X6REM1_HUMAN Loading...

Dermatan sulfate epimerase

AlphaFold DB , UniProt , Accession X6REM1, Species HUMAN (Homo sapiens, Human), Gene DSE, Length 144 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M36.3Very low51.8Low235 Ų235123.5 Ų123.5100%1.15865%0.651SS**  0109.90-82.8157.672.300108.6
2R43.3Very low52.9Low239 Ų239126.2 Ų126.290%0.90265%0.653SS**  trans-99.5107.7171.3-84.7-178.5170.3171.3-2.7107.6H4R2-H4 PolarHBondContact O-N 3.27Å
3T46.3Very low53.8Low126 Ų126127.2 Ų127.277%0.77365%0.65SS**  trans-81.4105.3175.337.90000108.7T5T3-T5 PolarHBondContact O-N 3.25Å
4H48.3Very low55.1Low136 Ų136125.4 Ų125.463%0.6364%0.641SS**  trans-74.6100.6171.5-94.4-71.3000109.8R2 R6R2-H4 PolarHBondContact O-N 3.27Å; H4-R6 HydrophobicContact CB-CB 4.49Å; H4-R6 PolarHBondContact O-N 3.19Å; H4-R6 VanDerWaalsContact O-N 3.11Å
5T53.1Low55.9Low119 Ų119126.9 Ų126.973%0.7364%0.637SS**  trans-82.364.1162.742.70000109.6T3 G7T3-T5 PolarHBondContact O-N 3.25Å; T5-G7 PolarHBondContact O-N 2.79Å
6R53.3Low56.8Low206 Ų206125.7 Ų125.778%0.77763%0.632SS**  trans-84.90.1-172.7-114.6-179.9175.9172-3115.4H4H4-R6 HydrophobicContact CB-CB 4.49Å; H4-R6 PolarHBondContact O-N 3.19Å; H4-R6 VanDerWaalsContact O-N 3.11Å
7G54.1Low57.4Low43 Ų43125.4 Ų125.444%0.44363%0.632SS.*SBendtrans-123.7-19.6-172.600000116.9T5 S10 V11T5-G7 PolarHBondContact O-N 2.79Å; G7-S10 PolarHBondContact O-OG 3.1Å; G7-V11 VanDerWaalsContact O-CG2 3.28Å; G7-V11 WeakPolarHBondContact O-CG2 3.16Å
8A54.1Low57.8Low55 Ų55122.4 Ų122.446%0.45562%0.624SS.*Hα-helixtrans-70.5-51.7-178.100000113.6S10 V11 F12A8-S10 PolarHBondContact O-N 3.32Å; A8-V11 PolarHBondContact O-N 3.08Å; A8-F12 WeakPolarHBondContact O-CD2 3.44Å; A8-F12 PolarHBondContact O-N 3.43Å
9P58.7Low58.1Low70 Ų70122.8 Ų122.846%0.45562%0.621SS.*Hα-helixtrans-67.2-34.4-174.124.2-31.9000112.8V11 F12 F13P9-V11 PolarHBondContact O-N 3.02Å; P9-F12 PolarHBondContact O-N 2.89Å; P9-F13 VanDerWaalsContact O-CD2 3.3Å; P9-F13 WeakPolarHBondContact O-CD2 3.42Å; P9-F13 PolarHBondContact O-N 2.83Å
10S59.1Low58.3Low57 Ų57120.7 Ų120.740%0.39962%0.615SS.*Hα-helixtrans-64.2-39.1178.134.20000112.7G7 A8 F13 I14G7-S10 PolarHBondContact O-OG 3.1Å; A8-S10 PolarHBondContact O-N 3.32Å; S10-F13 PolarHBondContact O-N 2.66Å; S10-I14 WeakPolarHBondContact O-CD1 3.3Å; S10-I14 VanDerWaalsContact O-CG1 3.25Å; S10-I14 WeakPolarHBondContact O-CG1 3.36Å; S10-I14 PolarHBondContact O-N 3.44Å
11V62.9Low58.5Low72 Ų72118.2 Ų118.244%0.43661%0.608SS.*Hα-helixtrans-67.6-42.7177174.50000111G7 A8 P9 F13 I14 Y15G7-V11 VanDerWaalsContact O-CG2 3.28Å; G7-V11 WeakPolarHBondContact O-CG2 3.16Å; A8-V11 PolarHBondContact O-N 3.08Å; P9-V11 PolarHBondContact O-N 3.02Å; V11-F13 VanDerWaalsContact C-N 3.34Å; V11-F13 PolarHBondContact O-N 3.25Å; V11-I14 PolarHBondContact O-N 2.77Å; V11-Y15 HydrophobicContact CG1-CD2 3.54Å; V11-Y15 HydrophobicContact CG1-CE2 3.38Å; V11-Y15 WeakPolarHBondContact O-CD2 3.45Å; V11-Y15 PolarHBondContact O-N 3.05Å
12F64.9Low59.6Low156 Ų156110 Ų11068%0.68458%0.577SS**Hα-helixtrans-60.5-42.2173.6-77.9-72.5000112.4A8 P9 Y15 L16A8-F12 WeakPolarHBondContact O-CD2 3.44Å; A8-F12 PolarHBondContact O-N 3.43Å; P9-F12 PolarHBondContact O-N 2.89Å; F12-Y15 PolarHBondContact O-N 3.33Å; F12-L16 VanDerWaalsContact O-CB 3.27Å; F12-L16 WeakPolarHBondContact O-CB 3.44Å; F12-L16 PolarHBondContact O-N 3.43Å
13F65.1Low60.5Low139 Ų139108 Ų10861%0.6157%0.572SS**Hα-helixtrans-65-40.2176.7-93.7-79.7000112.4P9 S10 V11 L16 L17P9-F13 VanDerWaalsContact O-CD2 3.3Å; P9-F13 WeakPolarHBondContact O-CD2 3.42Å; P9-F13 PolarHBondContact O-N 2.83Å; S10-F13 PolarHBondContact O-N 2.66Å; V11-F13 VanDerWaalsContact C-N 3.34Å; V11-F13 PolarHBondContact O-N 3.25Å; F13-L16 PolarHBondContact O-N 3.02Å; F13-L17 VanDerWaalsContact O-CB 3.28Å; F13-L17 WeakPolarHBondContact O-CB 3.44Å; F13-L17 WeakPolarHBondContact O-CD1 3.25Å; F13-L17 PolarHBondContact O-N 3.46Å
14I71.3Confident62Low102 Ų102108.4 Ų108.452%0.52357%0.567SS.*Hα-helixtrans-64.8-47.6175.9-68.2163.9000110.4S10 V11 L16 L17 C18S10-I14 WeakPolarHBondContact O-CD1 3.3Å; S10-I14 VanDerWaalsContact O-CG1 3.25Å; S10-I14 WeakPolarHBondContact O-CG1 3.36Å; S10-I14 PolarHBondContact O-N 3.44Å; V11-I14 PolarHBondContact O-N 2.77Å; I14-L16 PolarHBondContact O-N 3.28Å; I14-L17 PolarHBondContact O-N 3.12Å; I14-C18 WeakPolarHBondContact O-CB 3.41Å; I14-C18 PolarHBondContact O-N 3.22Å; I14-C18 PolarHBondContact O-SG 2.91Å
15Y68.4Low63.6Low148 Ų148104.7 Ų104.758%0.5856%0.555SS**Hα-helixtrans-61.7-44.1177-81.6-67000111.8V11 F12 L17 C18 F19V11-Y15 HydrophobicContact CG1-CD2 3.54Å; V11-Y15 HydrophobicContact CG1-CE2 3.38Å; V11-Y15 WeakPolarHBondContact O-CD2 3.45Å; V11-Y15 PolarHBondContact O-N 3.05Å; F12-Y15 PolarHBondContact O-N 3.33Å; Y15-L17 PolarHBondContact O-N 3.34Å; Y15-C18 PolarHBondContact O-N 3.25Å; Y15-F19 WeakPolarHBondContact O-CB 3.35Å; Y15-F19 VanDerWaalsContact O-CD2 3.23Å; Y15-F19 WeakPolarHBondContact O-CD2 3.47Å; Y15-F19 PolarHBondContact O-N 3.29Å
16L69.8Low65.3Low108 Ų108106.7 Ų106.757%0.56556%0.561SS**Hα-helixtrans-62.4-42.6176.6-173.572.2000111.5F12 F13 I14 F19 V20F12-L16 VanDerWaalsContact O-CB 3.27Å; F12-L16 WeakPolarHBondContact O-CB 3.44Å; F12-L16 PolarHBondContact O-N 3.43Å; F13-L16 PolarHBondContact O-N 3.02Å; I14-L16 PolarHBondContact O-N 3.28Å; L16-F19 PolarHBondContact O-N 3.28Å; L16-V20 HydrophobicContact CG-CG2 4.48Å; L16-V20 WeakPolarHBondContact O-CB 3.48Å; L16-V20 WeakPolarHBondContact O-CG2 3.4Å; L16-V20 PolarHBondContact O-N 2.99Å
17L66.2Low67Low120 Ų120104.2 Ų104.263%0.62856%0.558SS**Hα-helixtrans-62.9-42.3173.8-92.6151.1000112.1F13 I14 Y15 S21F13-L17 VanDerWaalsContact O-CB 3.28Å; F13-L17 WeakPolarHBondContact O-CB 3.44Å; F13-L17 WeakPolarHBondContact O-CD1 3.25Å; F13-L17 PolarHBondContact O-N 3.46Å; I14-L17 PolarHBondContact O-N 3.12Å; Y15-L17 PolarHBondContact O-N 3.34Å; L17-S21 WeakPolarHBondContact O-CB 3.37Å; L17-S21 PolarHBondContact O-N 2.81Å
18C65.8Low68.6Low72 Ų72106.8 Ų106.849%0.48656%0.562SS.*Hα-helixtrans-65.4-42176.1-70.90000111.8I14 Y15 S21 A22I14-C18 WeakPolarHBondContact O-CB 3.41Å; I14-C18 PolarHBondContact O-N 3.22Å; I14-C18 PolarHBondContact O-SG 2.91Å; Y15-C18 PolarHBondContact O-N 3.25Å; C18-S21 PolarHBondContact O-N 3.35Å; C18-A22 WeakPolarHBondContact O-CB 3.26Å; C18-A22 PolarHBondContact O-N 2.92Å
19F62.8Low70.1Confident130 Ų130109.7 Ų109.757%0.5758%0.576SS**Hα-helixtrans-65.2-48.9175.8-91.1-74.1000111.1Y15 L16 S21 A22 Y23Y15-F19 WeakPolarHBondContact O-CB 3.35Å; Y15-F19 VanDerWaalsContact O-CD2 3.23Å; Y15-F19 WeakPolarHBondContact O-CD2 3.47Å; Y15-F19 PolarHBondContact O-N 3.29Å; L16-F19 PolarHBondContact O-N 3.28Å; F19-S21 VanDerWaalsContact C-N 3.26Å; F19-S21 PolarHBondContact O-N 2.96Å; F19-A22 PolarHBondContact O-N 3.37Å; F19-A22 VanDerWaalsContact O-N 3.12Å; F19-Y23 HydrophobicContact CD1-CE2 4.36Å; F19-Y23 VanDerWaalsContact O-CD2 3.23Å; F19-Y23 WeakPolarHBondContact O-CD2 3.33Å; F19-Y23 PolarHBondContact O-N 2.76Å; F19-Y23 VanDerWaalsContact O-N 3.14Å
20V63.3Low71.7Confident81 Ų81114.1 Ų114.149%0.49159%0.59SS.*Hα-helixtrans-60.5-39.3175.9173.60000110.6L16 A22 Y23 I24L16-V20 HydrophobicContact CG-CG2 4.48Å; L16-V20 WeakPolarHBondContact O-CB 3.48Å; L16-V20 WeakPolarHBondContact O-CG2 3.4Å; L16-V20 PolarHBondContact O-N 2.99Å; V20-A22 VanDerWaalsContact C-N 3.33Å; V20-A22 PolarHBondContact O-N 2.92Å; V20-Y23 PolarHBondContact O-N 3.04Å; V20-I24 WeakPolarHBondContact O-CG1 3.5Å; V20-I24 WeakPolarHBondContact O-CG2 3.42Å; V20-I24 PolarHBondContact O-N 3.02Å
21S60.8Low73.4Confident68 Ų68115 Ų11548%0.47659%0.594SS.*Hα-helixtrans-63.9-33.7175.1-170.10000113.4L17 C18 F19 Y23 I24L17-S21 WeakPolarHBondContact O-CB 3.37Å; L17-S21 PolarHBondContact O-N 2.81Å; C18-S21 PolarHBondContact O-N 3.35Å; F19-S21 VanDerWaalsContact C-N 3.26Å; F19-S21 PolarHBondContact O-N 2.96Å; S21-Y23 VanDerWaalsContact C-N 3.34Å; S21-I24 WeakPolarHBondContact O-CG1 3.24Å
22A60.5Low74.8Confident62 Ų62120.6 Ų120.651%0.51262%0.617SS.*Hα-helixtrans-75.9-21.9176.600000112.8C18 F19 V20 T25C18-A22 WeakPolarHBondContact O-CB 3.26Å; C18-A22 PolarHBondContact O-N 2.92Å; F19-A22 PolarHBondContact O-N 3.37Å; F19-A22 VanDerWaalsContact O-N 3.12Å; V20-A22 VanDerWaalsContact C-N 3.33Å; V20-A22 PolarHBondContact O-N 2.92Å; A22-T25 WeakPolarHBondContact O-CG2 3.45Å
23Y61.4Low76.2Confident199 Ų199119.4 Ų119.478%0.7862%0.616SS**Hα-helixtrans-92.9-9.9177.2-81.8-74.9000114.3F19 V20 S21F19-Y23 HydrophobicContact CD1-CE2 4.36Å; F19-Y23 VanDerWaalsContact O-CD2 3.23Å; F19-Y23 WeakPolarHBondContact O-CD2 3.33Å; F19-Y23 PolarHBondContact O-N 2.76Å; F19-Y23 VanDerWaalsContact O-N 3.14Å; V20-Y23 PolarHBondContact O-N 3.04Å; S21-Y23 VanDerWaalsContact C-N 3.34Å
24I77.4Confident77.5Confident133 Ų133117.4 Ų117.468%0.68262%0.618SS**SBendtrans-95.5-10.4174.358.9176.4000113.3V20 S21V20-I24 WeakPolarHBondContact O-CG1 3.5Å; V20-I24 WeakPolarHBondContact O-CG2 3.42Å; V20-I24 PolarHBondContact O-N 3.02Å; S21-I24 WeakPolarHBondContact O-CG1 3.24Å
