89Å; F215-F283 AromaticContact CE1-CD2 3.96Å; F215-F283 HydrophobicContact CE1-CD2 3.96Å; F215-F283 HydrophobicContact CE1-CG 4.42Å; F215-F283 HydrophobicContact CZ-CB 3.98Å; I264-F283 HydrophobicContact CG1-CE2 4.41Å; I264-F283 WeakPolarHBondContact O-CZ 3.48Å; L271-F283 HydrophobicContact CD2-CD2 4.08Å; L271-F283 HydrophobicContact CD2-CE2 3.8Å; L272-F283 HydrophobicContact CD1-CB 3.74Å; L272-F283 HydrophobicContact CD1-CD1 3.99Å; L272-F283 HydrophobicContact CD1-CG 3.84Å; L272-F283 HydrophobicContact CD2-CB 4.45Å; Y279-F283 WeakPolarHBondContact O-CB 3.18Å; Y279-F283 PolarHBondContact O-N 3.03Å; F283-S285 VanDerWaalsContact C-N 3.27Å; F283-S285 PolarHBondContact O-N 3.21Å; F283-L286 PolarHBondContact O-N 3.26Å; F283-L286 VanDerWaalsContact O-N 3.11Å; F283-K287 HydrophobicContact CD1-CD 4.13Å; F283-K287 HydrophobicContact CE1-CD 3.67Å; F283-K287 HydrophobicContact CE1-CG 4.46Å; F283-K287 HydrophobicContact CZ-CD 3.93Å; F283-K287 HydrophobicContact CZ-CG 4.43Å; F283-K287 PolarHBondContact O-N 3.45Å
284N97.5Very high97.3Very high91 Ų9157.8 Ų57.849%0.48729%0.286SS..Hα-helixtrans-65-29.4-179.8-72.9-46.2000113.2N280 I282 P288N280-N284 WeakPolarHBondContact O-CB 3.48Å; N280-N284 PolarHBondContact O-N 3.17Å; N280-N284 PolarHBondContact O-ND2 3.17Å; I282-N284 PolarHBondContact O-N 3.14Å; N284-P288 VanDerWaalsContact O-CD 3.25Å; N284-P288 WeakPolarHBondContact O-CD 3.36Å
285S97.6Very high97.5Very high20 Ų2049.2 Ų49.214%0.1425%0.249CC..Hα-helixtrans-74-24.1175.478.20000113.7K281 I282 F283K281-S285 WeakPolarHBondContact O-CB 3.29Å; K281-S285 PolarHBondContact O-N 2.71Å; K281-S285 PolarHBondContact O-OG 3.3Å; I282-S285 WeakPolarHBondContact O-CA 3.45Å; I282-S285 WeakPolarHBondContact O-CB 3.26Å; I282-S285 PolarHBondContact O-N 2.82Å; I282-S285 PolarHBondContact O-OG 2.84Å; F283-S285 VanDerWaalsContact C-N 3.27Å; F283-S285 PolarHBondContact O-N 3.21Å
286L98Very high97.5Very high0 Ų050.3 Ų50.30%026%0.256CS..Hα-helixtrans-85.6-32.5179.2-61.2-175.8000113.1I211 W212 F215 I282 F283 P288 L289 I300I211-L286 HydrophobicContact CB-CD2 4.37Å; I211-L286 HydrophobicContact CG2-CD1 4.02Å; I211-L286 HydrophobicContact CG2-CD2 3.51Å; I211-L286 HydrophobicContact CG2-CG 4.42Å; W212-L286 HydrophobicContact CD2-CB 4.28Å; W212-L286 HydrophobicContact CD2-CD1 4.16Å; W212-L286 HydrophobicContact CE3-CD1 4.03Å; W212-L286 HydrophobicContact CH2-CB 3.75Å; W212-L286 HydrophobicContact CH2-CD1 4.45Å; W212-L286 HydrophobicContact CZ2-CB 3.41Å; W212-L286 VanDerWaalsContact CZ2-CB 3.41Å; W212-L286 HydrophobicContact CZ3-CB 4.31Å; W212-L286 HydrophobicContact CZ3-CD1 4.18Å; F215-L286 HydrophobicContact CB-CD1 3.89Å; F215-L286 HydrophobicContact CD1-CD1 4.27Å; F215-L286 HydrophobicContact CG-CD1 4.06Å; I282-L286 HydrophobicContact CG2-CD1 4.2Å; I282-L286 HydrophobicContact CG2-CG 4.41Å; I282-L286 WeakPolarHBondContact O-CG 3.49Å; I282-L286 PolarHBondContact O-N 2.91Å; I282-L286 VanDerWaalsContact O-N 3.1Å; F283-L286 PolarHBondContact O-N 3.26Å; F283-L286 VanDerWaalsContact O-N 3.11Å; L286-P288 VanDerWaalsContact C-CD 3.49Å; L286-L289 HydrophobicContact CD2-CD1 3.79Å; L286-L289 WeakPolarHBondContact O-CB 3.49Å; L286-L289 WeakPolarHBondContact O-CG 3.19Å; L286-L289 PolarHBondContact O-N 3.03Å; L286-L289 VanDerWaalsContact O-N 3.16Å; L286-I300 HydrophobicContact CD2-CD1 4.03Å
287K96Very high97.6Very high78 Ų7850.1 Ų50.134%0.33926%0.255SS..THydrogen-bonded Turntrans-50.3-46.7-178.6-73.9-178.873.4160.80115.3W212 I264 Q265 G266 F283 L289W212-K287 HydrophobicContact CH2-CG 4.34Å; W212-K287 HydrophobicContact CZ2-CG 4.41Å; I264-K287 HydrophobicContact CG2-CG 4.29Å; I264-K287 WeakPolarHBondContact O-CE 3.39Å; I264-K287 PolarHBondContact O-NZ 3.26Å; Q265-K287 PolarHBondContact O-NZ 3.39Å; G266-K287 PolarHBondContact O-NZ 2.94Å; F283-K287 HydrophobicContact CD1-CD 4.13Å; F283-K287 HydrophobicContact CE1-CD 3.67Å; F283-K287 HydrophobicContact CE1-CG 4.46Å; F283-K287 HydrophobicContact CZ-CD 3.93Å; F283-K287 HydrophobicContact CZ-CG 4.43Å; F283-K287 PolarHBondContact O-N 3.45Å; K287-L289 VanDerWaalsContact C-N 3.27Å; K287-L289 PolarHBondContact O-N 2.94Å
