G4VKY9_SCHMA Loading...

Smp_203200

AlphaFold DB , UniProt , Accession G4VKY9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 164 aa.

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

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
1M59.2Low81.1Confident201 Ų201122.2 Ų122.299%0.9962%0.621SS**  0-40.50-86.8171.3126.600114.1R3 N4 H5M1-R3 PolarHBondContact O-N 3.42Å; M1-N4 PolarHBondContact O-N 3.2Å; M1-H5 PolarHBondContact O-CD2 3.25Å
2I68.1Low82.2Confident151 Ų151121.2 Ų121.277%0.77462%0.617SS**Hα-helixtrans-56.6-38.3-174.4-66.6157.7000114.6N4 H5 S6I2-N4 VanDerWaalsContact C-N 3.29Å; I2-N4 PolarHBondContact O-N 3.34Å; I2-H5 PolarHBondContact O-N 3.19Å; I2-S6 PolarHBondContact O-N 3.31Å
3R74.6Confident83.1Confident213 Ų213120.2 Ų120.280%0.80461%0.613SS**Hα-helixtrans-62.9-32-179.3-171.8170.2163.3-174.7-5.7113.5M1 T7M1-R3 PolarHBondContact O-N 3.42Å; R3-T7 PolarHBondContact O-N 3.3Å
4N75.9Confident83.9Confident114 Ų114119.9 Ų119.961%0.6161%0.613SS**Hα-helixtrans-74.2-29.9178.6-68.36.4000111.9M1 I2 T7 V8M1-N4 PolarHBondContact O-N 3.2Å; I2-N4 VanDerWaalsContact C-N 3.29Å; I2-N4 PolarHBondContact O-N 3.34Å; N4-T7 PolarHBondContact O-OG1 2.92Å; N4-V8 VanDerWaalsContact O-CG2 3.27Å; N4-V8 WeakPolarHBondContact O-CG2 3.27Å; N4-V8 PolarHBondContact O-N 3.47Å
5H79.7Confident84.7Confident118 Ų118117.2 Ų117.255%0.54660%0.604SS.*Hα-helixtrans-70.4-39.1176.1-70.6-73000111.9M1 I2 T7 V8 I9M1-H5 PolarHBondContact O-CD2 3.25Å; I2-H5 PolarHBondContact O-N 3.19Å; H5-T7 PolarHBondContact O-N 3.26Å; H5-V8 PolarHBondContact O-N 3.12Å; H5-I9 VanDerWaalsContact O-CG1 3.31Å; H5-I9 WeakPolarHBondContact O-CG1 3.31Å; H5-I9 PolarHBondContact O-N 3.45Å
6S82.8Confident85.4Confident65 Ų65114.1 Ų114.146%0.45559%0.592SS.*Hα-helixtrans-61-43.5178178.50000112I2 V8 I9 I10I2-S6 PolarHBondContact O-N 3.31Å; S6-V8 VanDerWaalsContact C-N 3.35Å; S6-V8 PolarHBondContact O-N 3.45Å; S6-I9 PolarHBondContact O-N 3.38Å; S6-I10 VanDerWaalsContact O-CG1 3.31Å; S6-I10 WeakPolarHBondContact O-CG1 3.31Å; S6-I10 PolarHBondContact O-N 3Å; S6-I10 VanDerWaalsContact O-N 3.12Å
7T85.7Confident85.8Confident80 Ų80114.1 Ų114.149%0.49159%0.59SS.*Hα-helixtrans-65.7-36.7177.7510000112.6R3 N4 H5 L11R3-T7 PolarHBondContact O-N 3.3Å; N4-T7 PolarHBondContact O-OG1 2.92Å; H5-T7 PolarHBondContact O-N 3.26Å; T7-L11 WeakPolarHBondContact O-CB 3.43Å; T7-L11 PolarHBondContact O-N 3.3Å; T7-L11 VanDerWaalsContact O-N 3.1Å
8V90.4Very high86.2Confident91 Ų91116.4 Ų116.455%0.55259%0.592SS**Hα-helixtrans-66.7-42.5177.4172.20000111.2N4 H5 S6 L11 L12N4-V8 VanDerWaalsContact O-CG2 3.27Å; N4-V8 WeakPolarHBondContact O-CG2 3.27Å; N4-V8 PolarHBondContact O-N 3.47Å; H5-V8 PolarHBondContact O-N 3.12Å; S6-V8 VanDerWaalsContact C-N 3.35Å; S6-V8 PolarHBondContact O-N 3.45Å; V8-L11 PolarHBondContact O-N 3.45Å; V8-L12 WeakPolarHBondContact O-CB 3.45Å; V8-L12 PolarHBondContact O-N 3.03Å
9I91.1Very high86.6Confident101 Ų101118.4 Ų118.452%0.51859%0.592SS.*Hα-helixtrans-63.1-44.4178.4-66.9164.5000110.9H5 S6 L11 L12 L13H5-I9 VanDerWaalsContact O-CG1 3.31Å; H5-I9 WeakPolarHBondContact O-CG1 3.31Å; H5-I9 PolarHBondContact O-N 3.45Å; S6-I9 PolarHBondContact O-N 3.38Å; I9-L11 VanDerWaalsContact C-N 3.31Å; I9-L11 PolarHBondContact O-N 3.1Å; I9-L12 PolarHBondContact O-N 3.32Å; I9-L13 HydrophobicContact CG2-CD1 4.33Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 3.01Å