25T83.1Confident78.5Confident59 Ų59121.6 Ų121.636%0.36263%0.632SS.*  trans-86.5145.1177.7-172.90000110.6A22 E27A22-T25 WeakPolarHBondContact O-CG2 3.45Å; T25-E27 VanDerWaalsContact C-N 3.27Å; T25-E27 HydrophobicContact CG2-CB 4.26Å; T25-E27 WeakPolarHBondContact OG1-CB 3.45Å; T25-E27 WeakPolarHBondContact OG1-CG 3.44Å; T25-E27 PolarHBondContact OG1-N 3.32Å
26D88.1Confident79.4Confident161 Ų161119.5 Ų119.586%0.86164%0.635SS**  trans-85.6-1.7170.565.5-32.6000112.3
27E88.7Confident80.4Confident154 Ų154121.2 Ų121.272%0.7265%0.645SS**  trans-72129.1178.1-66.2179.4-164.800112.2T25 P29T25-E27 VanDerWaalsContact C-N 3.27Å; T25-E27 HydrophobicContact CG2-CB 4.26Å; T25-E27 WeakPolarHBondContact OG1-CB 3.45Å; T25-E27 WeakPolarHBondContact OG1-CG 3.44Å; T25-E27 PolarHBondContact OG1-N 3.32Å; E27-P29 WeakPolarHBondContact O-CD 3.46Å
28N88Confident81.4Confident97 Ų97119 Ų11952%0.51964%0.644SS.*  trans-108.1102.1172.4179.511.1000110.5E30 V31N28-E30 PolarHBondContact O-N 2.97Å; N28-E30 WeakPolarHBondContact OD1-CB 3.28Å; N28-E30 PolarHBondContact OD1-N 3.03Å; N28-V31 WeakPolarHBondContact O-CB 3.48Å; N28-V31 VanDerWaalsContact O-CG1 3.31Å; N28-V31 WeakPolarHBondContact O-CG1 3.48Å; N28-V31 PolarHBondContact O-N 3.14Å
29P86.9Confident82.4Confident116 Ų116120.1 Ų120.175%0.75365%0.645SS**THydrogen-bonded Turntrans-68.4-16.3179.728.4-34.9000113.7E27 V31E27-P29 WeakPolarHBondContact O-CD 3.46Å; P29-V31 VanDerWaalsContact C-N 3.26Å; P29-V31 PolarHBondContact O-N 3.34Å
30E91.7Very high83.1Confident162 Ų162123 Ų12376%0.75765%0.653SS**THydrogen-bonded Turntrans-85.34.8178.3-58.2-62.413800112.8N28 M32N28-E30 PolarHBondContact O-N 2.97Å; N28-E30 WeakPolarHBondContact OD1-CB 3.28Å; N28-E30 PolarHBondContact OD1-N 3.03Å; E30-M32 PolarHBondContact O-N 3.29Å
31V93.5Very high84.3Confident77 Ų77126.5 Ų126.547%0.46767%0.669SS.*  trans-62.7130.4176.270.20000110.3N28 P29 I33N28-V31 WeakPolarHBondContact O-CB 3.48Å; N28-V31 VanDerWaalsContact O-CG1 3.31Å; N28-V31 WeakPolarHBondContact O-CG1 3.48Å; N28-V31 PolarHBondContact O-N 3.14Å; P29-V31 VanDerWaalsContact C-N 3.26Å; P29-V31 PolarHBondContact O-N 3.34Å; V31-I33 HydrophobicContact CG2-CB 4.26Å; V31-I33 HydrophobicContact CG2-CD1 3.98Å; V31-I33 HydrophobicContact CG2-CG1 3.98Å; V31-I33 PolarHBondContact O-N 2.75Å
32M93.6Very high85.7Confident188 Ų188125.6 Ų125.693%0.92666%0.663SS**SBendtrans-79.234.6-178.6-62.1-176.566.700113.2E30E30-M32 PolarHBondContact O-N 3.29Å
33I94.1Very high87.4Confident131 Ų131128.9 Ų128.967%0.67267%0.668SS**  trans-114.2104.6177-60.7172.4000107.1V31V31-I33 HydrophobicContact CG2-CB 4.26Å; V31-I33 HydrophobicContact CG2-CD1 3.98Å; V31-I33 HydrophobicContact CG2-CG1 3.98Å; V31-I33 PolarHBondContact O-N 2.75Å
34P92Very high89Confident98 Ų98121.6 Ų121.664%0.63665%0.645SS**  trans-68.1138.9-178.627.3-33000111T36P34-T36 HydrophobicContact CG-CG2 4.4Å; P34-T36 PolarHBondContact O-N 3.5Å
35F91.9Very high89.9Confident189 Ų189119.2 Ų119.283%0.82963%0.631SS**  trans-75.4102.8167.2178.5-106.9000109.5
36T89Confident90.5Very high105 Ų105123.9 Ų123.964%0.64465%0.653SS**PPolyproline II helixtrans-93.9128.6178.656.50000110.7P34P34-T36 HydrophobicContact CG-CG2 4.4Å; P34-T36 PolarHBondContact O-N 3.5Å
37N89.1Confident90.9Very high143 Ų143126.4 Ų126.477%0.76565%0.652SS**PPolyproline II helixtrans-63.2141.8172.9-78.2-36000111.2
38A87.3Confident91.3Very high74 Ų74120.9 Ų120.961%0.61263%0.626SS**PPolyproline II helixtrans-68.9139.6-178.600000112.2
39N88.2Confident91.7Very high95 Ų95118.5 Ų118.551%0.50862%0.617SS.*  trans-134105.7167-179.81.2000108.7D41 S42N39-D41 PolarHBondContact O-N 3.28Å; N39-D41 PolarHBondContact OD1-N 2.92Å; N39-S42 WeakPolarHBondContact CB-OG 3.44Å; N39-S42 PolarHBondContact O-N 3.47Å; N39-S42 PolarHBondContact O-OG 3.41Å; N39-S42 VanDerWaalsContact O-OG 3.08Å
40Y77.4Confident92.1Very high191 Ų191122.6 Ų122.675%0.74962%0.617SS**THydrogen-bonded Turntrans-65.4-22.7-168.6-73.6-82.5000114.4
41D86.9Confident92.4Very high154 Ų154119.2 Ų119.282%0.82462%0.617SS**THydrogen-bonded Turntrans-102.36.4-177.2-70.4-22.9000113.3N39N39-D41 PolarHBondContact O-N 3.28Å; N39-D41 PolarHBondContact OD1-N 2.92Å
42S91.7Very high92.6Very high50 Ų50119.9 Ų119.935%0.3562%0.615SS.*  trans-106.4122.5177.6670000111.6N39N39-S42 WeakPolarHBondContact CB-OG 3.44Å; N39-S42 PolarHBondContact O-N 3.47Å; N39-S42 PolarHBondContact O-OG 3.41Å; N39-S42 VanDerWaalsContact O-OG 3.08Å
43H94.8Very high92.8Very high131 Ų131112.1 Ų112.161%0.60658%0.579SS**SBendtrans-124.5147.7175.5-65.4-68.8000111.8
44P96.4Very high93Very high46 Ų46108.7 Ų108.730%0.29957%0.57SS.*  cis-70.3160.6-6-2035.8000113.4F48 S49P44-F48 CarbonylContact C-O 3.24Å; P44-F48 VanDerWaalsContact C-O 3.24Å; P44-F48 HydrophobicContact CB-CD2 4.19Å; P44-F48 HydrophobicContact CB-CE2 3.91Å; P44-F48 HydrophobicContact CG-CD2 4.39Å; P44-F48 HydrophobicContact CG-CE2 3.84Å; P44-S49 WeakPolarHBondContact O-CA 3.42Å
45M95.5Very high93.3Very high82 Ų82108.1 Ų108.140%0.40456%0.558SS.*  trans-148.33.4-178.863.2173.9-74.200115.4F48M45-F48 PolarHBondContact N-O 2.85Å
46L95Very high93.6Very high157 Ų157101 Ų10182%0.82253%0.529SS*.SBendtrans-80.2-50.8-177.5-69.3178.1000112.5
47Y96.4Very high94.1Very high214 Ų21499.2 Ų99.284%0.83951%0.513SS*.SBendtrans-120.9-23-177.4-65.1-78.7000113.6
48F97Very high94.6Very high39 Ų3997.7 Ų97.717%0.17151%0.505CS..SBendtrans-154.4155.4-178.652-93.6000108.8P44 M45 E52 V53 L56 M111 V114P44-F48 CarbonylContact C-O 3.24Å; P44-F48 VanDerWaalsContact C-O 3.24Å; P44-F48 HydrophobicContact CB-CD2 4.19Å; P44-F48 HydrophobicContact CB-CE2 3.91Å; P44-F48 HydrophobicContact CG-CD2 4.39Å; P44-F48 HydrophobicContact CG-CE2 3.84Å; M45-F48 PolarHBondContact N-O 2.85Å; F48-E52 HydrophobicContact CB-CB 4.26Å; F48-V53 HydrophobicContact CD2-CG2 4.17Å; F48-V53 HydrophobicContact CE2-CG2 4.04Å; F48-L56 HydrophobicContact CB-CD1 4.24Å; F48-L56 HydrophobicContact CD1-CD1 3.77Å; F48-L56 HydrophobicContact CD2-CD1 3.77Å; F48-L56 HydrophobicContact CE1-CD1 4Å; F48-L56 HydrophobicContact CE2-CD1 3.98Å; F48-L56 HydrophobicContact CG-CD1 3.66Å; F48-L56 HydrophobicContact CZ-CD1 4.11Å; F48-M111 HydrophobicContact CE1-CE 4.39Å; F48-M111 HydrophobicContact CE1-SD 4.1Å; F48-M111 HydrophobicContact CZ-CE 4.31Å; F48-M111 HydrophobicContact CZ-SD 4.3Å; F48-V114 HydrophobicContact CE2-CG1 3.96Å; F48-V114 HydrophobicContact CZ-CG1 3.97Å; F48-V114 HydrophobicContact CZ-CG2 4.35Å
49S96.8Very high95.1Very high47 Ų4799.2 Ų99.233%0.32949%0.494SS..  trans-86.7166.4173.470.90000111.8P44 A51 E52P44-S49 WeakPolarHBondContact O-CA 3.42Å; S49-A51 PolarHBondContact O-N 2.86Å; S49-E52 VanDerWaalsContact CB-OE2 3.26Å; S49-E52 WeakPolarHBondContact CB-OE2 3.45Å; S49-E52 PolarHBondContact N-OE2 2.82Å; S49-E52 PolarHBondContact O-N 3.1Å; S49-E52 VanDerWaalsContact O-N 3.15Å; S49-E52 PolarHBondContact OG-OE2 3.38Å
50R96.8Very high95.6Very high201 Ų20195 Ų9576%0.75847%0.473SS*.G310 helixtrans-56.9-33.5173.1-171.5176.4-177.5-171.82113.4E52 V53R50-E52 PolarHBondContact O-N 3.19Å; R50-V53 PolarHBondContact O-N 3.36Å
51A96.2Very high96.6Very high91 Ų9189.7 Ų89.775%0.75247%0.469SS*.G310 helixtrans-68.3-25.7-178.700000112.5S49S49-A51 PolarHBondContact O-N 2.86Å
52E97.9Very high97.2Very high91 Ų9185.8 Ų85.843%0.42545%0.454SS..G310 helixtrans-85.3-12-177.7-67.7164.596.300113F48 S49 R50 A54 E55 L56F48-E52 HydrophobicContact CB-CB 4.26Å; S49-E52 VanDerWaalsContact CB-OE2 3.26Å; S49-E52 WeakPolarHBondContact CB-OE2 3.45Å; S49-E52 PolarHBondContact N-OE2 2.82Å; S49-E52 PolarHBondContact O-N 3.1Å; S49-E52 VanDerWaalsContact O-N 3.15Å; S49-E52 PolarHBondContact OG-OE2 3.38Å; R50-E52 PolarHBondContact O-N 3.19Å; E52-A54 VanDerWaalsContact C-N 3.29Å; E52-A54 PolarHBondContact O-N 3.36Å; E52-E55 WeakPolarHBondContact O-CB 3.47Å; E52-E55 PolarHBondContact O-N 3.49Å; E52-E55 VanDerWaalsContact O-N 3.09Å; E52-L56 WeakPolarHBondContact O-CG 3.49Å; E52-L56 PolarHBondContact O-N 3.06Å
53V98.4Very high97.5Very high26 Ų2686.9 Ų86.916%0.15846%0.461CS..Hα-helixtrans-57.9-40.8-177.6174.50000112.1F48 R50 E55 L56 Q57 V114F48-V53 HydrophobicContact CD2-CG2 4.17Å; F48-V53 HydrophobicContact CE2-CG2 4.04Å; R50-V53 PolarHBondContact O-N 3.36Å; V53-E55 VanDerWaalsContact C-N 3.31Å; V53-E55 PolarHBondContact O-N 2.95Å; V53-L56 WeakPolarHBondContact O-CB 3.36Å; V53-L56 PolarHBondContact O-N 2.93Å; V53-Q57 HydrophobicContact CG1-CG 4.5Å; V53-Q57 WeakPolarHBondContact O-CG 3.48Å; V53-Q57 PolarHBondContact O-N 3.14Å; V53-V114 HydrophobicContact CG1-CG1 4Å; V53-V114 HydrophobicContact CG2-CG1 4.28Å
54A98.4Very high97.7Very high59 Ų5984.5 Ų84.549%0.48845%0.45SS..Hα-helixtrans-62.6-38.7178.900000112.1E52 Q57 L58E52-A54 VanDerWaalsContact C-N 3.29Å; E52-A54 PolarHBondContact O-N 3.36Å; A54-Q57 PolarHBondContact O-N 3.3Å; A54-L58 WeakPolarHBondContact O-CG 3.47Å; A54-L58 PolarHBondContact O-N 3.09Å