288P96.3Very high97.6Very high82 Ų8247 Ų4753%0.53225%0.252SS..THydrogen-bonded Turntrans-77.8-10-175.930.9-36.3000113.9N284 L286 Q290N284-P288 VanDerWaalsContact O-CD 3.25Å; N284-P288 WeakPolarHBondContact O-CD 3.36Å; L286-P288 VanDerWaalsContact C-CD 3.49Å; P288-Q290 PolarHBondContact O-N 2.76Å; P288-Q290 PolarHBondContact O-NE2 3.43Å
289L97.8Very high97.7Very high16 Ų1650.5 Ų50.58%0.08427%0.268CS..  trans-62.1123.5-170.8-65.3178.6000112.3R208 L286 K287 D293 P295R208-L289 HydrophobicContact CB-CB 3.91Å; R208-L289 HydrophobicContact CB-CD1 4.05Å; R208-L289 VanDerWaalsContact CD-O 3.23Å; R208-L289 WeakPolarHBondContact CD-O 3.49Å; R208-L289 PolarHBondContact NH1-O 2.84Å; L286-L289 HydrophobicContact CD2-CD1 3.79Å; L286-L289 WeakPolarHBondContact O-CB 3.49Å; L286-L289 WeakPolarHBondContact O-CG 3.19Å; L286-L289 PolarHBondContact O-N 3.03Å; L286-L289 VanDerWaalsContact O-N 3.16Å; K287-L289 VanDerWaalsContact C-N 3.27Å; K287-L289 PolarHBondContact O-N 2.94Å; L289-D293 HydrophobicContact CB-CB 4.49Å; L289-D293 HydrophobicContact CD2-CB 3.9Å; L289-P295 HydrophobicContact CD1-CB 4.49Å
290Q96.6Very high97.7Very high119 Ų11950.4 Ų50.456%0.55627%0.268SS*.  trans-85.9166.7171.3-55.8-54.2-52.600111.1P288 A292 D293P288-Q290 PolarHBondContact O-N 2.76Å; P288-Q290 PolarHBondContact O-NE2 3.43Å; Q290-A292 VanDerWaalsContact C-N 3.28Å; Q290-A292 PolarHBondContact O-N 3.31Å; Q290-D293 WeakPolarHBondContact CB-OD2 3.24Å; Q290-D293 PolarHBondContact N-OD2 3.17Å; Q290-D293 WeakPolarHBondContact O-CB 3.38Å; Q290-D293 PolarHBondContact O-N 3.37Å; Q290-D293 VanDerWaalsContact O-N 3.07Å
291F96.8Very high97.7Very high36 Ų3649.1 Ų49.116%0.15826%0.259CS..THydrogen-bonded Turntrans-50.5-43.3-174.1166.1-111.3000114.3H179 R180 A182 E204 Q205H179-F291 AromaticContact CE1-CE1 3.42Å; H179-F291 VanDerWaalsContact CE1-CE1 3.42Å; H179-F291 WeakPolarHBondContact CE1-CE1 3.48Å; H179-F291 AromaticContact CE1-CZ 3.47Å; H179-F291 VanDerWaalsContact CE1-CZ 3.47Å; H179-F291 WeakPolarHBondContact CE1-CZ 3.49Å; H179-F291 AromaticContact ND1-CE1 3.59Å; H179-F291 AromaticContact ND1-CZ 3.98Å; R180-F291 WeakPolarHBondContact O-CE1 3.5Å; A182-F291 HydrophobicContact CB-CD1 3.91Å; A182-F291 HydrophobicContact CB-CE1 3.76Å; A182-F291 HydrophobicContact CB-CG 4.32Å; A182-F291 HydrophobicContact CB-CZ 4.08Å; E204-F291 HydrophobicContact CB-CD2 4.49Å; E204-F291 HydrophobicContact CB-CE2 3.93Å; E204-F291 HydrophobicContact CB-CZ 4.35Å; E204-F291 HydrophobicContact CG-CD2 4.34Å; E204-F291 HydrophobicContact CG-CE2 3.35Å; E204-F291 HydrophobicContact CG-CZ 3.56Å; E204-F291 WeakPolarHBondContact O-CD2 3.41Å; Q205-F291 WeakPolarHBondContact O-CE2 3.41Å
292A96.5Very high97.8Very high45 Ų4548.9 Ų48.937%0.37226%0.262SS..THydrogen-bonded Turntrans-91.1-3.6-175.800000113.9H179 R207 Q290H179-A292 HydrophobicContact CB-CB 4.41Å; R207-A292 PolarHBondContact NH2-O 3.16Å; Q290-A292 VanDerWaalsContact C-N 3.28Å; Q290-A292 PolarHBondContact O-N 3.31Å
293D97.8Very high97.8Very high63 Ų6349 Ų4934%0.33726%0.263SS..PPolyproline II helixtrans-66.4150.5-171.7-69.7-7.5000111.6R207 L289 Q290R207-D293 PolarHBondContact NE-O 2.91Å; R207-D293 VanDerWaalsContact NE-O 3.12Å; R207-D293 VanDerWaalsContact NH2-C 3.34Å; R207-D293 PolarHBondContact NH2-O 3.08Å; L289-D293 HydrophobicContact CB-CB 4.49Å; L289-D293 HydrophobicContact CD2-CB 3.9Å; Q290-D293 WeakPolarHBondContact CB-OD2 3.24Å; Q290-D293 PolarHBondContact N-OD2 3.17Å; Q290-D293 WeakPolarHBondContact O-CB 3.38Å; Q290-D293 PolarHBondContact O-N 3.37Å; Q290-D293 VanDerWaalsContact O-N 3.07Å