10I92.3Very high86.6Confident93 Ų93116.9 Ų116.948%0.47759%0.585SS.*Hα-helixtrans-61.1-42.8178.1-67.1165.1000110.7S6 L12 L13 L14S6-I10 VanDerWaalsContact O-CG1 3.31Å; S6-I10 WeakPolarHBondContact O-CG1 3.31Å; S6-I10 PolarHBondContact O-N 3Å; S6-I10 VanDerWaalsContact O-N 3.12Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 3.26Å; I10-L13 PolarHBondContact O-N 3.43Å; I10-L14 HydrophobicContact CG2-CD1 4.39Å; I10-L14 WeakPolarHBondContact O-CG 3.44Å; I10-L14 PolarHBondContact O-N 3.03Å
11L92.6Very high86.5Confident117 Ų117114.2 Ų114.261%0.61358%0.578SS**Hα-helixtrans-65.3-37.7179.8-149.5146000111.4T7 V8 I9 L14 V15T7-L11 WeakPolarHBondContact O-CB 3.43Å; T7-L11 PolarHBondContact O-N 3.3Å; T7-L11 VanDerWaalsContact O-N 3.1Å; V8-L11 PolarHBondContact O-N 3.45Å; I9-L11 VanDerWaalsContact C-N 3.31Å; I9-L11 PolarHBondContact O-N 3.1Å; L11-L14 PolarHBondContact O-N 3.14Å; L11-V15 WeakPolarHBondContact O-CG2 3.5Å; L11-V15 PolarHBondContact O-N 3.49Å; L11-V15 VanDerWaalsContact O-N 3.14Å
12L93.9Very high87.7Confident110 Ų110107.4 Ų107.458%0.57654%0.544SS*.Hα-helixtrans-65.9-42175.9-144.3157.6000111.6V8 I9 I10 L14 V15 V16V8-L12 WeakPolarHBondContact O-CB 3.45Å; V8-L12 PolarHBondContact O-N 3.03Å; I9-L12 PolarHBondContact O-N 3.32Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 3.26Å; L12-L14 PolarHBondContact O-N 3.46Å; L12-V15 PolarHBondContact O-N 3.39Å; L12-V16 HydrophobicContact CD2-CG2 4.22Å; L12-V16 WeakPolarHBondContact O-CG2 3.4Å; L12-V16 PolarHBondContact O-N 3.3Å
13L94.2Very high88.3Confident109 Ų109104.7 Ų104.757%0.57153%0.531SS*.Hα-helixtrans-63.1-40.5175.2-70.2174.6000112.3I9 I10 V15 V16 M17I9-L13 HydrophobicContact CG2-CD1 4.33Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 3.01Å; I10-L13 PolarHBondContact O-N 3.43Å; L13-V15 VanDerWaalsContact C-N 3.33Å; L13-V15 PolarHBondContact O-N 3.05Å; L13-V16 PolarHBondContact O-N 2.93Å; L13-M17 WeakPolarHBondContact O-CG 3.34Å; L13-M17 PolarHBondContact O-N 3.2Å
14L94.7Very high88.4Confident115 Ų11599.2 Ų99.260%0.60252%0.517SS*.Hα-helixtrans-62.5-40.1176.2-72.1174.4000112.1I10 L11 L12 M17 Y18I10-L14 HydrophobicContact CG2-CD1 4.39Å; I10-L14 WeakPolarHBondContact O-CG 3.44Å; I10-L14 PolarHBondContact O-N 3.03Å; L11-L14 PolarHBondContact O-N 3.14Å; L12-L14 PolarHBondContact O-N 3.46Å; L14-M17 PolarHBondContact O-N 3.43Å; L14-Y18 WeakPolarHBondContact O-CB 3.33Å; L14-Y18 PolarHBondContact O-N 3.39Å
15V95.5Very high88.2Confident80 Ų8098.5 Ų98.549%0.48551%0.513SS..Hα-helixtrans-64.3-42.6175.8172.70000111.2L11 L12 L13 Y18 Y19L11-V15 WeakPolarHBondContact O-CG2 3.5Å; L11-V15 PolarHBondContact O-N 3.49Å; L11-V15 VanDerWaalsContact O-N 3.14Å; L12-V15 PolarHBondContact O-N 3.39Å; L13-V15 VanDerWaalsContact C-N 3.33Å; L13-V15 PolarHBondContact O-N 3.05Å; V15-Y18 PolarHBondContact O-N 2.97Å; V15-Y19 PolarHBondContact O-N 3.48Å
16V95.3Very high87.4Confident68 Ų6898.9 Ų98.941%0.41252%0.515SS..Hα-helixtrans-62.9-46.7176.8172.50000111L12 L13 Y18 Y19 I20L12-V16 HydrophobicContact CD2-CG2 4.22Å; L12-V16 WeakPolarHBondContact O-CG2 3.4Å; L12-V16 PolarHBondContact O-N 3.3Å; L13-V16 PolarHBondContact O-N 2.93Å; V16-Y18 VanDerWaalsContact C-N 3.33Å; V16-Y18 PolarHBondContact O-N 3.44Å; V16-Y19 PolarHBondContact O-N 3.29Å; V16-I20 HydrophobicContact CG1-CD1 3.91Å; V16-I20 WeakPolarHBondContact O-CG1 3.34Å; V16-I20 PolarHBondContact O-N 2.98Å