55E98.6Very high97.8Very high85 Ų8588.5 Ų88.540%0.39747%0.465SS..Hα-helixtrans-68.3-38.5175.6172.761.1-167.300111.4E52 V53 Q57 L58 R59E52-E55 WeakPolarHBondContact O-CB 3.47Å; E52-E55 PolarHBondContact O-N 3.49Å; E52-E55 VanDerWaalsContact O-N 3.09Å; V53-E55 VanDerWaalsContact C-N 3.31Å; V53-E55 PolarHBondContact O-N 2.95Å; E55-Q57 VanDerWaalsContact C-N 3.31Å; E55-Q57 PolarHBondContact O-N 3.44Å; E55-L58 PolarHBondContact O-N 3.27Å; E55-R59 WeakPolarHBondContact O-CG 3.49Å; E55-R59 PolarHBondContact O-N 3.19Å; E55-R59 IonicContact OE1-CZ 3.37Å; E55-R59 IonicContact OE1-NE 2.76Å; E55-R59 PolarHBondContact OE1-NE 3.09Å; E55-R59 IonicContact OE1-NH2 3.09Å; E55-R59 PolarHBondContact OE1-NH2 3.11Å
56L98.8Very high97.9Very high40 Ų4090.7 Ų90.721%0.20947%0.474CS..Hα-helixtrans-61.5-40.4174.5-64.1177000112F48 E52 V53 R59 A60 M111 L115F48-L56 HydrophobicContact CB-CD1 4.24Å; F48-L56 HydrophobicContact CD1-CD1 3.77Å; F48-L56 HydrophobicContact CD2-CD1 3.77Å; F48-L56 HydrophobicContact CE1-CD1 4Å; F48-L56 HydrophobicContact CE2-CD1 3.98Å; F48-L56 HydrophobicContact CG-CD1 3.66Å; F48-L56 HydrophobicContact CZ-CD1 4.11Å; E52-L56 WeakPolarHBondContact O-CG 3.49Å; E52-L56 PolarHBondContact O-N 3.06Å; V53-L56 WeakPolarHBondContact O-CB 3.36Å; V53-L56 PolarHBondContact O-N 2.93Å; L56-R59 PolarHBondContact O-N 3.04Å; L56-A60 WeakPolarHBondContact O-CB 3.25Å; L56-A60 PolarHBondContact O-N 3.35Å; L56-M111 HydrophobicContact CD1-CE 4.33Å; L56-L115 HydrophobicContact CB-CD2 3.93Å
57Q98.8Very high98.1Very high67 Ų6787.2 Ų87.231%0.31346%0.455SS..Hα-helixtrans-65-43.5175.2-68.8171.8-1400111.6V53 A54 E55 R59 A60 A61 V114 L115V53-Q57 HydrophobicContact CG1-CG 4.5Å; V53-Q57 WeakPolarHBondContact O-CG 3.48Å; V53-Q57 PolarHBondContact O-N 3.14Å; A54-Q57 PolarHBondContact O-N 3.3Å; E55-Q57 VanDerWaalsContact C-N 3.31Å; E55-Q57 PolarHBondContact O-N 3.44Å; Q57-R59 VanDerWaalsContact C-N 3.32Å; Q57-R59 PolarHBondContact O-N 3.39Å; Q57-A60 PolarHBondContact O-N 3.01Å; Q57-A61 PolarHBondContact O-N 2.93Å; Q57-V114 PolarHBondContact NE2-O 3.4Å; Q57-V114 VanDerWaalsContact NE2-O 3.1Å; Q57-L115 WeakPolarHBondContact CG-O 3.19Å
58L98.7Very high98.2Very high112 Ų11277.2 Ų77.259%0.58642%0.417SS*.Hα-helixtrans-60.1-42174.3-73.6174.2000111.9A54 E55 A61 S62A54-L58 WeakPolarHBondContact O-CG 3.47Å; A54-L58 PolarHBondContact O-N 3.09Å; E55-L58 PolarHBondContact O-N 3.27Å; L58-A61 PolarHBondContact O-N 3.33Å; L58-S62 WeakPolarHBondContact O-CB 3.44Å; L58-S62 PolarHBondContact O-N 3.47Å; L58-S62 PolarHBondContact O-OG 3.19Å
59R98.8Very high98.3Very high105 Ų10577.8 Ų77.840%0.39643%0.429SS..Hα-helixtrans-64.1-43.6175.5-72.6176.8-169.8-174.96.9111.9E55 L56 Q57 A61 S62 S63 H64E55-R59 WeakPolarHBondContact O-CG 3.49Å; E55-R59 PolarHBondContact O-N 3.19Å; E55-R59 IonicContact OE1-CZ 3.37Å; E55-R59 IonicContact OE1-NE 2.76Å; E55-R59 PolarHBondContact OE1-NE 3.09Å; E55-R59 IonicContact OE1-NH2 3.09Å; E55-R59 PolarHBondContact OE1-NH2 3.11Å; L56-R59 PolarHBondContact O-N 3.04Å; Q57-R59 VanDerWaalsContact C-N 3.32Å; Q57-R59 PolarHBondContact O-N 3.39Å; R59-A61 PolarHBondContact O-N 3.41Å; R59-S62 CarbonylContact O-C 3.37Å; R59-S62 PolarHBondContact O-N 2.88Å; R59-S63 PolarHBondContact O-N 3.48Å; R59-H64 HydrophobicContact CB-CB 4.3Å; R59-H64 WeakPolarHBondContact O-CA 3.48Å; R59-H64 WeakPolarHBondContact O-CB 3.48Å; R59-H64 PolarHBondContact O-N 2.89Å
60A98.7Very high98.4Very high6 Ų684.6 Ų84.65%0.0545%0.447CS..Hα-helixtrans-60.1-33.8177.100000112.4L56 Q57 S62 E65 A68 L115L56-A60 WeakPolarHBondContact O-CB 3.25Å; L56-A60 PolarHBondContact O-N 3.35Å; Q57-A60 PolarHBondContact O-N 3.01Å; A60-S62 VanDerWaalsContact C-N 3.33Å; A60-E65 WeakPolarHBondContact O-CA 3.42Å; A60-A68 HydrophobicContact CB-CB 3.83Å; A60-L115 HydrophobicContact CB-CD1 4.03Å; A60-L115 HydrophobicContact CB-CD2 4.08Å; A60-L115 HydrophobicContact CB-CG 4.47Å
61A98.3Very high98.5Very high81 Ų8176.7 Ų76.767%0.66942%0.42SS*.THydrogen-bonded Turntrans-85.72175.400000114.3Q57 L58 R59Q57-A61 PolarHBondContact O-N 2.93Å; L58-A61 PolarHBondContact O-N 3.33Å; R59-A61 PolarHBondContact O-N 3.41Å
62S98.6Very high98.6Very high72 Ų7274.9 Ų74.950%0.50340%0.4SS..THydrogen-bonded Turntrans-142.4-105.1-175.463.80000112.1L58 R59 A60 H64 E65L58-S62 WeakPolarHBondContact O-CB 3.44Å; L58-S62 PolarHBondContact O-N 3.47Å; L58-S62 PolarHBondContact O-OG 3.19Å; R59-S62 CarbonylContact O-C 3.37Å; R59-S62 PolarHBondContact O-N 2.88Å; A60-S62 VanDerWaalsContact C-N 3.33Å; S62-H64 PolarHBondContact O-N 3.29Å; S62-H64 VanDerWaalsContact O-N 3.08Å; S62-E65 VanDerWaalsContact O-CB 3.3Å; S62-E65 WeakPolarHBondContact O-CB 3.4Å; S62-E65 PolarHBondContact O-N 3.21Å; S62-E65 VanDerWaalsContact O-N 3.1Å
63S98.5Very high98.6Very high73 Ų7376.8 Ų76.851%0.5141%0.408SS..THydrogen-bonded Turntrans-57.9-26.9-173.353.20000114.7R59 H66R59-S63 PolarHBondContact O-N 3.48Å; S63-H66 PolarHBondContact O-CE1 3.36Å
64H98.7Very high98.6Very high81 Ų8177.5 Ų77.538%0.37542%0.417SS..THydrogen-bonded Turntrans-11316.7-177.9-63.364.8000112.6R59 S62 H66 I67 A68R59-H64 HydrophobicContact CB-CB 4.3Å; R59-H64 WeakPolarHBondContact O-CA 3.48Å; R59-H64 WeakPolarHBondContact O-CB 3.48Å; R59-H64 PolarHBondContact O-N 2.89Å; S62-H64 PolarHBondContact O-N 3.29Å; S62-H64 VanDerWaalsContact O-N 3.08Å; H64-H66 VanDerWaalsContact C-N 3.29Å; H64-H66 PolarHBondContact O-N 3.35Å; H64-I67 PolarHBondContact O-N 3.43Å; H64-A68 PolarHBondContact O-N 3.19Å
65E98.7Very high98.7Very high129 Ų12974.7 Ų74.760%0.60339%0.394SS*.Hα-helixtrans-52.1-45.7179.7-177.3-177.4-157.200112.7A60 S62 I67 A68 A69A60-E65 WeakPolarHBondContact O-CA 3.42Å; S62-E65 VanDerWaalsContact O-CB 3.3Å; S62-E65 WeakPolarHBondContact O-CB 3.4Å; S62-E65 PolarHBondContact O-N 3.21Å; S62-E65 VanDerWaalsContact O-N 3.1Å; E65-I67 VanDerWaalsContact C-N 3.27Å; E65-I67 PolarHBondContact O-N 2.99Å; E65-A68 PolarHBondContact O-N 2.83Å; E65-A69 WeakPolarHBondContact O-CB 3.5Å; E65-A69 PolarHBondContact O-N 2.98Å
66H98.6Very high98.7Very high128 Ų12876.6 Ų76.659%0.59340%0.402SS*.Hα-helixtrans-60.9-30.217864-74.7000114.1S63 H64S63-H66 PolarHBondContact O-CE1 3.36Å; H64-H66 VanDerWaalsContact C-N 3.29Å; H64-H66 PolarHBondContact O-N 3.35Å
67I98.7Very high98.7Very high84 Ų8477.4 Ų77.443%0.43141%0.409SS..Hα-helixtrans-80.2-43.6175.2-62.2163.7000109.7H64 E65 A69 R70 L71H64-I67 PolarHBondContact O-N 3.43Å; E65-I67 VanDerWaalsContact C-N 3.27Å; E65-I67 PolarHBondContact O-N 2.99Å; I67-A69 PolarHBondContact O-N 3.19Å; I67-R70 PolarHBondContact O-N 2.97Å; I67-R70 VanDerWaalsContact O-N 3.12Å; I67-L71 PolarHBondContact O-N 2.98Å
68A98.7Very high98.7Very high4 Ų474.4 Ų74.43%0.03340%0.395CS..Hα-helixtrans-61.8-33.7176.900000112.2A60 H64 E65 R70 L71 T72A60-A68 HydrophobicContact CB-CB 3.83Å; H64-A68 PolarHBondContact O-N 3.19Å; E65-A68 PolarHBondContact O-N 2.83Å; A68-R70 VanDerWaalsContact C-N 3.33Å; A68-R70 PolarHBondContact O-N 3.43Å; A68-L71 PolarHBondContact O-N 3.08Å; A68-T72 WeakPolarHBondContact O-CB 3.48Å; A68-T72 PolarHBondContact O-N 3.45Å; A68-T72 PolarHBondContact O-OG1 3.39Å
69A98.7Very high98.6Very high51 Ų5170.3 Ų70.342%0.42137%0.373SS..Hα-helixtrans-61-4017400000112E65 I67 T72 E73E65-A69 WeakPolarHBondContact O-CB 3.5Å; E65-A69 PolarHBondContact O-N 2.98Å; I67-A69 PolarHBondContact O-N 3.19Å; A69-T72 WeakPolarHBondContact O-CB 3.38Å; A69-T72 PolarHBondContact O-N 3.47Å; A69-E73 PolarHBondContact O-N 3.15Å
70R98.8Very high98.6Very high191 Ų19168.8 Ų68.872%0.72138%0.379SS*.Hα-helixtrans-66.9-38.6176.2-65.6-170.666.4-154.1-3.5112.7I67 A68 T72 A74I67-R70 PolarHBondContact O-N 2.97Å; I67-R70 VanDerWaalsContact O-N 3.12Å; A68-R70 VanDerWaalsContact C-N 3.33Å; A68-R70 PolarHBondContact O-N 3.43Å; R70-T72 VanDerWaalsContact C-N 3.31Å; R70-A74 WeakPolarHBondContact O-CB 3.49Å; R70-A74 PolarHBondContact O-N 3.24Å; R70-A74 VanDerWaalsContact O-N 3.09Å
71L98.7Very high98.6Very high35 Ų3571 Ų7118%0.18339%0.394CS..Hα-helixtrans-62.8-42.4171.9-72.8171.2000110.9I67 A68 A74 V75 A108 M111 L115I67-L71 PolarHBondContact O-N 2.98Å; A68-L71 PolarHBondContact O-N 3.08Å; L71-A74 PolarHBondContact O-N 3.35Å; L71-V75 WeakPolarHBondContact O-CG2 3.49Å; L71-V75 PolarHBondContact O-N 3.18Å; L71-A108 HydrophobicContact CD2-CB 3.94Å; L71-M111 HydrophobicContact CD1-CB 4.48Å; L71-M111 HydrophobicContact CD1-CG 4.04Å; L71-L115 HydrophobicContact CD1-CD1 4.07Å
72T98.7Very high98.4Very high53 Ų5369.5 Ų69.533%0.32538%0.377SS..Hα-helixtrans-62.7-44.8179.5-56.10000111.5A68 A69 R70 V75 H76 F112A68-T72 WeakPolarHBondContact O-CB 3.48Å; A68-T72 PolarHBondContact O-N 3.45Å; A68-T72 PolarHBondContact O-OG1 3.39Å; A69-T72 WeakPolarHBondContact O-CB 3.38Å; A69-T72 PolarHBondContact O-N 3.47Å; R70-T72 VanDerWaalsContact C-N 3.31Å; T72-V75 PolarHBondContact O-N 3.03Å; T72-H76 VanDerWaalsContact O-CB 3.25Å; T72-H76 WeakPolarHBondContact O-CB 3.43Å; T72-H76 PolarHBondContact O-N 3.42Å; T72-F112 HydrophobicContact CG2-CE2 4.08Å
73E98.8Very high98.2Very high131 Ų13173.4 Ų73.461%0.61239%0.392SS*.Hα-helixtrans-61.4-45.7175.4-176.5-173.8-177.600112A69 V75 H76 T77A69-E73 PolarHBondContact O-N 3.15Å; E73-V75 PolarHBondContact O-N 3.48Å; E73-H76 PolarHBondContact O-N 2.64Å; E73-T77 WeakPolarHBondContact O-CB 3.44Å; E73-T77 PolarHBondContact O-N 2.75Å; E73-T77 PolarHBondContact O-OG1 3.26Å