294K97.8Very high97.8Very high122 Ų12249 Ų4953%0.5326%0.263SS..PPolyproline II helixtrans-82.5125.8167.6-177.2177.9174.9175.30107.5Y297K294-Y297 HydrophobicContact CG-CE2 4.43Å
295P98.5Very high97.8Very high3 Ų348.5 Ų48.52%0.01926%0.26CS..PPolyproline II helixtrans-57.5147.2174.1-24.834000111.7R207 I211 L289 Y297R207-P295 HydrophobicContact CB-CG 3.73Å; I211-P295 HydrophobicContact CG1-CB 3.75Å; I211-P295 HydrophobicContact CG1-CG 3.61Å; L289-P295 HydrophobicContact CD1-CB 4.49Å; P295-Y297 HydrophobicContact CB-CD2 4.24Å; P295-Y297 HydrophobicContact CB-CE1 4.29Å; P295-Y297 HydrophobicContact CB-CE2 3.81Å; P295-Y297 HydrophobicContact CG-CE2 3.99Å; P295-Y297 WeakPolarHBondContact O-CD2 3.49Å; P295-Y297 PolarHBondContact O-N 2.85Å
296P98.3Very high97.8Very high42 Ų4249.6 Ų49.627%0.27327%0.267SS..  trans-81.558.2-176.234.9-36.1000111.3S298 H299 I300P296-S298 VanDerWaalsContact C-N 3.33Å; P296-S298 PolarHBondContact O-N 2.89Å; P296-H299 HydrophobicContact CB-CB 4.08Å; P296-H299 WeakPolarHBondContact O-CA 3.32Å; P296-H299 VanDerWaalsContact O-CB 3.29Å; P296-H299 WeakPolarHBondContact O-CB 3.42Å; P296-H299 PolarHBondContact O-N 3.03Å; P296-I300 HydrophobicContact CG-CD1 4.42Å; P296-I300 HydrophobicContact CG-CG1 4.4Å; P296-I300 PolarHBondContact O-N 2.81Å; P296-I300 VanDerWaalsContact O-N 3.1Å
297Y98.8Very high97.7Very high5 Ų549.6 Ų49.62%0.0227%0.267CS..Hα-helixtrans-46.1-50.5-173.2-67.8-75.6000114L129 E133 H136 I211 K294 P295 H299 I300 Y301L129-Y297 HydrophobicContact CD1-CD1 3.76Å; L129-Y297 HydrophobicContact CD1-CE1 3.76Å; L129-Y297 HydrophobicContact CD2-CD1 4.47Å; L129-Y297 HydrophobicContact CG-CD1 4.02Å; L129-Y297 HydrophobicContact CG-CE1 4.39Å; E133-Y297 HydrophobicContact CB-CD1 3.88Å; E133-Y297 HydrophobicContact CB-CE1 3.69Å; E133-Y297 HydrophobicContact CB-CE2 4.48Å; E133-Y297 HydrophobicContact CB-CG 4.34Å; E133-Y297 HydrophobicContact CG-CD1 4.06Å; E133-Y297 HydrophobicContact CG-CD2 3.99Å; E133-Y297 HydrophobicContact CG-CE1 4.1Å; E133-Y297 HydrophobicContact CG-CE2 4.04Å; E133-Y297 HydrophobicContact CG-CG 4Å; H136-Y297 PolarHBondContact CE1-OH 3.47Å; H136-Y297 AromaticContact ND1-CZ 3.96Å; H136-Y297 PolarHBondContact ND1-OH 2.91Å; I211-Y297 HydrophobicContact CD1-CE1 3.86Å; I211-Y297 HydrophobicContact CG1-CE1 4.44Å; K294-Y297 HydrophobicContact CG-CE2 4.43Å; P295-Y297 HydrophobicContact CB-CD2 4.24Å; P295-Y297 HydrophobicContact CB-CE1 4.29Å; P295-Y297 HydrophobicContact CB-CE2 3.81Å; P295-Y297 HydrophobicContact CG-CE2 3.99Å; P295-Y297 WeakPolarHBondContact O-CD2 3.49Å; P295-Y297 PolarHBondContact O-N 2.85Å; Y297-H299 VanDerWaalsContact C-N 3.26Å; Y297-H299 PolarHBondContact O-N 2.81Å; Y297-I300 WeakPolarHBondContact O-CA 3.27Å; Y297-I300 WeakPolarHBondContact O-CB 3.36Å; Y297-I300 PolarHBondContact O-N 3Å; Y297-Y301 WeakPolarHBondContact O-CD2 3.4Å; Y297-Y301 PolarHBondContact O-N 3.26Å
298S98.4Very high97.7Very high85 Ų8546.4 Ų46.459%0.59425%0.253SS*.Hα-helixtrans-57.9-37.5178.6-49.50000112.8P296 N302P296-S298 VanDerWaalsContact C-N 3.33Å; P296-S298 PolarHBondContact O-N 2.89Å; S298-N302 WeakPolarHBondContact O-CB 3.41Å; S298-N302 PolarHBondContact O-N 2.77Å; S298-N302 PolarHBondContact O-ND2 2.92Å; S298-N302 VanDerWaalsContact O-ND2 3.14Å
299H98.3Very high97.5Very high86 Ų8647.4 Ų47.440%0.39826%0.262SS..Hα-helixtrans-67.7-41.2175.6-172.178.8000111.5P296 Y297 N302 A303P296-H299 HydrophobicContact CB-CB 4.08Å; P296-H299 WeakPolarHBondContact O-CA 3.32Å; P296-H299 VanDerWaalsContact O-CB 3.29Å; P296-H299 WeakPolarHBondContact O-CB 3.42Å; P296-H299 PolarHBondContact O-N 3.03Å; Y297-H299 VanDerWaalsContact C-N 3.26Å; Y297-H299 PolarHBondContact O-N 2.81Å; H299-N302 PolarHBondContact O-N 3.26Å; H299-A303 PolarHBondContact O-N 2.92Å