17M92.6Very high86.4Confident114 Ų11498.2 Ų98.256%0.56251%0.51SS*.Hα-helixtrans-61.8-41.6178-70-57.1-62.800111.9L13 L14 Y19 I20 S21L13-M17 WeakPolarHBondContact O-CG 3.34Å; L13-M17 PolarHBondContact O-N 3.2Å; L14-M17 PolarHBondContact O-N 3.43Å; M17-Y19 VanDerWaalsContact C-N 3.35Å; M17-Y19 PolarHBondContact O-N 3.13Å; M17-I20 PolarHBondContact O-N 2.93Å; M17-I20 HydrophobicContact SD-CD1 4.38Å; M17-S21 PolarHBondContact O-N 3.46Å; M17-S21 PolarHBondContact O-OG 3.07Å; M17-S21 VanDerWaalsContact O-OG 3.13Å
18Y93.6Very high85Confident156 Ų15698.8 Ų98.861%0.61251%0.509SS*.Hα-helixtrans-61.1-42.3175180-106.9000112.2L14 V15 V16 S21 I22L14-Y18 WeakPolarHBondContact O-CB 3.33Å; L14-Y18 PolarHBondContact O-N 3.39Å; V15-Y18 PolarHBondContact O-N 2.97Å; V16-Y18 VanDerWaalsContact C-N 3.33Å; V16-Y18 PolarHBondContact O-N 3.44Å; Y18-S21 WeakPolarHBondContact O-CB 3.39Å; Y18-S21 PolarHBondContact O-N 3.26Å; Y18-I22 HydrophobicContact CD1-CD1 3.9Å; Y18-I22 HydrophobicContact CE1-CD1 3.34Å; Y18-I22 HydrophobicContact CE1-CG1 4.34Å; Y18-I22 HydrophobicContact CE2-CD1 4.34Å; Y18-I22 PolarHBondContact O-N 3.48Å
19Y92.6Very high83.3Confident154 Ų154100.1 Ų100.160%0.60451%0.513SS*.Hα-helixtrans-63.8-42.9176.8-126.6-83.9000112.3V15 V16 M17 S21 I22 I23V15-Y19 PolarHBondContact O-N 3.48Å; V16-Y19 PolarHBondContact O-N 3.29Å; M17-Y19 VanDerWaalsContact C-N 3.35Å; M17-Y19 PolarHBondContact O-N 3.13Å; Y19-S21 VanDerWaalsContact C-N 3.31Å; Y19-S21 PolarHBondContact O-N 3.34Å; Y19-I22 PolarHBondContact O-N 3.3Å; Y19-I23 HydrophobicContact CD1-CD1 4.13Å; Y19-I23 WeakPolarHBondContact O-CG1 3.48Å; Y19-I23 PolarHBondContact O-N 2.94Å
20I87.8Confident81.4Confident88 Ų8899.1 Ų99.145%0.45151%0.514SS..Hα-helixtrans-61.1-42.4175.2-65.8166.4000110.1V16 M17 I22 I23 N24V16-I20 HydrophobicContact CG1-CD1 3.91Å; V16-I20 WeakPolarHBondContact O-CG1 3.34Å; V16-I20 PolarHBondContact O-N 2.98Å; M17-I20 PolarHBondContact O-N 2.93Å; M17-I20 HydrophobicContact SD-CD1 4.38Å; I20-I22 PolarHBondContact O-N 3.04Å; I20-I23 PolarHBondContact O-N 2.72Å; I20-N24 WeakPolarHBondContact O-CB 3.45Å; I20-N24 PolarHBondContact O-N 2.98Å
21S85Confident79.4Confident61 Ų6198.5 Ų98.543%0.42751%0.514SS..Hα-helixtrans-61-42.9176.5-62.30000112.8M17 Y18 Y19 N24 I25M17-S21 PolarHBondContact O-N 3.46Å; M17-S21 PolarHBondContact O-OG 3.07Å; M17-S21 VanDerWaalsContact O-OG 3.13Å; Y18-S21 WeakPolarHBondContact O-CB 3.39Å; Y18-S21 PolarHBondContact O-N 3.26Å; Y19-S21 VanDerWaalsContact C-N 3.31Å; Y19-S21 PolarHBondContact O-N 3.34Å; S21-N24 PolarHBondContact O-N 3.36Å; S21-I25 WeakPolarHBondContact O-CD1 3.46Å; S21-I25 VanDerWaalsContact O-CG1 3.28Å; S21-I25 WeakPolarHBondContact O-CG1 3.32Å; S21-I25 PolarHBondContact O-N 3.38Å
22I84Confident77.3Confident57 Ų5796.9 Ų96.929%0.29251%0.51SS..Hα-helixtrans-62.4-46.9177-69173.7000111.2Y18 Y19 I20 N24 I25 Q26Y18-I22 HydrophobicContact CD1-CD1 3.9Å; Y18-I22 HydrophobicContact CE1-CD1 3.34Å; Y18-I22 HydrophobicContact CE1-CG1 4.34Å; Y18-I22 HydrophobicContact CE2-CD1 4.34Å; Y18-I22 PolarHBondContact O-N 3.48Å; Y19-I22 PolarHBondContact O-N 3.3Å; I20-I22 PolarHBondContact O-N 3.04Å; I22-N24 VanDerWaalsContact C-N 3.29Å; I22-N24 PolarHBondContact O-N 3.42Å; I22-I25 PolarHBondContact O-N 2.99Å; I22-Q26 PolarHBondContact O-N 3.28Å