74A98.7Very high98Very high40 Ų4076.8 Ų76.833%0.33140%0.4SS..Hα-helixtrans-60.9-46.7178.200000111.6R70 L71 T77 M78R70-A74 WeakPolarHBondContact O-CB 3.49Å; R70-A74 PolarHBondContact O-N 3.24Å; R70-A74 VanDerWaalsContact O-N 3.09Å; L71-A74 PolarHBondContact O-N 3.35Å; A74-T77 WeakPolarHBondContact O-CB 3.49Å; A74-T77 PolarHBondContact O-N 2.91Å; A74-M78 WeakPolarHBondContact O-CG 3.26Å; A74-M78 PolarHBondContact O-N 3.45Å
75V98.7Very high98Very high1 Ų175.6 Ų75.61%0.00639%0.392CS..Hα-helixtrans-67.9-39.7177.8173.40000112L71 T72 E73 T77 M78 L79 L109 F112 A122L71-V75 WeakPolarHBondContact O-CG2 3.49Å; L71-V75 PolarHBondContact O-N 3.18Å; T72-V75 PolarHBondContact O-N 3.03Å; E73-V75 PolarHBondContact O-N 3.48Å; V75-T77 VanDerWaalsContact C-N 3.28Å; V75-T77 PolarHBondContact O-N 3.37Å; V75-M78 HydrophobicContact CB-CE 4.36Å; V75-M78 HydrophobicContact CG2-CE 3.78Å; V75-M78 PolarHBondContact O-N 3.25Å; V75-L79 HydrophobicContact CG1-CD1 3.73Å; V75-L79 HydrophobicContact CG1-CG 4.11Å; V75-L79 WeakPolarHBondContact O-CB 3.22Å; V75-L79 WeakPolarHBondContact O-CG 3.3Å; V75-L79 PolarHBondContact O-N 3.04Å; V75-L109 HydrophobicContact CB-CD1 4.44Å; V75-L109 HydrophobicContact CG1-CD1 3.79Å; V75-L109 HydrophobicContact CG2-CD1 3.8Å; V75-F112 HydrophobicContact CB-CB 4.5Å; V75-F112 HydrophobicContact CB-CD1 4.25Å; V75-F112 HydrophobicContact CB-CD2 4.06Å; V75-F112 HydrophobicContact CB-CE2 4.37Å; V75-F112 HydrophobicContact CB-CG 4Å; V75-F112 HydrophobicContact CG1-CD1 3.83Å; V75-F112 HydrophobicContact CG1-CD2 4.46Å; V75-F112 HydrophobicContact CG1-CE1 3.94Å; V75-F112 HydrophobicContact CG1-CG 4.12Å; V75-F112 HydrophobicContact CG1-CZ 4.31Å; V75-F112 HydrophobicContact CG2-CB 3.57Å; V75-F112 HydrophobicContact CG2-CD1 4.11Å; V75-F112 HydrophobicContact CG2-CD2 3.96Å; V75-F112 HydrophobicContact CG2-CG 3.61Å; V75-A122 HydrophobicContact CG1-CB 4.14Å
76H98.7Very high98Very high124 Ų12470.2 Ų70.257%0.57437%0.368SS*.Hα-helixtrans-60.8-39.7175.3-178.664.6000111.9T72 E73 L79 S80T72-H76 VanDerWaalsContact O-CB 3.25Å; T72-H76 WeakPolarHBondContact O-CB 3.43Å; T72-H76 PolarHBondContact O-N 3.42Å; E73-H76 PolarHBondContact O-N 2.64Å; H76-L79 PolarHBondContact O-N 3.02Å; H76-S80 WeakPolarHBondContact O-CB 3.38Å; H76-S80 PolarHBondContact O-N 2.95Å; H76-S80 PolarHBondContact O-OG 3.22Å
77T98.8Very high98Very high58 Ų5864.1 Ų64.136%0.35634%0.339SS..Hα-helixtrans-61.7-46.7174.4-55.40000110.9E73 A74 V75 L79 S80 S81 Y85E73-T77 WeakPolarHBondContact O-CB 3.44Å; E73-T77 PolarHBondContact O-N 2.75Å; E73-T77 PolarHBondContact O-OG1 3.26Å; A74-T77 WeakPolarHBondContact O-CB 3.49Å; A74-T77 PolarHBondContact O-N 2.91Å; V75-T77 VanDerWaalsContact C-N 3.28Å; V75-T77 PolarHBondContact O-N 3.37Å; T77-L79 PolarHBondContact O-N 3.34Å; T77-S80 PolarHBondContact O-N 3.13Å; T77-S81 PolarHBondContact O-N 3.3Å; T77-Y85 HydrophobicContact CG2-CE2 4.07Å; T77-Y85 VanDerWaalsContact CG2-OH 3.28Å; T77-Y85 WeakPolarHBondContact CG2-OH 3.38Å
78M98.6Very high97.9Very high4 Ų461.8 Ų61.82%0.0233%0.33CS..Hα-helixtrans-61.6-42.7177-71.2-169.8-72.200112.6A74 V75 S80 S81 P82 Y85 N105 L109 M125A74-M78 WeakPolarHBondContact O-CG 3.26Å; A74-M78 PolarHBondContact O-N 3.45Å; V75-M78 HydrophobicContact CB-CE 4.36Å; V75-M78 HydrophobicContact CG2-CE 3.78Å; V75-M78 PolarHBondContact O-N 3.25Å; M78-S80 VanDerWaalsContact C-N 3.33Å; M78-S80 PolarHBondContact O-N 2.84Å; M78-S81 CarbonylContact O-C 3.22Å; M78-S81 PolarHBondContact O-N 3.38Å; M78-P82 VanDerWaalsContact O-CA 3.25Å; M78-P82 WeakPolarHBondContact O-CA 3.28Å; M78-P82 VanDerWaalsContact O-N 3.12Å; M78-Y85 HydrophobicContact CB-CD2 4.32Å; M78-Y85 HydrophobicContact CB-CG 4.19Å; M78-Y85 HydrophobicContact CG-CD1 3.71Å; M78-Y85 HydrophobicContact CG-CD2 4.12Å; M78-Y85 HydrophobicContact CG-CE1 4.19Å; M78-Y85 HydrophobicContact CG-CG 3.66Å; M78-Y85 HydrophobicContact SD-CD1 4.43Å; M78-N105 HydrophobicContact SD-CB 3.97Å; M78-L109 HydrophobicContact CE-CB 3.92Å; M78-L109 HydrophobicContact CE-CD1 4.36Å; M78-M125 HydrophobicContact CB-CE 3.84Å; M78-M125 HydrophobicContact CB-SD 4.17Å
79L98.4Very high97.9Very high25 Ų2567.7 Ų67.713%0.13135%0.351CS..Hα-helixtrans-69.7-29178.2-71.3172.7000113.1V75 H76 T77 S81 P82 E121 A122 M125V75-L79 HydrophobicContact CG1-CD1 3.73Å; V75-L79 HydrophobicContact CG1-CG 4.11Å; V75-L79 WeakPolarHBondContact O-CB 3.22Å; V75-L79 WeakPolarHBondContact O-CG 3.3Å; V75-L79 PolarHBondContact O-N 3.04Å; H76-L79 PolarHBondContact O-N 3.02Å; T77-L79 PolarHBondContact O-N 3.34Å; L79-S81 VanDerWaalsContact C-N 3.29Å; L79-P82 VanDerWaalsContact O-CD 3.26Å; L79-P82 WeakPolarHBondContact O-CD 3.33Å; L79-P82 VanDerWaalsContact O-CG 3.24Å; L79-P82 WeakPolarHBondContact O-CG 3.26Å; L79-E121 HydrophobicContact CD2-CG 4.01Å; L79-A122 HydrophobicContact CD1-CB 4.23Å; L79-M125 HydrophobicContact CD2-CB 4.07Å; L79-M125 HydrophobicContact CD2-CG 4.44Å; L79-M125 HydrophobicContact CD2-SD 3.6Å; L79-M125 VanDerWaalsContact CD2-SD 3.6Å; L79-M125 HydrophobicContact CG-SD 4.2Å
80S98.4Very high97.9Very high74 Ų7468.8 Ų68.852%0.51735%0.35SS..Hα-helixtrans-72.2-26.3176.7-60.30000112.3H76 T77 M78H76-S80 WeakPolarHBondContact O-CB 3.38Å; H76-S80 PolarHBondContact O-N 2.95Å; H76-S80 PolarHBondContact O-OG 3.22Å; T77-S80 PolarHBondContact O-N 3.13Å; M78-S80 VanDerWaalsContact C-N 3.33Å; M78-S80 PolarHBondContact O-N 2.84Å
81S97.1Very high97.8Very high52 Ų5262.1 Ų62.136%0.36433%0.331SS..SBendtrans-135.361178.1-61.80000112.8T77 M78 L79 L83 E84 Y85T77-S81 PolarHBondContact O-N 3.3Å; M78-S81 CarbonylContact O-C 3.22Å; M78-S81 PolarHBondContact O-N 3.38Å; L79-S81 VanDerWaalsContact C-N 3.29Å; S81-L83 VanDerWaalsContact C-N 3.29Å; S81-L83 PolarHBondContact O-N 3.07Å; S81-L83 VanDerWaalsContact O-N 3.13Å; S81-E84 WeakPolarHBondContact O-CB 3.25Å; S81-E84 PolarHBondContact O-N 2.84Å; S81-Y85 WeakPolarHBondContact O-CD2 3.3Å
82P96.1Very high97.7Very high49 Ų4968.1 Ų68.132%0.31836%0.356SS..Hα-helixtrans-59.8-36.7-168.5-24.334.9000113.7M78 L79 E84 Y85 L86 M125M78-P82 VanDerWaalsContact O-CA 3.25Å; M78-P82 WeakPolarHBondContact O-CA 3.28Å; M78-P82 VanDerWaalsContact O-N 3.12Å; L79-P82 VanDerWaalsContact O-CD 3.26Å; L79-P82 WeakPolarHBondContact O-CD 3.33Å; L79-P82 VanDerWaalsContact O-CG 3.24Å; L79-P82 WeakPolarHBondContact O-CG 3.26Å; P82-E84 PolarHBondContact O-N 3.23Å; P82-Y85 PolarHBondContact O-N 3.37Å; P82-L86 HydrophobicContact CB-CD1 4.09Å; P82-L86 VanDerWaalsContact O-CB 3.26Å; P82-L86 WeakPolarHBondContact O-CB 3.29Å; P82-L86 WeakPolarHBondContact O-CD1 3.29Å; P82-L86 VanDerWaalsContact O-CG 3.22Å; P82-L86 WeakPolarHBondContact O-CG 3.31Å; P82-L86 PolarHBondContact O-N 3.12Å; P82-M125 HydrophobicContact CB-CE 4.19Å
83L92.6Very high97.6Very high154 Ų15470.6 Ų70.681%0.80637%0.367SS*.Hα-helixtrans-69.1-19.2-179.4-61.7179.7000113.8S81S81-L83 VanDerWaalsContact C-N 3.29Å; S81-L83 PolarHBondContact O-N 3.07Å; S81-L83 VanDerWaalsContact O-N 3.13Å
84E95.1Very high97.6Very high145 Ų14564.7 Ų64.768%0.67834%0.339SS*.Hα-helixtrans-81.1-32.8174.5-175.4176.117500111.6S81 P82S81-E84 WeakPolarHBondContact O-CB 3.25Å; S81-E84 PolarHBondContact O-N 2.84Å; P82-E84 PolarHBondContact O-N 3.23Å
85Y98.2Very high97.5Very high56 Ų5663.7 Ų63.722%0.2233%0.33CS..Hα-helixtrans-101.1-23.4-173-72.2-82.6000114.6T77 M78 S81 P82 Y129T77-Y85 HydrophobicContact CG2-CE2 4.07Å; T77-Y85 VanDerWaalsContact CG2-OH 3.28Å; T77-Y85 WeakPolarHBondContact CG2-OH 3.38Å; M78-Y85 HydrophobicContact CB-CD2 4.32Å; M78-Y85 HydrophobicContact CB-CG 4.19Å; M78-Y85 HydrophobicContact CG-CD1 3.71Å; M78-Y85 HydrophobicContact CG-CD2 4.12Å; M78-Y85 HydrophobicContact CG-CE1 4.19Å; M78-Y85 HydrophobicContact CG-CG 3.66Å; M78-Y85 HydrophobicContact SD-CD1 4.43Å; S81-Y85 WeakPolarHBondContact O-CD2 3.3Å; P82-Y85 PolarHBondContact O-N 3.37Å; Y85-Y129 VanDerWaalsContact O-CE2 3.3Å; Y85-Y129 WeakPolarHBondContact O-CE2 3.46Å; Y85-Y129 PolarHBondContact O-OH 3.5Å; Y85-Y129 VanDerWaalsContact O-OH 3.07Å
86L98.5Very high97.3Very high15 Ų1566.5 Ų66.58%0.07935%0.354CS..SBendtrans-70.1138.2176.6-78.2166.3000110.4P82 M125 D128 Y129P82-L86 HydrophobicContact CB-CD1 4.09Å; P82-L86 VanDerWaalsContact O-CB 3.26Å; P82-L86 WeakPolarHBondContact O-CB 3.29Å; P82-L86 WeakPolarHBondContact O-CD1 3.29Å; P82-L86 VanDerWaalsContact O-CG 3.22Å; P82-L86 WeakPolarHBondContact O-CG 3.31Å; P82-L86 PolarHBondContact O-N 3.12Å; L86-M125 HydrophobicContact CD2-CE 4.29Å; L86-M125 HydrophobicContact CD2-CG 4.25Å; L86-M125 HydrophobicContact CG-CE 4.07Å; L86-D128 WeakPolarHBondContact CD1-OD2 3.44Å; L86-D128 HydrophobicContact CD2-CB 4.41Å; L86-Y129 HydrophobicContact CD2-CD2 3.92Å; L86-Y129 HydrophobicContact CD2-CG 4.21Å