300I98.7Very high97.4Very high0 Ų049.7 Ų49.70%028%0.279CS..Hα-helixtrans-64.7-47.5178.4-57.6173.1000110.4L129 I211 W214 I282 L286 P296 Y297 N302 A303 L304L129-I300 HydrophobicContact CD2-CB 3.86Å; L129-I300 HydrophobicContact CD2-CG2 3.38Å; I211-I300 HydrophobicContact CG2-CD1 3.91Å; W214-I300 HydrophobicContact CH2-CG2 3.29Å; W214-I300 HydrophobicContact CZ2-CG2 4.3Å; W214-I300 HydrophobicContact CZ3-CG2 3.63Å; I282-I300 HydrophobicContact CD1-CG2 4.05Å; I282-I300 HydrophobicContact CG1-CG2 4.11Å; I282-I300 HydrophobicContact CG2-CG1 4.28Å; I282-I300 HydrophobicContact CG2-CG2 4.09Å; L286-I300 HydrophobicContact CD2-CD1 4.03Å; P296-I300 HydrophobicContact CG-CD1 4.42Å; P296-I300 HydrophobicContact CG-CG1 4.4Å; P296-I300 PolarHBondContact O-N 2.81Å; P296-I300 VanDerWaalsContact O-N 3.1Å; Y297-I300 WeakPolarHBondContact O-CA 3.27Å; Y297-I300 WeakPolarHBondContact O-CB 3.36Å; Y297-I300 PolarHBondContact O-N 3Å; I300-N302 VanDerWaalsContact C-N 3.33Å; I300-N302 PolarHBondContact O-N 2.84Å; I300-A303 WeakPolarHBondContact O-CB 3.48Å; I300-A303 PolarHBondContact O-N 2.91Å; I300-A303 VanDerWaalsContact O-N 3.16Å; I300-L304 HydrophobicContact CG2-CD1 4.32Å; I300-L304 WeakPolarHBondContact O-CG 3.15Å; I300-L304 PolarHBondContact O-N 2.78Å
301Y98.6Very high97.3Very high34 Ų3448.4 Ų48.413%0.13327%0.273CS..Hα-helixtrans-57-46174.5-65.5-52.3000111.7L126 L129 E130 E133 Y297 A303 L304 L305L126-Y301 HydrophobicContact CD2-CD1 3.8Å; L129-Y301 HydrophobicContact CB-CE1 3.99Å; L129-Y301 HydrophobicContact CD2-CD1 3.79Å; L129-Y301 HydrophobicContact CD2-CE1 3.48Å; L129-Y301 VanDerWaalsContact CD2-CE1 3.48Å; L129-Y301 HydrophobicContact CD2-CG 4.49Å; L129-Y301 HydrophobicContact CG-CE1 3.76Å; E130-Y301 VanDerWaalsContact CA-OH 3.32Å; E130-Y301 WeakPolarHBondContact CA-OH 3.26Å; E130-Y301 HydrophobicContact CG-CE1 3.89Å; E130-Y301 PolarHBondContact N-OH 2.64Å; E133-Y301 WeakPolarHBondContact OE2-CE2 3.21Å; E133-Y301 PolarHBondContact OE2-OH 2.84Å; Y297-Y301 WeakPolarHBondContact O-CD2 3.4Å; Y297-Y301 PolarHBondContact O-N 3.26Å; Y301-A303 VanDerWaalsContact C-N 3.3Å; Y301-A303 PolarHBondContact O-N 2.89Å; Y301-L304 PolarHBondContact O-N 2.77Å; Y301-L305 WeakPolarHBondContact O-CB 3.03Å; Y301-L305 VanDerWaalsContact O-CG 3.28Å; Y301-L305 WeakPolarHBondContact O-CG 3.49Å; Y301-L305 PolarHBondContact O-N 2.85Å
302N98.3Very high97.1Very high99 Ų9950 Ų5053%0.52930%0.301SS..Hα-helixtrans-61.9-37.6178.2-72.4-21.9000112.4S298 H299 I300 S306S298-N302 WeakPolarHBondContact O-CB 3.41Å; S298-N302 PolarHBondContact O-N 2.77Å; S298-N302 PolarHBondContact O-ND2 2.92Å; S298-N302 VanDerWaalsContact O-ND2 3.14Å; H299-N302 PolarHBondContact O-N 3.26Å; I300-N302 VanDerWaalsContact C-N 3.33Å; I300-N302 PolarHBondContact O-N 2.84Å; N302-S306 WeakPolarHBondContact O-CB 3.35Å; N302-S306 PolarHBondContact O-N 2.85Å; N302-S306 PolarHBondContact O-OG 3.29Å
303A98.4Very high97Very high2 Ų249.6 Ų49.62%0.01729%0.292CS..Hα-helixtrans-64.8-46.1175.100000111.5E278 K281 I282 H299 I300 Y301 S306 V307E278-A303 WeakPolarHBondContact CB-O 3.46Å; K281-A303 HydrophobicContact CB-CB 4.09Å; K281-A303 HydrophobicContact CD-CB 4.49Å; I282-A303 HydrophobicContact CD1-CB 4.17Å; I282-A303 HydrophobicContact CG1-CB 3.63Å; H299-A303 PolarHBondContact O-N 2.92Å; I300-A303 WeakPolarHBondContact O-CB 3.48Å; I300-A303 PolarHBondContact O-N 2.91Å; I300-A303 VanDerWaalsContact O-N 3.16Å; Y301-A303 VanDerWaalsContact C-N 3.3Å; Y301-A303 PolarHBondContact O-N 2.89Å; A303-S306 WeakPolarHBondContact O-CB 3.26Å; A303-S306 PolarHBondContact O-N 3.38Å; A303-V307 PolarHBondContact O-N 3.25Å