23I79.6Confident75.1Confident95 Ų9597.6 Ų97.649%0.48751%0.513SS..Hα-helixtrans-61.1-42.5179-66.8169000110.2Y19 I20 I25 Q26 S27Y19-I23 HydrophobicContact CD1-CD1 4.13Å; Y19-I23 WeakPolarHBondContact O-CG1 3.48Å; Y19-I23 PolarHBondContact O-N 2.94Å; I20-I23 PolarHBondContact O-N 2.72Å; I23-I25 PolarHBondContact O-N 3.05Å; I23-Q26 PolarHBondContact O-N 3.45Å; I23-S27 WeakPolarHBondContact O-CB 3.28Å; I23-S27 PolarHBondContact O-N 3.21Å
24N76.9Confident72.9Confident98 Ų9898 Ų9852%0.52452%0.515SS..Hα-helixtrans-61.3-46.3177.8-119.12.5000111.5I20 S21 I22 Q26 S27 I28I20-N24 WeakPolarHBondContact O-CB 3.45Å; I20-N24 PolarHBondContact O-N 2.98Å; S21-N24 PolarHBondContact O-N 3.36Å; I22-N24 VanDerWaalsContact C-N 3.29Å; I22-N24 PolarHBondContact O-N 3.42Å; N24-Q26 PolarHBondContact O-N 3.35Å; N24-S27 PolarHBondContact O-N 3.49Å; N24-S27 PolarHBondContact O-OG 2.93Å; N24-I28 WeakPolarHBondContact O-CG1 3.39Å; N24-I28 PolarHBondContact O-N 3Å
25I71.6Confident70.4Confident99 Ų9995.9 Ų95.951%0.50851%0.505SS..Hα-helixtrans-60.9-44.3178.3-68.8159.7000111.2S21 I22 I23 S27 I28 N29S21-I25 WeakPolarHBondContact O-CD1 3.46Å; S21-I25 VanDerWaalsContact O-CG1 3.28Å; S21-I25 WeakPolarHBondContact O-CG1 3.32Å; S21-I25 PolarHBondContact O-N 3.38Å; I22-I25 PolarHBondContact O-N 2.99Å; I23-I25 PolarHBondContact O-N 3.05Å; I25-S27 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 3.16Å; I25-I28 PolarHBondContact O-N 3.32Å; I25-N29 PolarHBondContact O-N 3.47Å; I25-N29 VanDerWaalsContact O-N 3.16Å
26Q64.4Low68.1Low126 Ų12697.5 Ų97.559%0.58951%0.51SS*.Hα-helixtrans-62.6-41176.6-74.6-178.1-22.800111.9I22 I23 N24 I28 N29 C30I22-Q26 PolarHBondContact O-N 3.28Å; I23-Q26 PolarHBondContact O-N 3.45Å; N24-Q26 PolarHBondContact O-N 3.35Å; Q26-I28 VanDerWaalsContact C-N 3.32Å; Q26-I28 PolarHBondContact O-N 3.12Å; Q26-N29 PolarHBondContact O-N 3.19Å; Q26-C30 PolarHBondContact O-N 2.78Å; Q26-C30 VanDerWaalsContact O-N 3.12Å
27S60.2Low65.9Low51 Ų51101.4 Ų101.436%0.35753%0.528SS..Hα-helixtrans-64.3-34.8178.177.70000113I23 N24 I25 T31I23-S27 WeakPolarHBondContact O-CB 3.28Å; I23-S27 PolarHBondContact O-N 3.21Å; N24-S27 PolarHBondContact O-N 3.49Å; N24-S27 PolarHBondContact O-OG 2.93Å; I25-S27 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 3.16Å; S27-T31 WeakPolarHBondContact O-CB 3.21Å; S27-T31 VanDerWaalsContact O-CG2 3.24Å; S27-T31 WeakPolarHBondContact O-CG2 3.24Å; S27-T31 PolarHBondContact O-N 3.28Å; S27-T31 PolarHBondContact O-OG1 3.18Å
28I57.3Low63.7Low92 Ų92102 Ų10247%0.47253%0.532SS..Hα-helixtrans-68.9-41.7176.3-65.1161.3000110.6N24 I25 Q26 C30 T31 T32N24-I28 WeakPolarHBondContact O-CG1 3.39Å; N24-I28 PolarHBondContact O-N 3Å; I25-I28 PolarHBondContact O-N 3.32Å; Q26-I28 VanDerWaalsContact C-N 3.32Å; Q26-I28 PolarHBondContact O-N 3.12Å; I28-C30 VanDerWaalsContact C-N 3.35Å; I28-C30 PolarHBondContact O-N 3.43Å; I28-T31 PolarHBondContact O-N 3.35Å; I28-T31 PolarHBondContact O-OG1 3.45Å; I28-T32 HydrophobicContact CG2-CG2 4.19Å; I28-T32 WeakPolarHBondContact O-CG2 3.44Å; I28-T32 PolarHBondContact O-N 3.41Å; I28-T32 PolarHBondContact O-OG1 3.12Å; I28-T32 VanDerWaalsContact O-OG1 3.12Å
29N53.8Low61.5Low118 Ų118102 Ų10263%0.63153%0.532SS*.Hα-helixtrans-68-33.9-179.9-73.3-9.5000112.7I25 Q26I25-N29 PolarHBondContact O-N 3.47Å; I25-N29 VanDerWaalsContact O-N 3.16Å; Q26-N29 PolarHBondContact O-N 3.19Å
30C51.4Low59.6Low80 Ų8098.1 Ų98.154%0.54153%0.525SS..Hα-helixtrans-73.6-32.9176.1-69.50000112.7Q26 I28Q26-C30 PolarHBondContact O-N 2.78Å; Q26-C30 VanDerWaalsContact O-N 3.12Å; I28-C30 VanDerWaalsContact C-N 3.35Å; I28-C30 PolarHBondContact O-N 3.43Å