87P98.4Very high97.1Very high0 Ų070.3 Ų70.30%036%0.363CS..PPolyproline II helixtrans-61.4143.2175.8-20.331.7000111.6Y94 F102 Y129 R132 M133P87-Y94 HydrophobicContact CB-CD2 3.79Å; P87-Y94 HydrophobicContact CB-CE2 3.65Å; P87-Y94 HydrophobicContact CG-CE2 4.48Å; P87-F102 HydrophobicContact CB-CD1 4.02Å; P87-F102 HydrophobicContact CB-CD2 4.21Å; P87-F102 HydrophobicContact CB-CE1 4.17Å; P87-F102 HydrophobicContact CB-CE2 4.34Å; P87-F102 HydrophobicContact CB-CG 4.07Å; P87-F102 HydrophobicContact CB-CZ 4.34Å; P87-F102 HydrophobicContact CG-CB 4.16Å; P87-F102 HydrophobicContact CG-CD1 3.8Å; P87-F102 HydrophobicContact CG-CE1 4.35Å; P87-F102 HydrophobicContact CG-CG 3.92Å; P87-Y129 VanDerWaalsContact CD-CE1 3.48Å; P87-Y129 HydrophobicContact CG-CD1 3.59Å; P87-Y129 HydrophobicContact CG-CE1 3.27Å; P87-Y129 HydrophobicContact CG-CG 4.36Å; P87-R132 HydrophobicContact CB-CB 4.08Å; P87-R132 HydrophobicContact CG-CB 4.4Å; P87-R132 VanDerWaalsContact O-CD 3.23Å; P87-R132 WeakPolarHBondContact O-CD 3.41Å; P87-R132 PolarHBondContact O-NH1 3.2Å; P87-M133 HydrophobicContact CB-CG 4.34Å; P87-M133 HydrophobicContact CG-CG 3.78Å; P87-M133 HydrophobicContact CG-SD 4.48Å
88P98.2Very high97Very high36 Ų3676.1 Ų76.123%0.23438%0.378CS..PPolyproline II helixtrans-61.2144.2174.5-22.533000111.4D93 F102 Q136P88-D93 HydrophobicContact CB-CB 3.65Å; P88-D93 HydrophobicContact CG-CB 3.87Å; P88-F102 VanDerWaalsContact CD-CZ 3.48Å; P88-F102 HydrophobicContact CG-CZ 4.47Å; P88-Q136 PolarHBondContact O-NE2 3.34Å
89W98.2Very high96.8Very high128 Ų12877 Ų7749%0.48538%0.383SS..SBendtrans-70.7-36.6168.5-76.3109.3000111.7P91 E131 R132 A135W89-P91 VanDerWaalsContact O-CD 3.28Å; W89-P91 WeakPolarHBondContact O-CD 3.31Å; W89-E131 HydrophobicContact CH2-CB 4Å; W89-R132 VanDerWaalsContact CD1-NH1 3.3Å; W89-R132 HydrophobicContact CD2-CG 3.76Å; W89-R132 VanDerWaalsContact CE2-CG 3.42Å; W89-R132 HydrophobicContact CE3-CG 4.12Å; W89-R132 HydrophobicContact CG-CG 4.35Å; W89-R132 HydrophobicContact CH2-CG 3.91Å; W89-R132 HydrophobicContact CZ2-CG 3.51Å; W89-R132 HydrophobicContact CZ3-CG 4.19Å; W89-A135 HydrophobicContact CE3-CB 4.03Å; W89-A135 HydrophobicContact CZ3-CB 3.65Å
90D97.9Very high96.8Very high73 Ų7380.7 Ų80.739%0.3940%0.4SS..SBendtrans-70.8119.1179.8-169.1-26.8000110.1K92 D93 Y94D90-K92 PolarHBondContact O-N 3.07Å; D90-K92 VanDerWaalsContact O-N 3.15Å; D90-K92 VanDerWaalsContact OD1-CB 3.31Å; D90-K92 WeakPolarHBondContact OD1-CB 3.48Å; D90-K92 PolarHBondContact OD1-N 2.99Å; D90-D93 HydrophobicContact CB-CB 4.43Å; D90-D93 PolarHBondContact O-N 3.28Å; D90-Y94 PolarHBondContact O-N 3.44Å
91P97.2Very high96.8Very high51 Ų5181.1 Ų81.133%0.33140%0.396SS..Hα-helixtrans-58.8-26.8177.9-25.736.3000114.2W89 D93 S95 Q136 P137W89-P91 VanDerWaalsContact O-CD 3.28Å; W89-P91 WeakPolarHBondContact O-CD 3.31Å; P91-D93 VanDerWaalsContact C-N 3.33Å; P91-S95 WeakPolarHBondContact O-CB 3.4Å; P91-S95 PolarHBondContact O-N 3.31Å; P91-S95 VanDerWaalsContact O-N 3.07Å; P91-S95 PolarHBondContact O-OG 3.45Å; P91-Q136 VanDerWaalsContact CA-OE1 3.3Å; P91-P137 HydrophobicContact CB-CG 3.86Å; P91-P137 HydrophobicContact CG-CG 3.89Å
92K96.6Very high96.8Very high161 Ų16180 Ų8070%0.738%0.384SS*.Hα-helixtrans-64.8-40.3175.8-66.5175.4-177.7169.60111D90 A96D90-K92 PolarHBondContact O-N 3.07Å; D90-K92 VanDerWaalsContact O-N 3.15Å; D90-K92 VanDerWaalsContact OD1-CB 3.31Å; D90-K92 WeakPolarHBondContact OD1-CB 3.48Å; D90-K92 PolarHBondContact OD1-N 2.99Å; K92-A96 WeakPolarHBondContact O-CB 3.42Å; K92-A96 PolarHBondContact O-N 3.4Å
93D97.1Very high96.9Very high105 Ų10579.5 Ų79.556%0.56139%0.388SS*.Hα-helixtrans-78.2-39.5178.4-68.3-21.9000111.2P88 D90 P91 S95 A96P88-D93 HydrophobicContact CB-CB 3.65Å; P88-D93 HydrophobicContact CG-CB 3.87Å; D90-D93 HydrophobicContact CB-CB 4.43Å; D90-D93 PolarHBondContact O-N 3.28Å; P91-D93 VanDerWaalsContact C-N 3.33Å; D93-S95 VanDerWaalsContact C-N 3.31Å; D93-S95 PolarHBondContact O-N 3.47Å; D93-A96 PolarHBondContact O-N 2.9Å
94Y97.6Very high97.1Very high7 Ų776.7 Ų76.73%0.02737%0.374CS..Hα-helixtrans-59.3-40.1178.2-175-82.7000112.7P87 D90 N99 F102 M133 Q136P87-Y94 HydrophobicContact CB-CD2 3.79Å; P87-Y94 HydrophobicContact CB-CE2 3.65Å; P87-Y94 HydrophobicContact CG-CE2 4.48Å; D90-Y94 PolarHBondContact O-N 3.44Å; Y94-N99 WeakPolarHBondContact CE1-ND2 3.18Å; Y94-N99 PolarHBondContact O-ND2 3.46Å; Y94-F102 AromaticContact CD2-CD2 3.96Å; Y94-F102 HydrophobicContact CD2-CD2 3.96Å; Y94-F102 AromaticContact CD2-CE2 3.85Å; Y94-F102 HydrophobicContact CD2-CE2 3.85Å; Y94-F102 HydrophobicContact CE1-CD2 4.48Å; Y94-F102 AromaticContact CE2-CD2 3.52Å; Y94-F102 HydrophobicContact CE2-CD2 3.52Å; Y94-F102 AromaticContact CE2-CE2 3.92Å; Y94-F102 HydrophobicContact CE2-CE2 3.92Å; Y94-F102 HydrophobicContact CE2-CG 4.32Å; Y94-F102 HydrophobicContact CG-CE2 4.3Å; Y94-F102 AromaticContact CZ-CD2 3.8Å; Y94-M133 HydrophobicContact CE2-CG 4.23Å; Y94-Q136 VanDerWaalsContact CB-OE1 3.31Å; Y94-Q136 HydrophobicContact CD1-CB 4.47Å; Y94-Q136 HydrophobicContact CD1-CG 3.8Å; Y94-Q136 HydrophobicContact CD2-CG 3.61Å; Y94-Q136 HydrophobicContact CE1-CB 4.45Å; Y94-Q136 HydrophobicContact CE1-CG 3.88Å; Y94-Q136 HydrophobicContact CE2-CG 3.65Å; Y94-Q136 VanDerWaalsContact CG-CD 3.43Å; Y94-Q136 HydrophobicContact CG-CG 3.69Å
95S96.3Very high97.3Very high20 Ų2071.9 Ų71.914%0.1435%0.353CS..THydrogen-bonded Turntrans-98.6-2-176.764.50000114.2P91 D93 R97 L140 K142P91-S95 WeakPolarHBondContact O-CB 3.4Å; P91-S95 PolarHBondContact O-N 3.31Å; P91-S95 VanDerWaalsContact O-N 3.07Å; P91-S95 PolarHBondContact O-OG 3.45Å; D93-S95 VanDerWaalsContact C-N 3.31Å; D93-S95 PolarHBondContact O-N 3.47Å; S95-R97 PolarHBondContact O-N 2.92Å; S95-L140 WeakPolarHBondContact CB-O 3.45Å; S95-K142 WeakPolarHBondContact O-CB 3.23Å; S95-K142 PolarHBondContact O-N 3.04Å
96A95.8Very high97.3Very high60 Ų6070.6 Ų70.650%0.49635%0.35SS..SBendtrans-66.7-19.3-174.800000114.6K92 D93K92-A96 WeakPolarHBondContact O-CB 3.42Å; K92-A96 PolarHBondContact O-N 3.4Å; D93-A96 PolarHBondContact O-N 2.9Å
97R94.3Very high97.3Very high204 Ų20472 Ų7277%0.7737%0.367SS*.SBendtrans-142164.7-175.6-61.6-176.2-177.5-177.11.6109.7S95 N99 V141S95-R97 PolarHBondContact O-N 2.92Å; R97-N99 WeakPolarHBondContact O-CB 3.23Å; R97-N99 PolarHBondContact O-N 3.18Å; R97-N99 VanDerWaalsContact O-N 3.08Å; R97-V141 WeakPolarHBondContact O-CG1 3.44Å
98W95.6Very high97.3Very high179 Ų17973.2 Ų73.268%0.67838%0.378SS*.  trans-55.8115.3169.2-168-101.1000110.2E100 V141 A144W98-E100 VanDerWaalsContact CD1-OE1 3.29Å; W98-E100 PolarHBondContact NE1-OE1 2.76Å; W98-V141 HydrophobicContact CE3-CG2 4.17Å; W98-A144 HydrophobicContact CZ3-CB 4.44Å
99N95.9Very high97.4Very high22 Ų2271.5 Ų71.512%0.11837%0.367CS..  trans-117.519.7-160.363.39.1000113.7Y94 R97 I101 F102 V141Y94-N99 WeakPolarHBondContact CE1-ND2 3.18Å; Y94-N99 PolarHBondContact O-ND2 3.46Å; R97-N99 WeakPolarHBondContact O-CB 3.23Å; R97-N99 PolarHBondContact O-N 3.18Å; R97-N99 VanDerWaalsContact O-N 3.08Å; N99-I101 PolarHBondContact O-N 3.21Å; N99-F102 HydrophobicContact CB-CD2 3.74Å; N99-F102 HydrophobicContact CB-CE2 3.74Å; N99-F102 PolarHBondContact O-N 3.14Å; N99-V141 WeakPolarHBondContact OD1-CG2 3.5Å
100E97.4Very high97.4Very high104 Ų10467.6 Ų67.649%0.48636%0.361SS..Hα-helixtrans-55-27.7177.569.9173.3118.800113.1W98 F102 G103 N104W98-E100 VanDerWaalsContact CD1-OE1 3.29Å; W98-E100 PolarHBondContact NE1-OE1 2.76Å; E100-F102 PolarHBondContact O-N 2.85Å; E100-F102 VanDerWaalsContact O-N 3.08Å; E100-G103 PolarHBondContact O-N 3.36Å; E100-G103 VanDerWaalsContact O-N 3.09Å; E100-N104 WeakPolarHBondContact O-CB 3.23Å; E100-N104 PolarHBondContact O-N 2.81Å; E100-N104 PolarHBondContact O-OD1 3.27Å; E100-N104 PolarHBondContact OE2-ND2 3.49Å
101I97.8Very high97.4Very high83 Ų8366.6 Ų66.643%0.42636%0.355SS..Hα-helixtrans-53.1-32.5178.5-169.7168.7000111.8N99 N105N99-I101 PolarHBondContact O-N 3.21Å; I101-N105 WeakPolarHBondContact CG1-ND2 3.26Å; I101-N105 VanDerWaalsContact O-CB 3.31Å; I101-N105 WeakPolarHBondContact O-CB 3.11Å; I101-N105 PolarHBondContact O-N 3.21Å
102F98.1Very high97.5Very high27 Ų2764.7 Ų64.712%0.11834%0.341CS..Hα-helixtrans-67.1-46.1180-58.4-39.2000112.4P87 P88 Y94 N99 E100 L106 Y129 M133P87-F102 HydrophobicContact CB-CD1 4.02Å; P87-F102 HydrophobicContact CB-CD2 4.21Å; P87-F102 HydrophobicContact CB-CE1 4.17Å; P87-F102 HydrophobicContact CB-CE2 4.34Å; P87-F102 HydrophobicContact CB-CG 4.07Å; P87-F102 HydrophobicContact CB-CZ 4.34Å; P87-F102 HydrophobicContact CG-CB 4.16Å; P87-F102 HydrophobicContact CG-CD1 3.8Å; P87-F102 HydrophobicContact CG-CE1 4.35Å; P87-F102 HydrophobicContact CG-CG 3.92Å; P88-F102 VanDerWaalsContact CD-CZ 3.48Å; P88-F102 HydrophobicContact CG-CZ 4.47Å; Y94-F102 AromaticContact CD2-CD2 3.96Å; Y94-F102 HydrophobicContact CD2-CD2 3.96Å; Y94-F102 AromaticContact CD2-CE2 3.85Å; Y94-F102 HydrophobicContact CD2-CE2 3.85Å; Y94-F102 HydrophobicContact CE1-CD2 4.48Å; Y94-F102 AromaticContact CE2-CD2 3.52Å; Y94-F102 HydrophobicContact CE2-CD2 3.52Å; Y94-F102 AromaticContact CE2-CE2 3.92Å; Y94-F102 HydrophobicContact CE2-CE2 3.92Å; Y94-F102 HydrophobicContact CE2-CG 4.32Å; Y94-F102 HydrophobicContact CG-CE2 4.3Å; Y94-F102 AromaticContact CZ-CD2 3.8Å; N99-F102 HydrophobicContact CB-CD2 3.74Å; N99-F102 HydrophobicContact CB-CE2 3.74Å; N99-F102 PolarHBondContact O-N 3.14Å; E100-F102 PolarHBondContact O-N 2.85Å; E100-F102 VanDerWaalsContact O-N 3.08Å; F102-L106 VanDerWaalsContact O-CB 3.29Å; F102-L106 WeakPolarHBondContact O-CB 3.27Å; F102-L106 PolarHBondContact O-N 2.77Å; F102-Y129 VanDerWaalsContact CA-OH 3.29Å; F102-Y129 WeakPolarHBondContact CA-OH 3.4Å; F102-Y129 HydrophobicContact CB-CE1 4.18Å; F102-Y129 VanDerWaalsContact O-CE1 3.28Å; F102-Y129 WeakPolarHBondContact O-CE1 3.28Å; F102-Y129 PolarHBondContact O-OH 3.15Å; F102-M133 HydrophobicContact CB-CE 4.24Å; F102-M133 HydrophobicContact CB-SD 4.3Å