304L98Very high96.7Very high0 Ų049.5 Ų49.50%030%0.296CS..Hα-helixtrans-62.3-46.2176.7-65.9171.9000111.9L122 A125 L126 W214 I218 Y279 I282 I300 Y301 S306 V307L122-L304 HydrophobicContact CD2-CB 4.38Å; L122-L304 HydrophobicContact CD2-CD2 3.93Å; A125-L304 HydrophobicContact CB-CD1 3.91Å; A125-L304 HydrophobicContact CB-CD2 3.9Å; L126-L304 HydrophobicContact CD2-CB 4.01Å; L126-L304 HydrophobicContact CD2-CD1 3.85Å; L126-L304 HydrophobicContact CG-CD1 4.28Å; W214-L304 HydrophobicContact CH2-CD1 4.08Å; W214-L304 HydrophobicContact CZ2-CD1 4Å; I218-L304 HydrophobicContact CD1-CD2 4.2Å; Y279-L304 HydrophobicContact CE1-CD2 3.91Å; I282-L304 HydrophobicContact CD1-CD2 3.83Å; I282-L304 HydrophobicContact CD1-CG 4.08Å; I300-L304 HydrophobicContact CG2-CD1 4.32Å; I300-L304 WeakPolarHBondContact O-CG 3.15Å; I300-L304 PolarHBondContact O-N 2.78Å; Y301-L304 PolarHBondContact O-N 2.77Å; L304-S306 VanDerWaalsContact C-N 3.28Å; L304-S306 PolarHBondContact O-N 3Å; L304-V307 WeakPolarHBondContact O-CB 3.5Å; L304-V307 PolarHBondContact O-N 3.39Å; L304-V307 VanDerWaalsContact O-N 3.1Å
305L97.4Very high96.2Very high82 Ų8247 Ų4743%0.42929%0.292SS..Hα-helixtrans-63.8-33.6177.9-68.4173000112.3L126 Y301 V307 Y308 S309L126-L305 HydrophobicContact CD1-CD2 4.2Å; Y301-L305 WeakPolarHBondContact O-CB 3.03Å; Y301-L305 VanDerWaalsContact O-CG 3.28Å; Y301-L305 WeakPolarHBondContact O-CG 3.49Å; Y301-L305 PolarHBondContact O-N 2.85Å; L305-V307 PolarHBondContact O-N 2.9Å; L305-Y308 HydrophobicContact CD2-CD2 4.41Å; L305-Y308 WeakPolarHBondContact O-CB 3.17Å; L305-Y308 PolarHBondContact O-N 3.43Å; L305-S309 PolarHBondContact O-N 2.66Å
306S97.6Very high95.8Very high42 Ų4257.4 Ų57.429%0.29433%0.331SS..Hα-helixtrans-64-26.5175-62.80000112.9N302 A303 L304 S310N302-S306 WeakPolarHBondContact O-CB 3.35Å; N302-S306 PolarHBondContact O-N 2.85Å; N302-S306 PolarHBondContact O-OG 3.29Å; A303-S306 WeakPolarHBondContact O-CB 3.26Å; A303-S306 PolarHBondContact O-N 3.38Å; L304-S306 VanDerWaalsContact C-N 3.28Å; L304-S306 PolarHBondContact O-N 3Å; S306-S310 WeakPolarHBondContact O-CB 3.44Å; S306-S310 PolarHBondContact O-N 2.79Å; S306-S310 PolarHBondContact O-OG 3.43Å
307V97.3Very high95.3Very high0 Ų060.3 Ų60.30%034%0.341CS..Hα-helixtrans-67-42.7174.8-174.30000110.7I118 L122 P276 E278 A303 L304 L305 S309 S310 Q311I118-V307 HydrophobicContact CG2-CG1 3.92Å; L122-V307 HydrophobicContact CD1-CB 3.76Å; L122-V307 HydrophobicContact CD1-CG1 3.69Å; L122-V307 HydrophobicContact CD2-CB 3.82Å; L122-V307 HydrophobicContact CD2-CG1 4.14Å; L122-V307 HydrophobicContact CD2-CG2 4.02Å; L122-V307 HydrophobicContact CG-CB 4.41Å; L122-V307 HydrophobicContact CG-CG1 4.39Å; P276-V307 HydrophobicContact CB-CB 4.45Å; P276-V307 HydrophobicContact CB-CG1 3.73Å; P276-V307 HydrophobicContact CB-CG2 3.77Å; P276-V307 HydrophobicContact CG-CG1 3.73Å; P276-V307 HydrophobicContact CG-CG2 4.35Å; E278-V307 HydrophobicContact CB-CG2 3.62Å; E278-V307 HydrophobicContact CG-CG2 3.88Å; A303-V307 PolarHBondContact O-N 3.25Å; L304-V307 WeakPolarHBondContact O-CB 3.5Å; L304-V307 PolarHBondContact O-N 3.39Å; L304-V307 VanDerWaalsContact O-N 3.1Å; L305-V307 PolarHBondContact O-N 2.9Å; V307-S309 VanDerWaalsContact C-N 3.31Å; V307-S309 PolarHBondContact O-N 3.31Å; V307-S310 PolarHBondContact O-N 3Å; V307-S310 PolarHBondContact O-OG 3.36Å; V307-Q311 HydrophobicContact CG1-CG 4.21Å; V307-Q311 WeakPolarHBondContact O-CB 3.44Å; V307-Q311 PolarHBondContact O-N 2.84Å
308Y95.1Very high95Very high12 Ų1263.7 Ų63.75%0.04736%0.363CS..Hα-helixtrans-55.6-49176-79.9-70000110.9G119 L122 W123 L126 L305 G312 I313 P315G119-Y308 PolarHBondContact O-OH 2.85Å; L122-Y308 HydrophobicContact CB-CD2 4.4Å; L122-Y308 HydrophobicContact CB-CE1 4.31Å; L122-Y308 HydrophobicContact CB-CE2 3.59Å; L122-Y308 WeakPolarHBondContact CB-OH 3.47Å; L122-Y308 HydrophobicContact CD1-CD1 3.99Å; L122-Y308 HydrophobicContact CD1-CD2 3.87Å; L122-Y308 HydrophobicContact CD1-CE1 3.95Å; L122-Y308 HydrophobicContact CD1-CE2 3.84Å; L122-Y308 HydrophobicContact CD1-CG 3.94Å; L122-Y308 HydrophobicContact CG-CE2 4.33Å; W123-Y308 PolarHBondContact N-OH 2.8Å; L126-Y308 HydrophobicContact CD1-CE2 4.02Å; L305-Y308 HydrophobicContact CD2-CD2 4.41Å; L305-Y308 WeakPolarHBondContact O-CB 3.17Å; L305-Y308 PolarHBondContact O-N 3.43Å; Y308-G312 PolarHBondContact O-N 2.82Å; Y308-G312 VanDerWaalsContact O-N 3.12Å; Y308-I313 HydrophobicContact CD1-CB 3.73Å; Y308-I313 HydrophobicContact CD1-CG2 3.57Å; Y308-I313 VanDerWaalsContact CD1-O 3.3Å; Y308-I313 WeakPolarHBondContact CD1-O 3.39Å; Y308-I313 HydrophobicContact CE1-CB 4.34Å; Y308-I313 HydrophobicContact CE1-CG2 3.68Å; Y308-I313 PolarHBondContact O-N 3.3Å; Y308-P315 HydrophobicContact CD1-CG 4.17Å; Y308-P315 HydrophobicContact CE1-CB 4.45Å; Y308-P315 HydrophobicContact CE1-CG 4.39Å; Y308-P315 HydrophobicContact CG-CG 4.27Å