31T50.1Low58.1Low80 Ų80102.3 Ų102.349%0.49154%0.54SS..Hα-helixtrans-83.6-15.6-171.748.30000115.1S27 I28S27-T31 WeakPolarHBondContact O-CB 3.21Å; S27-T31 VanDerWaalsContact O-CG2 3.24Å; S27-T31 WeakPolarHBondContact O-CG2 3.24Å; S27-T31 PolarHBondContact O-N 3.28Å; S27-T31 PolarHBondContact O-OG1 3.18Å; I28-T31 PolarHBondContact O-N 3.35Å; I28-T31 PolarHBondContact O-OG1 3.45Å
32T49.6Very low56.8Low84 Ų84107.4 Ų107.452%0.51556%0.558SS.*THydrogen-bonded Turntrans-84.1-22.8-16039.60000116.6I28I28-T32 HydrophobicContact CG2-CG2 4.19Å; I28-T32 WeakPolarHBondContact O-CG2 3.44Å; I28-T32 PolarHBondContact O-N 3.41Å; I28-T32 PolarHBondContact O-OG1 3.12Å; I28-T32 VanDerWaalsContact O-OG1 3.12Å
33I47.8Very low55.5Low125 Ų125110 Ų11064%0.64157%0.568SS**THydrogen-bonded Turntrans-141.2-42.4-175.2-51.4177.2000114.4
34N46.9Very low54.6Low116 Ų116111 Ų11162%0.6257%0.569SS**THydrogen-bonded Turntrans-102-27.7-168.9-67.7-20.5000114.3L36 L37 I38N34-L36 VanDerWaalsContact C-N 3.32Å; N34-L36 PolarHBondContact O-N 3.41Å; N34-L37 PolarHBondContact O-N 3.38Å; N34-L37 VanDerWaalsContact O-N 3.09Å; N34-I38 PolarHBondContact O-N 3.03Å
35D42.9Very low54Low71 Ų71114.9 Ų114.938%0.3858%0.581SS.*THydrogen-bonded Turntrans-72.8-22.7-178.9-95.4-4.5000113.2L37 I38 Y39D35-L37 PolarHBondContact O-N 3.33Å; D35-I38 PolarHBondContact O-N 3.09Å; D35-Y39 WeakPolarHBondContact O-CD2 2.91Å; D35-Y39 WeakPolarHBondContact O-CE2 3.12Å
36L46.3Very low53.4Low114 Ų114115.5 Ų115.560%0.59759%0.585SS**THydrogen-bonded Turntrans-60.7-14.9169.3-83.3117.1000113.4N34N34-L36 VanDerWaalsContact C-N 3.32Å; N34-L36 PolarHBondContact O-N 3.41Å
37L48.7Very low53.4Low150 Ų150113.7 Ų113.779%0.78558%0.575SS**THydrogen-bonded Turntrans-114.8-11.8-178.7-76.5132.8000114.4N34 D35 Y39N34-L37 PolarHBondContact O-N 3.38Å; N34-L37 VanDerWaalsContact O-N 3.09Å; D35-L37 PolarHBondContact O-N 3.33Å; L37-Y39 PolarHBondContact O-N 3.41Å
38I46.4Very low53.5Low126 Ų126118.8 Ų118.865%0.64659%0.591SS**  trans-96.579.4174.2-64.5171.6000108.4N34 D35N34-I38 PolarHBondContact O-N 3.03Å; D35-I38 PolarHBondContact O-N 3.09Å
39Y48.3Very low53.9Low158 Ų158119.1 Ų119.162%0.6259%0.593SS**  trans-120.1143.5178.6-91.6-90000113.7D35 L37D35-Y39 WeakPolarHBondContact O-CD2 2.91Å; D35-Y39 WeakPolarHBondContact O-CE2 3.12Å; L37-Y39 PolarHBondContact O-N 3.41Å
40P53.4Low54.6Low71 Ų71117.2 Ų117.246%0.46158%0.582SS.*  trans-66143.7-165.626.7-31.4000111.6Q42 H43P40-Q42 PolarHBondContact O-N 3.21Å; P40-H43 PolarHBondContact O-N 3.46Å
41K54.9Low55.2Low176 Ų176117.2 Ų117.277%0.76557%0.574SS**G310 helixtrans-47.9-25.4-178.8-92.4178.4176.2175.90114.3H43 K44K41-H43 PolarHBondContact O-N 2.86Å; K41-K44 HydrophobicContact CG-CD 4.42Å
42Q59.3Low55.7Low169 Ų169118.1 Ų118.179%0.7957%0.569SS**G310 helixtrans-68-30.6-174.1-63.9-176.3-1400113.4P40P40-Q42 PolarHBondContact O-N 3.21Å
43H55.3Low56.1Low110 Ų110116.9 Ų116.951%0.50956%0.559SS.*G310 helixtrans-105.311.2-175.8-53.8-64.5000114.3P40 K41 K45 L46 F47P40-H43 PolarHBondContact O-N 3.46Å; K41-H43 PolarHBondContact O-N 2.86Å; H43-K45 PolarHBondContact O-N 3.46Å; H43-K45 VanDerWaalsContact O-N 3.08Å; H43-L46 PolarHBondContact O-N 3.21Å; H43-L46 VanDerWaalsContact O-N 3.09Å; H43-F47 WeakPolarHBondContact O-CB 3.05Å; H43-F47 PolarHBondContact O-N 3.33Å