103G97.5Very high97.6Very high39 Ų3958.1 Ų58.140%0.40232%0.315SS..Hα-helixtrans-69.8-43.5175.100000112.4E100 N105 L106 G107E100-G103 PolarHBondContact O-N 3.36Å; E100-G103 VanDerWaalsContact O-N 3.09Å; G103-N105 PolarHBondContact O-N 3.35Å; G103-L106 PolarHBondContact O-N 3.37Å; G103-G107 PolarHBondContact O-N 3.42Å
104N98.3Very high97.7Very high96 Ų9654.9 Ų54.951%0.51330%0.299SS..Hα-helixtrans-61.9-45.9-176-67-9.8000111.7E100E100-N104 WeakPolarHBondContact O-CB 3.23Å; E100-N104 PolarHBondContact O-N 2.81Å; E100-N104 PolarHBondContact O-OD1 3.27Å; E100-N104 PolarHBondContact OE2-ND2 3.49Å
105N98.5Very high97.7Very high43 Ų4355.3 Ų55.323%0.2330%0.302CS..Hα-helixtrans-75.8-32.2-178.8-71.9-5.3000112.7M78 I101 G103 G107 A108 L109M78-N105 HydrophobicContact SD-CB 3.97Å; I101-N105 WeakPolarHBondContact CG1-ND2 3.26Å; I101-N105 VanDerWaalsContact O-CB 3.31Å; I101-N105 WeakPolarHBondContact O-CB 3.11Å; I101-N105 PolarHBondContact O-N 3.21Å; G103-N105 PolarHBondContact O-N 3.35Å; N105-G107 VanDerWaalsContact C-N 3.26Å; N105-G107 PolarHBondContact O-N 3.09Å; N105-A108 PolarHBondContact O-N 2.99Å; N105-L109 PolarHBondContact O-N 3.47Å
106L98.7Very high97.9Very high30 Ų3057.4 Ų57.416%0.15731%0.308CS..Hα-helixtrans-60.2-37.5176.1179.260.3000111.7F102 G103 A108 L109 A110 Y129 M130 M133F102-L106 VanDerWaalsContact O-CB 3.29Å; F102-L106 WeakPolarHBondContact O-CB 3.27Å; F102-L106 PolarHBondContact O-N 2.77Å; G103-L106 PolarHBondContact O-N 3.37Å; L106-A108 PolarHBondContact O-N 2.88Å; L106-L109 PolarHBondContact O-N 3.11Å; L106-A110 VanDerWaalsContact O-CB 3.25Å; L106-A110 WeakPolarHBondContact O-CB 3.47Å; L106-A110 PolarHBondContact O-N 3.18Å; L106-Y129 HydrophobicContact CB-CD1 4.2Å; L106-Y129 HydrophobicContact CB-CE1 4.09Å; L106-Y129 HydrophobicContact CD1-CD1 4.05Å; L106-Y129 HydrophobicContact CD1-CG 4.11Å; L106-Y129 HydrophobicContact CD2-CD1 4.42Å; L106-Y129 HydrophobicContact CG-CD1 4.45Å; L106-M130 HydrophobicContact CD1-CG 3.95Å; L106-M130 HydrophobicContact CD2-CG 3.95Å; L106-M133 HydrophobicContact CD2-SD 3.77Å
107G98.4Very high98Very high44 Ų4457.3 Ų57.345%0.45430%0.302SS..Hα-helixtrans-59.9-44.617500000112.9G103 N105 M111G103-G107 PolarHBondContact O-N 3.42Å; N105-G107 VanDerWaalsContact C-N 3.26Å; N105-G107 PolarHBondContact O-N 3.09Å; G107-M111 WeakPolarHBondContact O-CB 3.32Å; G107-M111 PolarHBondContact O-N 3.28Å
108A98.6Very high98.2Very high26 Ų2653.9 Ų53.922%0.21530%0.295CS..Hα-helixtrans-65.1-44.5176.500000111.9L71 N105 L106 M111 F112L71-A108 HydrophobicContact CD2-CB 3.94Å; N105-A108 PolarHBondContact O-N 2.99Å; L106-A108 PolarHBondContact O-N 2.88Å; A108-M111 PolarHBondContact O-N 3.08Å; A108-F112 WeakPolarHBondContact O-CB 3.44Å; A108-F112 PolarHBondContact O-N 3.06Å
109L98.8Very high98.3Very high0 Ų047.8 Ų47.80%028%0.275CS..Hα-helixtrans-63.2-42.8177.4-179.358.7000112.2V75 M78 N105 L106 F112 C113 A122 M125 A126 Y129V75-L109 HydrophobicContact CB-CD1 4.44Å; V75-L109 HydrophobicContact CG1-CD1 3.79Å; V75-L109 HydrophobicContact CG2-CD1 3.8Å; M78-L109 HydrophobicContact CE-CB 3.92Å; M78-L109 HydrophobicContact CE-CD1 4.36Å; N105-L109 PolarHBondContact O-N 3.47Å; L106-L109 PolarHBondContact O-N 3.11Å; L109-F112 WeakPolarHBondContact O-CB 3.42Å; L109-F112 PolarHBondContact O-N 3.31Å; L109-C113 PolarHBondContact O-N 3Å; L109-C113 PolarHBondContact O-SG 3.12Å; L109-A122 HydrophobicContact CD1-CB 4.44Å; L109-M125 HydrophobicContact CD2-CG 4.2Å; L109-M125 HydrophobicContact CD2-SD 4.4Å; L109-A126 HydrophobicContact CD2-CB 3.89Å; L109-A126 HydrophobicContact CG-CB 3.95Å; L109-Y129 HydrophobicContact CD2-CD2 4.09Å
110A98.8Very high98.4Very high45 Ų4550.5 Ų50.537%0.37229%0.289SS..Hα-helixtrans-64.5-44.2177.900000111.5L106 F112 C113 V114L106-A110 VanDerWaalsContact O-CB 3.25Å; L106-A110 WeakPolarHBondContact O-CB 3.47Å; L106-A110 PolarHBondContact O-N 3.18Å; A110-F112 VanDerWaalsContact C-N 3.33Å; A110-F112 PolarHBondContact O-N 3.08Å; A110-C113 PolarHBondContact O-N 3.08Å; A110-V114 WeakPolarHBondContact O-CG2 3.43Å; A110-V114 PolarHBondContact O-N 2.92Å; A110-V114 VanDerWaalsContact O-N 3.08Å
111M98.8Very high98.5Very high53 Ų5351.6 Ų51.626%0.26129%0.294SS..Hα-helixtrans-62.8-41176.1-169.565.6-124.800111.5F48 L56 L71 G107 A108 C113 V114 L115F48-M111 HydrophobicContact CE1-CE 4.39Å; F48-M111 HydrophobicContact CE1-SD 4.1Å; F48-M111 HydrophobicContact CZ-CE 4.31Å; F48-M111 HydrophobicContact CZ-SD 4.3Å; L56-M111 HydrophobicContact CD1-CE 4.33Å; L71-M111 HydrophobicContact CD1-CB 4.48Å; L71-M111 HydrophobicContact CD1-CG 4.04Å; G107-M111 WeakPolarHBondContact O-CB 3.32Å; G107-M111 PolarHBondContact O-N 3.28Å; A108-M111 PolarHBondContact O-N 3.08Å; M111-C113 VanDerWaalsContact C-N 3.34Å; M111-C113 PolarHBondContact O-N 3.45Å; M111-V114 HydrophobicContact CE-CB 4.01Å; M111-V114 HydrophobicContact CE-CG1 3.87Å; M111-V114 WeakPolarHBondContact O-CB 3.41Å; M111-V114 PolarHBondContact O-N 3.38Å; M111-L115 HydrophobicContact CE-CD1 4.18Å; M111-L115 HydrophobicContact CE-CD2 3.67Å; M111-L115 HydrophobicContact CE-CG 3.67Å; M111-L115 WeakPolarHBondContact O-CG 3.38Å; M111-L115 PolarHBondContact O-N 3.23Å; M111-L115 VanDerWaalsContact O-N 3.14Å
112F98.9Very high98.5Very high10 Ų1047.6 Ų47.64%0.04427%0.274CS..Hα-helixtrans-57.9-45.4172.9179.4-85.4000111.8T72 V75 A108 L109 A110 V114 L115 Y116 N119 A122T72-F112 HydrophobicContact CG2-CE2 4.08Å; V75-F112 HydrophobicContact CB-CB 4.5Å; V75-F112 HydrophobicContact CB-CD1 4.25Å; V75-F112 HydrophobicContact CB-CD2 4.06Å; V75-F112 HydrophobicContact CB-CE2 4.37Å; V75-F112 HydrophobicContact CB-CG 4Å; V75-F112 HydrophobicContact CG1-CD1 3.83Å; V75-F112 HydrophobicContact CG1-CD2 4.46Å; V75-F112 HydrophobicContact CG1-CE1 3.94Å; V75-F112 HydrophobicContact CG1-CG 4.12Å; V75-F112 HydrophobicContact CG1-CZ 4.31Å; V75-F112 HydrophobicContact CG2-CB 3.57Å; V75-F112 HydrophobicContact CG2-CD1 4.11Å; V75-F112 HydrophobicContact CG2-CD2 3.96Å; V75-F112 HydrophobicContact CG2-CG 3.61Å; A108-F112 WeakPolarHBondContact O-CB 3.44Å; A108-F112 PolarHBondContact O-N 3.06Å; L109-F112 WeakPolarHBondContact O-CB 3.42Å; L109-F112 PolarHBondContact O-N 3.31Å; A110-F112 VanDerWaalsContact C-N 3.33Å; A110-F112 PolarHBondContact O-N 3.08Å; F112-V114 PolarHBondContact O-N 3.09Å; F112-L115 PolarHBondContact O-N 3.2Å; F112-L115 VanDerWaalsContact O-N 3.11Å; F112-Y116 HydrophobicContact CD1-CD2 4.26Å; F112-Y116 AromaticContact CD2-CD2 3.53Å; F112-Y116 HydrophobicContact CD2-CD2 3.53Å; F112-Y116 AromaticContact CD2-CE2 3.81Å; F112-Y116 HydrophobicContact CD2-CE2 3.81Å; F112-Y116 HydrophobicContact CE1-CD2 4.09Å; F112-Y116 AromaticContact CE2-CD2 3.31Å; F112-Y116 HydrophobicContact CE2-CD2 3.31Å; F112-Y116 AromaticContact CE2-CE2 3.62Å; F112-Y116 HydrophobicContact CE2-CE2 3.62Å; F112-Y116 HydrophobicContact CE2-CG 4.25Å; F112-Y116 AromaticContact CG-CD2 3.99Å; F112-Y116 HydrophobicContact CG-CD2 3.99Å; F112-Y116 AromaticContact CZ-CD2 3.62Å; F112-Y116 HydrophobicContact CZ-CD2 3.62Å; F112-Y116 HydrophobicContact CZ-CE2 4.33Å; F112-Y116 HydrophobicContact CZ-CG 4.15Å; F112-Y116 PolarHBondContact O-N 2.81Å; F112-N119 HydrophobicContact CE1-CB 4.18Å; F112-A122 HydrophobicContact CD1-CB 3.94Å; F112-A122 HydrophobicContact CE1-CB 3.72Å
113C98.8Very high98.6Very high23 Ų2351.1 Ų51.116%0.15529%0.286CS..Hα-helixtrans-65.4-25.2178.7-66.10000113.5L109 A110 M111 P117L109-C113 PolarHBondContact O-N 3Å; L109-C113 PolarHBondContact O-SG 3.12Å; A110-C113 PolarHBondContact O-N 3.08Å; M111-C113 VanDerWaalsContact C-N 3.34Å; M111-C113 PolarHBondContact O-N 3.45Å; C113-P117 WeakPolarHBondContact O-CA 3.49Å
114V98.7Very high98.6Very high37 Ų3752.9 Ų52.922%0.22429%0.286CS..Hα-helixtrans-71.8-41.5171.51700000111F48 V53 Q57 A110 M111 F112F48-V114 HydrophobicContact CE2-CG1 3.96Å; F48-V114 HydrophobicContact CZ-CG1 3.97Å; F48-V114 HydrophobicContact CZ-CG2 4.35Å; V53-V114 HydrophobicContact CG1-CG1 4Å; V53-V114 HydrophobicContact CG2-CG1 4.28Å; Q57-V114 PolarHBondContact NE2-O 3.4Å; Q57-V114 VanDerWaalsContact NE2-O 3.1Å; A110-V114 WeakPolarHBondContact O-CG2 3.43Å; A110-V114 PolarHBondContact O-N 2.92Å; A110-V114 VanDerWaalsContact O-N 3.08Å; M111-V114 HydrophobicContact CE-CB 4.01Å; M111-V114 HydrophobicContact CE-CG1 3.87Å; M111-V114 WeakPolarHBondContact O-CB 3.41Å; M111-V114 PolarHBondContact O-N 3.38Å; F112-V114 PolarHBondContact O-N 3.09Å