309S93.7Very high94.9Very high103 Ų10359.8 Ų59.872%0.7234%0.336SS*.Hα-helixtrans-66.5-45.7179.9-56.20000112.9L305 V307 Q311 G312L305-S309 PolarHBondContact O-N 2.66Å; V307-S309 VanDerWaalsContact C-N 3.31Å; V307-S309 PolarHBondContact O-N 3.31Å; S309-Q311 PolarHBondContact O-N 3.26Å; S309-G312 PolarHBondContact O-N 3.4Å
310S95.5Very high94.7Very high63 Ų6356.2 Ų56.244%0.44132%0.32SS..Hα-helixtrans-70.9-29.1-174.9640000113.8E278 S306 V307E278-S310 PolarHBondContact OE1-OG 3.01Å; S306-S310 WeakPolarHBondContact O-CB 3.44Å; S306-S310 PolarHBondContact O-N 2.79Å; S306-S310 PolarHBondContact O-OG 3.43Å; V307-S310 PolarHBondContact O-N 3Å; V307-S310 PolarHBondContact O-OG 3.36Å
311Q94.6Very high94.5Very high92 Ų9257.6 Ų57.643%0.4333%0.325SS..THydrogen-bonded Turntrans-100.43.7178.6-59.9-167.312.300113.2V307 S309 I313V307-Q311 HydrophobicContact CG1-CG 4.21Å; V307-Q311 WeakPolarHBondContact O-CB 3.44Å; V307-Q311 PolarHBondContact O-N 2.84Å; S309-Q311 PolarHBondContact O-N 3.26Å; Q311-I313 HydrophobicContact CB-CD1 3.84Å; Q311-I313 HydrophobicContact CB-CG1 3.89Å; Q311-I313 PolarHBondContact O-N 2.79Å
312G92.6Very high94.2Very high71 Ų7159.1 Ų59.173%0.73233%0.333SS*.THydrogen-bonded Turntrans63.428.1-179.500000113.7Y308 S309Y308-G312 PolarHBondContact O-N 2.82Å; Y308-G312 VanDerWaalsContact O-N 3.12Å; S309-G312 PolarHBondContact O-N 3.4Å
313I92.8Very high93.2Very high35 Ų3556.9 Ų56.918%0.17933%0.326CS..  trans-86.7127.5-179.4-57.5170.4000108.3I118 Y308 Q311I118-I313 HydrophobicContact CB-CD1 3.78Å; I118-I313 HydrophobicContact CG2-CD1 3.49Å; I118-I313 VanDerWaalsContact CG2-CD1 3.49Å; Y308-I313 HydrophobicContact CD1-CB 3.73Å; Y308-I313 HydrophobicContact CD1-CG2 3.57Å; Y308-I313 VanDerWaalsContact CD1-O 3.3Å; Y308-I313 WeakPolarHBondContact CD1-O 3.39Å; Y308-I313 HydrophobicContact CE1-CB 4.34Å; Y308-I313 HydrophobicContact CE1-CG2 3.68Å; Y308-I313 PolarHBondContact O-N 3.3Å; Q311-I313 HydrophobicContact CB-CD1 3.84Å; Q311-I313 HydrophobicContact CB-CG1 3.89Å; Q311-I313 PolarHBondContact O-N 2.79Å
314S92.5Very high91.4Very high62 Ų6267.2 Ų67.243%0.43437%0.37SS..  trans-78.2132.1171.2177.40000110.4R316 H317S314-R316 PolarHBondContact O-N 2.79Å; S314-R316 VanDerWaalsContact O-N 3.08Å; S314-R316 PolarHBondContact OG-N 2.92Å; S314-H317 WeakPolarHBondContact O-CB 3.48Å; S314-H317 PolarHBondContact O-N 2.95Å
315P87.7Confident88.8Confident68 Ų6878.3 Ų78.344%0.44241%0.412SS..THydrogen-bonded Turntrans-58.8-19.8170.6-25.935.3000113.6R159 Y308R159-P315 PolarHBondContact NH1-O 3.03Å; Y308-P315 HydrophobicContact CD1-CG 4.17Å; Y308-P315 HydrophobicContact CE1-CB 4.45Å; Y308-P315 HydrophobicContact CE1-CG 4.39Å; Y308-P315 HydrophobicContact CG-CG 4.27Å
316R89Confident86.3Confident222 Ų22278.8 Ų78.884%0.83842%0.415SS*.THydrogen-bonded Turntrans-87.5-1.9175.9-61.5-175.9178.9180-0113.5S314S314-R316 PolarHBondContact O-N 2.79Å; S314-R316 VanDerWaalsContact O-N 3.08Å; S314-R316 PolarHBondContact OG-N 2.92Å
317H88.1Confident83.3Confident103 Ų10381.8 Ų81.848%0.47744%0.435SS..SBendtrans-55.4137.5175.4-172.4-79.2000109.7R159 S314 L319R159-H317 PolarHBondContact NH2-O 3.25Å; S314-H317 WeakPolarHBondContact O-CB 3.48Å; S314-H317 PolarHBondContact O-N 2.95Å; H317-L319 PolarHBondContact O-N 3.15Å
318P92.8Very high80.4Confident76 Ų7690.5 Ų90.549%0.49448%0.476SS..PPolyproline II helixtrans-53.8134.6176.3-26.935.1000111.8