44K61.9Low56.9Low116 Ų116115.5 Ų115.550%0.50455%0.552SS.*Hα-helixtrans-52.9-35.6-178.2-76.4-175.2174.2-169.50113.5K41 K48K41-K44 HydrophobicContact CG-CD 4.42Å; K44-K48 WeakPolarHBondContact O-CB 2.89Å; K44-K48 VanDerWaalsContact O-CG 3.24Å; K44-K48 WeakPolarHBondContact O-CG 3.4Å; K44-K48 PolarHBondContact O-N 3.04Å
45K63.8Low57.4Low180 Ų180120 Ų12078%0.78356%0.56SS**Hα-helixtrans-69.7-50.2177.8-74.3-174.2178.8-179.20111.8H43 F47 K48 I49H43-K45 PolarHBondContact O-N 3.46Å; H43-K45 VanDerWaalsContact O-N 3.08Å; K45-F47 VanDerWaalsContact C-N 3.32Å; K45-F47 PolarHBondContact O-N 3.08Å; K45-K48 PolarHBondContact O-N 2.92Å; K45-I49 WeakPolarHBondContact O-CG1 3.39Å; K45-I49 PolarHBondContact O-N 2.85Å
46L59.6Low58.4Low113 Ų113118 Ų11859%0.59255%0.549SS*.Hα-helixtrans-63-42.9-179-141.394.1000110.7H43 I49 I50H43-L46 PolarHBondContact O-N 3.21Å; H43-L46 VanDerWaalsContact O-N 3.09Å; L46-I49 WeakPolarHBondContact O-CB 3.13Å; L46-I49 PolarHBondContact O-N 3.09Å; L46-I50 HydrophobicContact CD2-CD1 4.07Å; L46-I50 HydrophobicContact CG-CD1 4.41Å; L46-I50 VanDerWaalsContact O-CG1 3.3Å; L46-I50 WeakPolarHBondContact O-CG1 3.41Å; L46-I50 PolarHBondContact O-N 3.07Å
47F62.8Low59.2Low88 Ų88114.3 Ų114.339%0.38653%0.531SS..Hα-helixtrans-66.1-41.1178.1-171.3-98.1000112.5H43 K45 I49 I50 H51H43-F47 WeakPolarHBondContact O-CB 3.05Å; H43-F47 PolarHBondContact O-N 3.33Å; K45-F47 VanDerWaalsContact C-N 3.32Å; K45-F47 PolarHBondContact O-N 3.08Å; F47-I49 VanDerWaalsContact C-N 3.27Å; F47-I49 PolarHBondContact O-N 2.81Å; F47-I50 PolarHBondContact O-N 3.39Å; F47-H51 AromaticContact CD1-CD2 3.61Å; F47-H51 AromaticContact CD2-CD2 3.85Å; F47-H51 AromaticContact CE1-CD2 3.13Å; F47-H51 WeakPolarHBondContact CE1-CD2 3.41Å; F47-H51 AromaticContact CE1-CG 3.94Å; F47-H51 AromaticContact CE1-NE2 3.41Å; F47-H51 WeakPolarHBondContact CE1-NE2 3.3Å; F47-H51 AromaticContact CE2-CD2 3.4Å; F47-H51 VanDerWaalsContact CE2-CD2 3.4Å; F47-H51 WeakPolarHBondContact CE2-CD2 3.49Å; F47-H51 AromaticContact CE2-NE2 3.39Å; F47-H51 WeakPolarHBondContact CE2-NE2 3.36Å; F47-H51 AromaticContact CG-CD2 3.98Å; F47-H51 AromaticContact CZ-CD2 3.05Å; F47-H51 WeakPolarHBondContact CZ-CD2 3.45Å; F47-H51 AromaticContact CZ-CE1 3.96Å; F47-H51 AromaticContact CZ-NE2 2.89Å; F47-H51 WeakPolarHBondContact CZ-NE2 3.29Å; F47-H51 WeakPolarHBondContact O-CB 3.24Å; F47-H51 PolarHBondContact O-N 3.14Å
48K63.7Low59.8Low157 Ų157111.7 Ų111.768%0.68352%0.522SS*.Hα-helixtrans-56.6-44.6171.9-84.2-179.1179.4-169.90110.9K44 K45 Y52K44-K48 WeakPolarHBondContact O-CB 2.89Å; K44-K48 VanDerWaalsContact O-CG 3.24Å; K44-K48 WeakPolarHBondContact O-CG 3.4Å; K44-K48 PolarHBondContact O-N 3.04Å; K45-K48 PolarHBondContact O-N 2.92Å; K48-Y52 WeakPolarHBondContact O-CB 3.23Å; K48-Y52 PolarHBondContact O-N 2.82Å
49I66Low60.7Low100 Ų100107.1 Ų107.151%0.51350%0.5SS..Hα-helixtrans-64.5-46.1177.6-65.9163.8000110.7K45 L46 F47 Y52 L53K45-I49 WeakPolarHBondContact O-CG1 3.39Å; K45-I49 PolarHBondContact O-N 2.85Å; L46-I49 WeakPolarHBondContact O-CB 3.13Å; L46-I49 PolarHBondContact O-N 3.09Å; F47-I49 VanDerWaalsContact C-N 3.27Å; F47-I49 PolarHBondContact O-N 2.81Å; I49-Y52 WeakPolarHBondContact O-CB 3.41Å; I49-Y52 PolarHBondContact O-N 3.34Å; I49-L53 HydrophobicContact CG2-CD1 3.93Å; I49-L53 HydrophobicContact CG2-CG 4.33Å; I49-L53 WeakPolarHBondContact O-CB 3.44Å; I49-L53 VanDerWaalsContact O-CG 3.23Å; I49-L53 WeakPolarHBondContact O-CG 3.48Å; I49-L53 PolarHBondContact O-N 2.85Å