115L98.8Very high98.6Very high17 Ų1749 Ų499%0.08927%0.265CS..Hα-helixtrans-75.3-33.8-179-62.7177.9000112.8L56 Q57 A60 L71 M111 F112 P117L56-L115 HydrophobicContact CB-CD2 3.93Å; Q57-L115 WeakPolarHBondContact CG-O 3.19Å; A60-L115 HydrophobicContact CB-CD1 4.03Å; A60-L115 HydrophobicContact CB-CD2 4.08Å; A60-L115 HydrophobicContact CB-CG 4.47Å; L71-L115 HydrophobicContact CD1-CD1 4.07Å; M111-L115 HydrophobicContact CE-CD1 4.18Å; M111-L115 HydrophobicContact CE-CD2 3.67Å; M111-L115 HydrophobicContact CE-CG 3.67Å; M111-L115 WeakPolarHBondContact O-CG 3.38Å; M111-L115 PolarHBondContact O-N 3.23Å; M111-L115 VanDerWaalsContact O-N 3.14Å; F112-L115 PolarHBondContact O-N 3.2Å; F112-L115 VanDerWaalsContact O-N 3.11Å; L115-P117 VanDerWaalsContact C-CD 3.45Å; L115-P117 WeakPolarHBondContact O-CD 3.14Å
116Y98.6Very high98.7Very high64 Ų6447.5 Ų47.525%0.25126%0.259SS..  trans-127.463.5-175.8-52.9-71.4000111.7F112 E118 N119F112-Y116 HydrophobicContact CD1-CD2 4.26Å; F112-Y116 AromaticContact CD2-CD2 3.53Å; F112-Y116 HydrophobicContact CD2-CD2 3.53Å; F112-Y116 AromaticContact CD2-CE2 3.81Å; F112-Y116 HydrophobicContact CD2-CE2 3.81Å; F112-Y116 HydrophobicContact CE1-CD2 4.09Å; F112-Y116 AromaticContact CE2-CD2 3.31Å; F112-Y116 HydrophobicContact CE2-CD2 3.31Å; F112-Y116 AromaticContact CE2-CE2 3.62Å; F112-Y116 HydrophobicContact CE2-CE2 3.62Å; F112-Y116 HydrophobicContact CE2-CG 4.25Å; F112-Y116 AromaticContact CG-CD2 3.99Å; F112-Y116 HydrophobicContact CG-CD2 3.99Å; F112-Y116 AromaticContact CZ-CD2 3.62Å; F112-Y116 HydrophobicContact CZ-CD2 3.62Å; F112-Y116 HydrophobicContact CZ-CE2 4.33Å; F112-Y116 HydrophobicContact CZ-CG 4.15Å; F112-Y116 PolarHBondContact O-N 2.81Å; Y116-E118 WeakPolarHBondContact CA-OE2 3.36Å; Y116-E118 PolarHBondContact O-N 2.8Å; Y116-E118 VanDerWaalsContact O-N 3.14Å; Y116-N119 WeakPolarHBondContact O-CB 3.28Å; Y116-N119 PolarHBondContact O-N 3.28Å
117P98.4Very high98.7Very high57 Ų5751.1 Ų51.137%0.3727%0.273SS..THydrogen-bonded Turntrans-64.2-17.6-174.928.4-37.8000114.5C113 L115 N119 R123C113-P117 WeakPolarHBondContact O-CA 3.49Å; L115-P117 VanDerWaalsContact C-CD 3.45Å; L115-P117 WeakPolarHBondContact O-CD 3.14Å; P117-N119 VanDerWaalsContact C-N 3.29Å; P117-R123 PolarHBondContact O-NH1 3.33Å
118E98.4Very high98.7Very high133 Ų13351.4 Ų51.462%0.62127%0.265SS*.THydrogen-bonded Turntrans-72.3-19.3174.169.3-82.8-163.200113.2Y116 I120Y116-E118 WeakPolarHBondContact CA-OE2 3.36Å; Y116-E118 PolarHBondContact O-N 2.8Å; Y116-E118 VanDerWaalsContact O-N 3.14Å; E118-I120 WeakPolarHBondContact O-CG1 3.48Å; E118-I120 PolarHBondContact O-N 2.88Å
119N98.6Very high98.7Very high50 Ų5050.2 Ų50.227%0.26725%0.254SS..  trans-78.490.6175.3-168.9-34.6000110.2F112 Y116 P117 E121 A122 R123F112-N119 HydrophobicContact CE1-CB 4.18Å; Y116-N119 WeakPolarHBondContact O-CB 3.28Å; Y116-N119 PolarHBondContact O-N 3.28Å; P117-N119 VanDerWaalsContact C-N 3.29Å; N119-E121 VanDerWaalsContact C-N 3.32Å; N119-E121 PolarHBondContact O-N 3.3Å; N119-E121 PolarHBondContact OD1-N 3.46Å; N119-A122 HydrophobicContact CB-CB 4.21Å; N119-A122 WeakPolarHBondContact OD1-CB 3.2Å; N119-A122 PolarHBondContact OD1-N 3.49Å; N119-R123 PolarHBondContact O-N 2.87Å
120I98.4Very high98.7Very high80 Ų8055.6 Ų55.641%0.4128%0.281SS..Hα-helixtrans-66.5-35.6-176.6-48.2-58.6000111.7E118 R123 D124E118-I120 WeakPolarHBondContact O-CG1 3.48Å; E118-I120 PolarHBondContact O-N 2.88Å; I120-R123 PolarHBondContact O-N 3.47Å; I120-D124 WeakPolarHBondContact O-CB 3.49Å; I120-D124 PolarHBondContact O-N 2.93Å
121E98.6Very high98.7Very high126 Ų12659.2 Ų59.259%0.58929%0.29SS*.Hα-helixtrans-63.5-48.6-180-166.9-175.5-169.700111.4L79 N119 R123 D124 M125L79-E121 HydrophobicContact CD2-CG 4.01Å; N119-E121 VanDerWaalsContact C-N 3.32Å; N119-E121 PolarHBondContact O-N 3.3Å; N119-E121 PolarHBondContact OD1-N 3.46Å; E121-R123 VanDerWaalsContact C-N 3.3Å; E121-R123 PolarHBondContact O-N 2.98Å; E121-D124 PolarHBondContact O-N 3.38Å; E121-M125 PolarHBondContact O-N 3.27Å
122A98.7Very high98.7Very high0 Ų058.3 Ų58.30%028%0.284CS..Hα-helixtrans-60.5-41.1174.900000111.9V75 L79 L109 F112 N119 M125 A126V75-A122 HydrophobicContact CG1-CB 4.14Å; L79-A122 HydrophobicContact CD1-CB 4.23Å; L109-A122 HydrophobicContact CD1-CB 4.44Å; F112-A122 HydrophobicContact CD1-CB 3.94Å; F112-A122 HydrophobicContact CE1-CB 3.72Å; N119-A122 HydrophobicContact CB-CB 4.21Å; N119-A122 WeakPolarHBondContact OD1-CB 3.2Å; N119-A122 PolarHBondContact OD1-N 3.49Å; A122-M125 PolarHBondContact O-N 3.46Å; A122-A126 WeakPolarHBondContact O-CB 3.49Å; A122-A126 PolarHBondContact O-N 3.47Å
123R98.7Very high98.7Very high100 Ų10058.5 Ų58.538%0.37729%0.285SS..Hα-helixtrans-66.4-40.2179.4-172.7178.166.8-164.66.1112.5P117 N119 I120 E121 A126 K127P117-R123 PolarHBondContact O-NH1 3.33Å; N119-R123 PolarHBondContact O-N 2.87Å; I120-R123 PolarHBondContact O-N 3.47Å; E121-R123 VanDerWaalsContact C-N 3.3Å; E121-R123 PolarHBondContact O-N 2.98Å; R123-A126 PolarHBondContact O-N 3.11Å; R123-K127 WeakPolarHBondContact O-CG 3.3Å; R123-K127 PolarHBondContact O-N 3.42Å; R123-K127 VanDerWaalsContact O-N 3.12Å
124D98.7Very high98.6Very high76 Ų7660.9 Ų60.941%0.40631%0.307SS..Hα-helixtrans-74.2-34.3178.4-69.9-18.4000111.3I120 E121 K127 D128I120-D124 WeakPolarHBondContact O-CB 3.49Å; I120-D124 PolarHBondContact O-N 2.93Å; E121-D124 PolarHBondContact O-N 3.38Å; D124-K127 PolarHBondContact O-N 3.4Å; D124-K127 IonicContact OD1-NZ 3.34Å; D124-K127 PolarHBondContact OD1-NZ 3.48Å; D124-D128 PolarHBondContact O-N 3.22Å
125M98.7Very high98.6Very high14 Ų1461.9 Ų61.97%0.06932%0.318CS..Hα-helixtrans-58.8-45.7166.8-175.9-178.4-168.900111.4M78 L79 P82 L86 L109 E121 A122 K127 D128 Y129M78-M125 HydrophobicContact CB-CE 3.84Å; M78-M125 HydrophobicContact CB-SD 4.17Å; L79-M125 HydrophobicContact CD2-CB 4.07Å; L79-M125 HydrophobicContact CD2-CG 4.44Å; L79-M125 HydrophobicContact CD2-SD 3.6Å; L79-M125 VanDerWaalsContact CD2-SD 3.6Å; L79-M125 HydrophobicContact CG-SD 4.2Å; P82-M125 HydrophobicContact CB-CE 4.19Å; L86-M125 HydrophobicContact CD2-CE 4.29Å; L86-M125 HydrophobicContact CD2-CG 4.25Å; L86-M125 HydrophobicContact CG-CE 4.07Å; L109-M125 HydrophobicContact CD2-CG 4.2Å; L109-M125 HydrophobicContact CD2-SD 4.4Å; E121-M125 PolarHBondContact O-N 3.27Å; A122-M125 PolarHBondContact O-N 3.46Å; M125-K127 VanDerWaalsContact C-N 3.3Å; M125-K127 PolarHBondContact O-N 2.98Å; M125-D128 PolarHBondContact O-N 3.37Å; M125-Y129 WeakPolarHBondContact O-CB 3.25Å; M125-Y129 PolarHBondContact O-N 3.49Å
126A98.8Very high98.6Very high12 Ų1261.8 Ų61.810%0.09932%0.317CS..Hα-helixtrans-60.5-39.4179.500000112.2L109 A122 R123 Y129 M130L109-A126 HydrophobicContact CD2-CB 3.89Å; L109-A126 HydrophobicContact CG-CB 3.95Å; A122-A126 WeakPolarHBondContact O-CB 3.49Å; A122-A126 PolarHBondContact O-N 3.47Å; R123-A126 PolarHBondContact O-N 3.11Å; A126-Y129 WeakPolarHBondContact O-CB 3.28Å; A126-Y129 PolarHBondContact O-N 3.23Å; A126-M130 VanDerWaalsContact O-CG 3.3Å; A126-M130 WeakPolarHBondContact O-CG 3.27Å; A126-M130 PolarHBondContact O-N 2.98Å
127K98.8Very high98.5Very high106 Ų10663.9 Ų63.946%0.46134%0.339SS..Hα-helixtrans-63.4-51.2173.5-68.4170.3-170.9160.20111.3R123 D124 M125 Y129 M130 E131R123-K127 WeakPolarHBondContact O-CG 3.3Å; R123-K127 PolarHBondContact O-N 3.42Å; R123-K127 VanDerWaalsContact O-N 3.12Å; D124-K127 PolarHBondContact O-N 3.4Å; D124-K127 IonicContact OD1-NZ 3.34Å; D124-K127 PolarHBondContact OD1-NZ 3.48Å; M125-K127 VanDerWaalsContact C-N 3.3Å; M125-K127 PolarHBondContact O-N 2.98Å; K127-Y129 PolarHBondContact O-N 3.44Å; K127-M130 PolarHBondContact O-N 2.98Å; K127-M130 VanDerWaalsContact O-N 3.11Å; K127-E131 VanDerWaalsContact O-CG 3.32Å; K127-E131 WeakPolarHBondContact O-CG 3.43Å; K127-E131 PolarHBondContact O-N 3.06Å
128D98.8Very high98.4Very high51 Ų5163.9 Ų63.927%0.27334%0.34SS..Hα-helixtrans-59.2-39.1179-170.845000111.5L86 D124 M125 M130 E131 R132L86-D128 WeakPolarHBondContact CD1-OD2 3.44Å; L86-D128 HydrophobicContact CD2-CB 4.41Å; D124-D128 PolarHBondContact O-N 3.22Å; M125-D128 PolarHBondContact O-N 3.37Å; D128-M130 PolarHBondContact O-N 2.91Å; D128-E131 PolarHBondContact O-N 2.83Å; D128-R132 VanDerWaalsContact CG-NE 3.29Å; D128-R132 VanDerWaalsContact O-CD 3.26Å; D128-R132 WeakPolarHBondContact O-CD 3.17Å; D128-R132 VanDerWaalsContact O-CG 3.27Å; D128-R132 WeakPolarHBondContact O-CG 3.25Å; D128-R132 PolarHBondContact O-N 3.44Å; D128-R132 IonicContact OD1-NE 2.77Å; D128-R132 PolarHBondContact OD1-NE 3.31Å; D128-R132 IonicContact OD2-CZ 3.04Å; D128-R132 IonicContact OD2-NE 3.35Å; D128-R132 PolarHBondContact OD2-NE 3.23Å; D128-R132 IonicContact OD2-NH2 2.95Å; D128-R132 PolarHBondContact OD2-NH2 3.4Å; D128-R132 VanDerWaalsContact OD2-NH2 3.09Å