319L95.3Very high77.5Confident4 Ų493.7 Ų93.72%0.02150%0.5CS..PPolyproline II helixtrans-79.4155.6174.7-50.3177.5000109.7T120 W123 R159 H317 Y321 E322T120-L319 WeakPolarHBondContact OG1-CA 3.45Å; W123-L319 HydrophobicContact CB-CD1 4.34Å; W123-L319 HydrophobicContact CB-CD2 3.71Å; W123-L319 VanDerWaalsContact CD1-CD1 3.47Å; W123-L319 HydrophobicContact CD2-CD1 4.09Å; W123-L319 HydrophobicContact CD2-CD2 4.35Å; W123-L319 HydrophobicContact CG-CD1 3.68Å; W123-L319 HydrophobicContact CG-CD2 3.84Å; W123-L319 HydrophobicContact CG-CG 4.45Å; R159-L319 HydrophobicContact CG-CD1 3.83Å; H317-L319 PolarHBondContact O-N 3.15Å; L319-Y321 HydrophobicContact CB-CD1 4.42Å; L319-Y321 HydrophobicContact CB-CD2 4.37Å; L319-Y321 HydrophobicContact CB-CE1 4.14Å; L319-Y321 HydrophobicContact CB-CE2 4.06Å; L319-Y321 HydrophobicContact CD1-CE1 4.31Å; L319-Y321 HydrophobicContact CD1-CE2 3.75Å; L319-Y321 VanDerWaalsContact CD1-CZ 3.49Å; L319-Y321 WeakPolarHBondContact CD1-OH 3.37Å; L319-Y321 PolarHBondContact O-N 2.99Å; L319-E322 HydrophobicContact CB-CG 4.04Å; L319-E322 HydrophobicContact CG-CG 4.46Å; L319-E322 PolarHBondContact N-OE2 2.68Å; L319-E322 PolarHBondContact O-N 3.25Å
320D95.2Very high74.6Confident11 Ų1193.6 Ų93.66%0.05950%0.499CS..THydrogen-bonded Turntrans-54.4-29.3-176-74.541.1000112.9R113 F116 T117 T120R113-D320 IonicContact CZ-OD2 3.73Å; R113-D320 IonicContact NE-OD2 2.89Å; R113-D320 PolarHBondContact NE-OD2 2.64Å; R113-D320 VanDerWaalsContact NE-OD2 3.08Å; R113-D320 IonicContact NH2-OD2 2.77Å; R113-D320 PolarHBondContact NH2-OD2 3.33Å; F116-D320 HydrophobicContact CD1-CB 4.23Å; T117-D320 WeakPolarHBondContact CB-OD1 3.3Å; T117-D320 VanDerWaalsContact CG2-OD1 3.24Å; T117-D320 WeakPolarHBondContact CG2-OD1 3.23Å; T117-D320 PolarHBondContact N-OD1 3.41Å; T117-D320 PolarHBondContact N-OD2 3.26Å; T117-D320 PolarHBondContact OG1-OD1 3.44Å; T120-D320 WeakPolarHBondContact CB-OD1 3.45Å; T120-D320 HydrophobicContact CG2-CB 4.21Å; T120-D320 PolarHBondContact OG1-N 2.91Å; T120-D320 PolarHBondContact OG1-OD1 2.86Å
321Y93.9Very high71.8Confident29 Ų2996.4 Ų96.411%0.11452%0.516CS..THydrogen-bonded Turntrans-99.61.2-178.552.8-103.5000114.4L109 T120 L124 I152 L158 L319L109-Y321 HydrophobicContact CD1-CD1 3.77Å; L109-Y321 HydrophobicContact CD1-CE1 4.17Å; L109-Y321 HydrophobicContact CD1-CG 4.06Å; L109-Y321 HydrophobicContact CD2-CG 4.47Å; T120-Y321 HydrophobicContact CG2-CD1 4.21Å; T120-Y321 HydrophobicContact CG2-CE1 3.85Å; L124-Y321 HydrophobicContact CD2-CE1 4.2Å; I152-Y321 HydrophobicContact CD1-CD2 3.98Å; I152-Y321 HydrophobicContact CD1-CE2 4.28Å; I152-Y321 HydrophobicContact CD1-CG 4.5Å; I152-Y321 HydrophobicContact CG2-CE1 4.28Å; I152-Y321 HydrophobicContact CG2-CE2 3.96Å; L158-Y321 WeakPolarHBondContact O-CE2 3.42Å; L319-Y321 HydrophobicContact CB-CD1 4.42Å; L319-Y321 HydrophobicContact CB-CD2 4.37Å; L319-Y321 HydrophobicContact CB-CE1 4.14Å; L319-Y321 HydrophobicContact CB-CE2 4.06Å; L319-Y321 HydrophobicContact CD1-CE1 4.31Å; L319-Y321 HydrophobicContact CD1-CE2 3.75Å; L319-Y321 VanDerWaalsContact CD1-CZ 3.49Å; L319-Y321 WeakPolarHBondContact CD1-OH 3.37Å; L319-Y321 PolarHBondContact O-N 2.99Å
322E92.2Very high68.9Low65 Ų65101.6 Ų101.630%0.30454%0.537SS..THydrogen-bonded Turntrans-89.9-26.1174.4-70.1-179.1134.400112.3R159 L319R159-E322 WeakPolarHBondContact CD-OE1 3.33Å; R159-E322 WeakPolarHBondContact CG-OE1 3.49Å; R159-E322 IonicContact CZ-OE1 3.03Å; R159-E322 IonicContact CZ-OE2 2.77Å; R159-E322 IonicContact NE-OE1 2.85Å; R159-E322 PolarHBondContact NE-OE1 2.91Å; R159-E322 IonicContact NE-OE2 2.67Å; R159-E322 PolarHBondContact NE-OE2 3Å; R159-E322 IonicContact NH2-OE1 2.71Å; R159-E322 IonicContact NH2-OE2 2.69Å; R159-E322 PolarHBondContact NH2-OE2 3.43Å; L319-E322 HydrophobicContact CB-CG 4.04Å; L319-E322 HydrophobicContact CG-CG 4.46Å; L319-E322 PolarHBondContact N-OE2 2.68Å; L319-E322 PolarHBondContact O-N 3.25Å