50I67.2Low62Low78 Ų78109.2 Ų109.240%0.451%0.508SS..Hα-helixtrans-62.6-50.3179.5-69.9162.1000111.1L46 F47 Y52 L53 I54L46-I50 HydrophobicContact CD2-CD1 4.07Å; L46-I50 HydrophobicContact CG-CD1 4.41Å; L46-I50 VanDerWaalsContact O-CG1 3.3Å; L46-I50 WeakPolarHBondContact O-CG1 3.41Å; L46-I50 PolarHBondContact O-N 3.07Å; F47-I50 PolarHBondContact O-N 3.39Å; I50-Y52 VanDerWaalsContact C-N 3.26Å; I50-Y52 PolarHBondContact O-N 3.25Å; I50-L53 PolarHBondContact O-N 3.19Å; I50-I54 HydrophobicContact CG2-CD1 3.61Å; I50-I54 HydrophobicContact CG2-CG1 4.3Å; I50-I54 VanDerWaalsContact O-CG1 3.29Å; I50-I54 WeakPolarHBondContact O-CG1 3.17Å; I50-I54 PolarHBondContact O-N 2.94Å
51H64Low63.5Low79 Ų79107.3 Ų107.337%0.36650%0.496SS..Hα-helixtrans-62-36.9177.6-98.8-91.1000112.7F47 R55F47-H51 AromaticContact CD1-CD2 3.61Å; F47-H51 AromaticContact CD2-CD2 3.85Å; F47-H51 AromaticContact CE1-CD2 3.13Å; F47-H51 WeakPolarHBondContact CE1-CD2 3.41Å; F47-H51 AromaticContact CE1-CG 3.94Å; F47-H51 AromaticContact CE1-NE2 3.41Å; F47-H51 WeakPolarHBondContact CE1-NE2 3.3Å; F47-H51 AromaticContact CE2-CD2 3.4Å; F47-H51 VanDerWaalsContact CE2-CD2 3.4Å; F47-H51 WeakPolarHBondContact CE2-CD2 3.49Å; F47-H51 AromaticContact CE2-NE2 3.39Å; F47-H51 WeakPolarHBondContact CE2-NE2 3.36Å; F47-H51 AromaticContact CG-CD2 3.98Å; F47-H51 AromaticContact CZ-CD2 3.05Å; F47-H51 WeakPolarHBondContact CZ-CD2 3.45Å; F47-H51 AromaticContact CZ-CE1 3.96Å; F47-H51 AromaticContact CZ-NE2 2.89Å; F47-H51 WeakPolarHBondContact CZ-NE2 3.29Å; F47-H51 WeakPolarHBondContact O-CB 3.24Å; F47-H51 PolarHBondContact O-N 3.14Å; H51-R55 WeakPolarHBondContact O-CB 3.33Å; H51-R55 PolarHBondContact O-N 3.14Å
52Y61.7Low64.9Low100 Ų100103.3 Ų103.339%0.39248%0.483SS..Hα-helixtrans-64.5-47175.8-174.6-95.2000111K48 I49 I50 Q56 P73 W74K48-Y52 WeakPolarHBondContact O-CB 3.23Å; K48-Y52 PolarHBondContact O-N 2.82Å; I49-Y52 WeakPolarHBondContact O-CB 3.41Å; I49-Y52 PolarHBondContact O-N 3.34Å; I50-Y52 VanDerWaalsContact C-N 3.26Å; I50-Y52 PolarHBondContact O-N 3.25Å; Y52-Q56 WeakPolarHBondContact O-CB 3.5Å; Y52-Q56 WeakPolarHBondContact O-CG 3Å; Y52-Q56 PolarHBondContact O-N 3.48Å; Y52-Q56 PolarHBondContact OH-NE2 2.85Å; Y52-P73 HydrophobicContact CE1-CB 3.56Å; Y52-P73 WeakPolarHBondContact CE1-O 3.47Å; Y52-P73 PolarHBondContact OH-O 3.27Å; Y52-W74 VanDerWaalsContact OH-CA 3.28Å; Y52-W74 WeakPolarHBondContact OH-CA 3.22Å; Y52-W74 PolarHBondContact OH-N 3.22Å
53L58.1Low66.2Low58 Ų5898.1 Ų98.130%0.30446%0.46SS..Hα-helixtrans-61.8-45.2174.7-72.2175000112.5I49 I50 Q56 C57 K69I49-L53 HydrophobicContact CG2-CD1 3.93Å; I49-L53 HydrophobicContact CG2-CG 4.33Å; I49-L53 WeakPolarHBondContact O-CB 3.44Å; I49-L53 VanDerWaalsContact O-CG 3.23Å; I49-L53 WeakPolarHBondContact O-CG 3.48Å; I49-L53 PolarHBondContact O-N 2.85Å; I50-L53 PolarHBondContact O-N 3.19Å; L53-Q56 PolarHBondContact O-N 2.97Å; L53-C57 WeakPolarHBondContact O-CB 3.43Å; L53-C57 PolarHBondContact O-N 3.36Å; L53-C57 PolarHBondContact O-SG 3.34Å; L53-K69 VanDerWaalsContact CD2-CE 3.46Å