129Y98.8Very high98.4Very high0 Ų064.9 Ų64.90%034%0.339CS..Hα-helixtrans-55.4-51.9173.6-151.1-60.7000111.5Y85 L86 P87 F102 L106 L109 M125 A126 K127 R132 M133Y85-Y129 VanDerWaalsContact O-CE2 3.3Å; Y85-Y129 WeakPolarHBondContact O-CE2 3.46Å; Y85-Y129 PolarHBondContact O-OH 3.5Å; Y85-Y129 VanDerWaalsContact O-OH 3.07Å; L86-Y129 HydrophobicContact CD2-CD2 3.92Å; L86-Y129 HydrophobicContact CD2-CG 4.21Å; P87-Y129 VanDerWaalsContact CD-CE1 3.48Å; P87-Y129 HydrophobicContact CG-CD1 3.59Å; P87-Y129 HydrophobicContact CG-CE1 3.27Å; P87-Y129 HydrophobicContact CG-CG 4.36Å; F102-Y129 VanDerWaalsContact CA-OH 3.29Å; F102-Y129 WeakPolarHBondContact CA-OH 3.4Å; F102-Y129 HydrophobicContact CB-CE1 4.18Å; F102-Y129 VanDerWaalsContact O-CE1 3.28Å; F102-Y129 WeakPolarHBondContact O-CE1 3.28Å; F102-Y129 PolarHBondContact O-OH 3.15Å; L106-Y129 HydrophobicContact CB-CD1 4.2Å; L106-Y129 HydrophobicContact CB-CE1 4.09Å; L106-Y129 HydrophobicContact CD1-CD1 4.05Å; L106-Y129 HydrophobicContact CD1-CG 4.11Å; L106-Y129 HydrophobicContact CD2-CD1 4.42Å; L106-Y129 HydrophobicContact CG-CD1 4.45Å; L109-Y129 HydrophobicContact CD2-CD2 4.09Å; M125-Y129 WeakPolarHBondContact O-CB 3.25Å; M125-Y129 PolarHBondContact O-N 3.49Å; A126-Y129 WeakPolarHBondContact O-CB 3.28Å; A126-Y129 PolarHBondContact O-N 3.23Å; K127-Y129 PolarHBondContact O-N 3.44Å; Y129-R132 PolarHBondContact O-N 3.29Å; Y129-M133 HydrophobicContact CD1-CG 4.24Å; Y129-M133 HydrophobicContact CD1-SD 3.76Å; Y129-M133 HydrophobicContact CE1-CG 4.38Å; Y129-M133 HydrophobicContact CE1-SD 3.71Å; Y129-M133 WeakPolarHBondContact O-CG 3.48Å; Y129-M133 PolarHBondContact O-N 3.02Å
130M98.8Very high98.3Very high114 Ų11469 Ų6956%0.56236%0.36SS*.Hα-helixtrans-66.5-40.2-179.6-70.2177.369.200112.1L106 A126 K127 D128 R132 M133 A134L106-M130 HydrophobicContact CD1-CG 3.95Å; L106-M130 HydrophobicContact CD2-CG 3.95Å; A126-M130 VanDerWaalsContact O-CG 3.3Å; A126-M130 WeakPolarHBondContact O-CG 3.27Å; A126-M130 PolarHBondContact O-N 2.98Å; K127-M130 PolarHBondContact O-N 2.98Å; K127-M130 VanDerWaalsContact O-N 3.11Å; D128-M130 PolarHBondContact O-N 2.91Å; M130-R132 VanDerWaalsContact C-N 3.35Å; M130-R132 PolarHBondContact O-N 3.5Å; M130-M133 PolarHBondContact O-N 3.37Å; M130-A134 VanDerWaalsContact O-CB 3.25Å; M130-A134 WeakPolarHBondContact O-CB 3.48Å; M130-A134 PolarHBondContact O-N 3.22Å
131E98.8Very high98.1Very high121 Ų12166.4 Ų66.457%0.56535%0.348SS*.Hα-helixtrans-59.9-44.7176.6-70.6-65.5163.400111.3W89 K127 D128 M133 A134 A135W89-E131 HydrophobicContact CH2-CB 4Å; K127-E131 VanDerWaalsContact O-CG 3.32Å; K127-E131 WeakPolarHBondContact O-CG 3.43Å; K127-E131 PolarHBondContact O-N 3.06Å; D128-E131 PolarHBondContact O-N 2.83Å; E131-M133 PolarHBondContact O-N 2.86Å; E131-A134 PolarHBondContact O-N 3.23Å; E131-A135 WeakPolarHBondContact O-CB 3.4Å; E131-A135 PolarHBondContact O-N 2.89Å
132R98.6Very high97.7Very high34 Ų3467 Ų6713%0.12835%0.348CS..Hα-helixtrans-62-41.1176.8-71.5156.2177.9-90.61.6112.6P87 W89 D128 Y129 M130 Q136P87-R132 HydrophobicContact CB-CB 4.08Å; P87-R132 HydrophobicContact CG-CB 4.4Å; P87-R132 VanDerWaalsContact O-CD 3.23Å; P87-R132 WeakPolarHBondContact O-CD 3.41Å; P87-R132 PolarHBondContact O-NH1 3.2Å; W89-R132 VanDerWaalsContact CD1-NH1 3.3Å; W89-R132 HydrophobicContact CD2-CG 3.76Å; W89-R132 VanDerWaalsContact CE2-CG 3.42Å; W89-R132 HydrophobicContact CE3-CG 4.12Å; W89-R132 HydrophobicContact CG-CG 4.35Å; W89-R132 HydrophobicContact CH2-CG 3.91Å; W89-R132 HydrophobicContact CZ2-CG 3.51Å; W89-R132 HydrophobicContact CZ3-CG 4.19Å; D128-R132 VanDerWaalsContact CG-NE 3.29Å; D128-R132 VanDerWaalsContact O-CD 3.26Å; D128-R132 WeakPolarHBondContact O-CD 3.17Å; D128-R132 VanDerWaalsContact O-CG 3.27Å; D128-R132 WeakPolarHBondContact O-CG 3.25Å; D128-R132 PolarHBondContact O-N 3.44Å; D128-R132 IonicContact OD1-NE 2.77Å; D128-R132 PolarHBondContact OD1-NE 3.31Å; D128-R132 IonicContact OD2-CZ 3.04Å; D128-R132 IonicContact OD2-NE 3.35Å; D128-R132 PolarHBondContact OD2-NE 3.23Å; D128-R132 IonicContact OD2-NH2 2.95Å; D128-R132 PolarHBondContact OD2-NH2 3.4Å; D128-R132 VanDerWaalsContact OD2-NH2 3.09Å; Y129-R132 PolarHBondContact O-N 3.29Å; M130-R132 VanDerWaalsContact C-N 3.35Å; M130-R132 PolarHBondContact O-N 3.5Å; R132-Q136 WeakPolarHBondContact O-CG 3.36Å; R132-Q136 PolarHBondContact O-NE2 2.69Å
133M98.5Very high96.4Very high13 Ų1374.3 Ų74.36%0.06439%0.387CS..Hα-helixtrans-70.1-40.7176.1-66.7-177.872.100111.9P87 Y94 F102 L106 Y129 M130 E131 A135 Q136 W139P87-M133 HydrophobicContact CB-CG 4.34Å; P87-M133 HydrophobicContact CG-CG 3.78Å; P87-M133 HydrophobicContact CG-SD 4.48Å; Y94-M133 HydrophobicContact CE2-CG 4.23Å; F102-M133 HydrophobicContact CB-CE 4.24Å; F102-M133 HydrophobicContact CB-SD 4.3Å; L106-M133 HydrophobicContact CD2-SD 3.77Å; Y129-M133 HydrophobicContact CD1-CG 4.24Å; Y129-M133 HydrophobicContact CD1-SD 3.76Å; Y129-M133 HydrophobicContact CE1-CG 4.38Å; Y129-M133 HydrophobicContact CE1-SD 3.71Å; Y129-M133 WeakPolarHBondContact O-CG 3.48Å; Y129-M133 PolarHBondContact O-N 3.02Å; M130-M133 PolarHBondContact O-N 3.37Å; E131-M133 PolarHBondContact O-N 2.86Å; M133-A135 VanDerWaalsContact C-N 3.29Å; M133-A135 PolarHBondContact O-N 3.38Å; M133-Q136 WeakPolarHBondContact O-CB 3.43Å; M133-Q136 WeakPolarHBondContact O-CG 3.31Å; M133-Q136 PolarHBondContact O-N 3.07Å; M133-W139 HydrophobicContact CB-CZ2 4.29Å; M133-W139 PolarHBondContact O-NE1 2.97Å
134A98.5Very high94.4Very high74 Ų7475.5 Ų75.561%0.61242%0.419SS*.Hα-helixtrans-67.3-29-179.700000112.8M130 E131 Q136M130-A134 VanDerWaalsContact O-CB 3.25Å; M130-A134 WeakPolarHBondContact O-CB 3.48Å; M130-A134 PolarHBondContact O-N 3.22Å; E131-A134 PolarHBondContact O-N 3.23Å; A134-Q136 PolarHBondContact O-N 2.86Å
135A98.4Very high94.2Very high57 Ų5775.5 Ų75.547%0.47142%0.419SS..THydrogen-bonded Turntrans-74.2-11.3176.300000114.1W89 E131 M133W89-A135 HydrophobicContact CE3-CB 4.03Å; W89-A135 HydrophobicContact CZ3-CB 3.65Å; E131-A135 WeakPolarHBondContact O-CB 3.4Å; E131-A135 PolarHBondContact O-N 2.89Å; M133-A135 VanDerWaalsContact C-N 3.29Å; M133-A135 PolarHBondContact O-N 3.38Å
136Q98.2Very high94Very high15 Ų1578.7 Ų78.77%0.0744%0.438CS..  trans-71.4131.7-177.4-59.7-54.7-44.400111.5P88 P91 Y94 R132 M133 A134 S138P88-Q136 PolarHBondContact O-NE2 3.34Å; P91-Q136 VanDerWaalsContact CA-OE1 3.3Å; Y94-Q136 VanDerWaalsContact CB-OE1 3.31Å; Y94-Q136 HydrophobicContact CD1-CB 4.47Å; Y94-Q136 HydrophobicContact CD1-CG 3.8Å; Y94-Q136 HydrophobicContact CD2-CG 3.61Å; Y94-Q136 HydrophobicContact CE1-CB 4.45Å; Y94-Q136 HydrophobicContact CE1-CG 3.88Å; Y94-Q136 HydrophobicContact CE2-CG 3.65Å; Y94-Q136 VanDerWaalsContact CG-CD 3.43Å; Y94-Q136 HydrophobicContact CG-CG 3.69Å; R132-Q136 WeakPolarHBondContact O-CG 3.36Å; R132-Q136 PolarHBondContact O-NE2 2.69Å; M133-Q136 WeakPolarHBondContact O-CB 3.43Å; M133-Q136 WeakPolarHBondContact O-CG 3.31Å; M133-Q136 PolarHBondContact O-N 3.07Å; A134-Q136 PolarHBondContact O-N 2.86Å; Q136-S138 PolarHBondContact O-N 3.4Å
137P97.3Very high93.7Very high108 Ų10882.4 Ų82.470%0.70146%0.456SS*.SBendtrans-70.5-21.5178.129.6-35.7000112.9P91P91-P137 HydrophobicContact CB-CG 3.86Å; P91-P137 HydrophobicContact CG-CG 3.89Å
138S96.3Very high93.4Very high57 Ų5781 Ų8140%0.39946%0.456SS..  trans-154.9142.7176.1177.80000108.8Q136 L140Q136-S138 PolarHBondContact O-N 3.4Å; S138-L140 PolarHBondContact OG-N 3.15Å; S138-L140 VanDerWaalsContact OG-N 3.15Å
139W97.1Very high93.1Very high155 Ų15582.9 Ų82.959%0.58747%0.468SS*.  trans-94-4171.8-67.7-2.2000113.1M133M133-W139 HydrophobicContact CB-CZ2 4.29Å; M133-W139 PolarHBondContact O-NE1 2.97Å
140L96.3Very high92.7Very high136 Ų13688.4 Ų88.471%0.71250%0.499SS*.SBendtrans-67.9137.1176.4-59.7178.4000110.3S95 S138S95-L140 WeakPolarHBondContact CB-O 3.45Å; S138-L140 PolarHBondContact OG-N 3.15Å; S138-L140 VanDerWaalsContact OG-N 3.15Å
141V95.8Very high92.3Very high26 Ų2686.6 Ų86.616%0.15849%0.494CS..PPolyproline II helixtrans-69.5137.2171.3177.70000108.4R97 W98 N99 A144R97-V141 WeakPolarHBondContact O-CG1 3.44Å; W98-V141 HydrophobicContact CE3-CG2 4.17Å; N99-V141 WeakPolarHBondContact OD1-CG2 3.5Å; V141-A144 HydrophobicContact CB-CB 3.9Å; V141-A144 HydrophobicContact CG1-CB 4.18Å
142K88.3Confident91.8Very high137 Ų13783.9 Ų83.960%0.59649%0.489SS*.THydrogen-bonded Turntrans-72.2131.2177.2-164.5-179.2174.3-176.60109S95 A144S95-K142 WeakPolarHBondContact O-CB 3.23Å; S95-K142 PolarHBondContact O-N 3.04Å; K142-A144 VanDerWaalsContact C-N 3.32Å; K142-A144 PolarHBondContact O-N 3.46Å
143D72.6Confident91.2Very high154 Ų15488.1 Ų88.182%0.82452%0.519SS*.THydrogen-bonded Turntrans67.523.6179.1-46.1-45.2000115.4
144A57.3Low90.5Very high125 Ų12594.9 Ų94.9100%1.03356%0.56SS**  trans-79.50170.800000113.7W98 V141 K142W98-A144 HydrophobicContact CZ3-CB 4.44Å; V141-A144 HydrophobicContact CB-CB 3.9Å; V141-A144 HydrophobicContact CG1-CB 4.18Å; K142-A144 VanDerWaalsContact C-N 3.32Å; K142-A144 PolarHBondContact O-N 3.46Å

Retrieved 144 of 144 residues in 27 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).