323S77.2Confident66.1Low53 Ų53103.7 Ų103.737%0.37154%0.54SS..  trans-82.5120.2177.558.10000111.2R325S323-R325 PolarHBondContact O-N 2.8Å
324K60.3Low63.4Low219 Ų219110.2 Ų110.295%0.95257%0.57SS**SBendtrans-58.5-13.2168-73.4-173.7177.9-178.70113.7L326K324-L326 PolarHBondContact O-N 2.82Å
325R43.2Very low60.8Low233 Ų233113.2 Ų113.288%0.87959%0.587SS**  trans-78.357.1177.7-69.7-171.9178.1-165.70.3111.5S323 S327S323-R325 PolarHBondContact O-N 2.8Å; R325-S327 VanDerWaalsContact C-N 3.32Å; R325-S327 PolarHBondContact O-N 2.85Å
326L44.8Very low58.3Low92 Ų92119.8 Ų119.848%0.48261%0.609SS.*  trans-86.282.9161.7-70.5167000107.1K324 H328K324-L326 PolarHBondContact O-N 2.82Å; L326-H328 PolarHBondContact O-N 3.25Å
327S36.3Very low56Low104 Ų104119.1 Ų119.173%0.72761%0.612SS**  trans-60.3123.7160.254.10000107.2R325 S329R325-S327 VanDerWaalsContact C-N 3.32Å; R325-S327 PolarHBondContact O-N 2.85Å; S327-S329 PolarHBondContact O-N 2.81Å
328H35.2Very low53.5Low184 Ų184123.8 Ų123.885%0.85263%0.631SS**  trans-46.897176.1-65.666.9000110.4L326 S330L326-H328 PolarHBondContact O-N 3.25Å; H328-S330 VanDerWaalsContact C-N 3.34Å; H328-S330 PolarHBondContact O-N 2.89Å; H328-S330 VanDerWaalsContact O-N 3.17Å
329S35.3Very low50.9Low78 Ų78124.8 Ų124.855%0.54565%0.646SS.*  trans-74.6100.1156.750.90000105.3S327S327-S329 PolarHBondContact O-N 2.81Å
330S32.9Very low48.6Very low101 Ų101134.4 Ų134.471%0.70669%0.688SS**  trans-46132.8174.4-470000109.4H328 K332H328-S330 VanDerWaalsContact C-N 3.34Å; H328-S330 PolarHBondContact O-N 2.89Å; H328-S330 VanDerWaalsContact O-N 3.17Å; S330-K332 PolarHBondContact O-N 3.37Å; S330-K332 VanDerWaalsContact O-N 3.16Å
331P35.9Very low46.3Very low123 Ų123147.2 Ų147.280%0.79974%0.743SS**  trans-55.5126-179.219.3-29.6000109.1S333P331-S333 PolarHBondContact O-N 3.41Å
332K34.3Very low43.9Very low201 Ų201153.2 Ų153.287%0.87477%0.774SS**  trans-55.6110.4173.8-75.6179.6178.8172.60107.4S330 H334S330-K332 PolarHBondContact O-N 3.37Å; S330-K332 VanDerWaalsContact O-N 3.16Å; K332-H334 PolarHBondContact O-N 2.86Å
333S32.7Very low41.4Very low114 Ų114157.8 Ų157.880%0.79780%0.799SS**  trans-55.9121.5175.745.90000109.2P331P331-S333 PolarHBondContact O-N 3.41Å
334H37Very low39.4Very low173 Ų173163.6 Ų163.680%0.80182%0.823SS**  trans-56.6139.4169.1-74.4-16.6000109.7K332 K336K332-H334 PolarHBondContact O-N 2.86Å; H334-K336 PolarHBondContact O-N 3.24Å
335P37.3Very low38.2Very low124 Ų124160.4 Ų160.481%0.80582%0.815SS**  trans-62.2115.4-174.923.1-31.1000110K337P335-K337 PolarHBondContact O-N 3.45Å
336K35.2Very low37.9Very low206 Ų206155.8 Ų155.890%0.89681%0.811SS**  trans-57.2121.1170.7-73.3-176.7176.5-179.50108.5H334 K338H334-K336 PolarHBondContact O-N 3.24Å; K336-K338 PolarHBondContact O-N 2.83Å
337K40.6Very low37.4Very low208 Ų208160.1 Ų160.190%0.90483%0.833SS**  trans-47.5121171.2-76.1178.4175.21760108.8P335 A339P335-K337 PolarHBondContact O-N 3.45Å; K337-A339 PolarHBondContact O-N 3.19Å; K337-A339 VanDerWaalsContact O-N 3.12Å
338K35.1Very low37.5Very low201 Ų201164.1 Ų164.187%0.87484%0.841SS**  trans-60114.6168.2-80.7-178.1174.6178.20107.7K336 K340K336-K338 PolarHBondContact O-N 2.83Å; K338-K340 PolarHBondContact O-N 2.63Å
339A39.4Very low37.6Very low97 Ų97162.5 Ų162.580%0.80284%0.84SS**  trans-58.9118.1163.900000107.5K337K337-A339 PolarHBondContact O-N 3.19Å; K337-A339 VanDerWaalsContact O-N 3.12Å
340K46.1Very low37.8Very low206 Ų206169.6 Ų169.690%0.89687%0.865SS**  trans-66.7131163.7-76.6-177.8175.1-179.80106.7K338K338-K340 PolarHBondContact O-N 2.63Å
341K47.5Very low38.3Very low281 Ų281175.8 Ų175.8100%1.22288%0.879SS**  trans-54.30172.6-85.8-175.6172.9-176.50111.6

Retrieved 341 of 341 residues in 116.9 ms (Link to these results)

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