54I62.9Low67.6Low96 Ų96103.9 Ų103.949%0.49248%0.479SS..Hα-helixtrans-60.6-53.1178.9-69.4167.9000109.6I50 Q56 C57 V58I50-I54 HydrophobicContact CG2-CD1 3.61Å; I50-I54 HydrophobicContact CG2-CG1 4.3Å; I50-I54 VanDerWaalsContact O-CG1 3.29Å; I50-I54 WeakPolarHBondContact O-CG1 3.17Å; I50-I54 PolarHBondContact O-N 2.94Å; I54-Q56 PolarHBondContact O-N 3.45Å; I54-Q56 VanDerWaalsContact O-N 3.14Å; I54-C57 PolarHBondContact O-N 3.19Å; I54-C57 VanDerWaalsContact O-N 3.14Å; I54-V58 HydrophobicContact CG2-CG2 4.38Å; I54-V58 WeakPolarHBondContact O-CG2 2.99Å
55R59Low68.7Low210 Ų21099.1 Ų99.179%0.79246%0.463SS*.Hα-helixtrans-61.3-26.3-178.2-84.2-173.1173.3164.3-1.1113.8H51H51-R55 WeakPolarHBondContact O-CB 3.33Å; H51-R55 PolarHBondContact O-N 3.14Å
56Q63.7Low69.8Low30 Ų3097.7 Ų97.714%0.1446%0.456CS..Hα-helixtrans-85.6-16-178.9-72.8-177.9-28.800114.2Y52 L53 I54 P73 C77Y52-Q56 WeakPolarHBondContact O-CB 3.5Å; Y52-Q56 WeakPolarHBondContact O-CG 3Å; Y52-Q56 PolarHBondContact O-N 3.48Å; Y52-Q56 PolarHBondContact OH-NE2 2.85Å; L53-Q56 PolarHBondContact O-N 2.97Å; I54-Q56 PolarHBondContact O-N 3.45Å; I54-Q56 VanDerWaalsContact O-N 3.14Å; Q56-P73 VanDerWaalsContact CD-O 3.31Å; Q56-P73 PolarHBondContact NE2-O 2.03Å; Q56-P73 PolarHBondContact OE1-O 3.36Å; Q56-P73 VanDerWaalsContact OE1-O 3.07Å; Q56-C77 WeakPolarHBondContact O-CB 3.35Å; Q56-C77 PolarHBondContact O-N 2.85Å
57C63.2Low71.1Confident35 Ų3596.2 Ų96.224%0.23645%0.449CS..  trans-12625.9-168.2-55.70000114.5L53 I54 P59 C77L53-C57 WeakPolarHBondContact O-CB 3.43Å; L53-C57 PolarHBondContact O-N 3.36Å; L53-C57 PolarHBondContact O-SG 3.34Å; I54-C57 PolarHBondContact O-N 3.19Å; I54-C57 VanDerWaalsContact O-N 3.14Å; C57-P59 WeakPolarHBondContact O-CD 3.46Å; C57-C77 HydrophobicContact CB-CB 3.68Å; C57-C77 WeakPolarHBondContact CB-SG 3.48Å; C57-C77 WeakPolarHBondContact SG-CB 3.25Å; C57-C77 CovalentContact SG-SG 2.04Å; C57-C77 PolarHBondContact SG-SG 3.33Å
58V61.3Low72.1Confident96 Ų9695.7 Ų95.758%0.58245%0.447SS*.  trans-93.244.2169.9-1550000114.3I54I54-V58 HydrophobicContact CG2-CG2 4.38Å; I54-V58 WeakPolarHBondContact O-CG2 2.99Å
59P64.6Low72.9Confident29 Ų2994.2 Ų94.219%0.18844%0.441CS..  trans-104.9110.9147.930.1-23000108.4C57 C61 L67C57-P59 WeakPolarHBondContact O-CD 3.46Å; P59-C61 PolarHBondContact O-N 2.04Å; P59-L67 HydrophobicContact CG-CD1 4.45Å
60Y74.7Confident73.6Confident203 Ų20390.5 Ų90.580%0.79642%0.423SS*.PPolyproline II helixtrans-68.1123.4163.5-68.2-85.4000107.3
61C84.5Confident74.1Confident30 Ų3094.8 Ų94.820%0.20345%0.447CS..PPolyproline II helixtrans-72.1130.1176.8-54.10000110P59 G65 L67 C79P59-C61 PolarHBondContact O-N 2.04Å; C61-G65 WeakPolarHBondContact CB-O 2.98Å; C61-L67 WeakPolarHBondContact SG-CA 3.17Å; C61-L67 PolarHBondContact SG-N 3.48Å; C61-L67 VanDerWaalsContact SG-N 3.45Å; C61-C79 WeakPolarHBondContact CA-SG 2.97Å; C61-C79 HydrophobicContact CB-CB 3.76Å; C61-C79 WeakPolarHBondContact CB-SG 3.4Å; C61-C79 VanDerWaalsContact SG-CA 3.51Å; C61-C79 WeakPolarHBondContact SG-CB 3.01Å; C61-C79 CovalentContact SG-SG 2.03Å; C61-C79 PolarHBondContact SG-SG 3.21Å
62L85.5Confident74.6Confident92 Ų9295 Ų9548%0.48245%0.449SS..PPolyproline II helixtrans-90.4171175-61.8170.6000110.3Y64 G65 A89 E91L62-Y64 VanDerWaalsContact C-N 3.33Å; L62-Y64 PolarHBondContact O-N 2.75Å; L62-G65 PolarHBondContact O-N 3.07Å; L62-A89 WeakPolarHBondContact CB-O 3.31Å; L62-A89 PolarHBondContact N-O 3.03Å; L62-E91 HydrophobicContact CD1-CB 4.24Å
63N87.1Confident75Confident60 Ų6093.7 Ų93.732%0.32145%0.453SS..THydrogen-bonded Turntrans51.345.2168.9-59.9-46.1000114.6G65 P82 Y85 C90N63-G65 PolarHBondContact O-N 3.01Å; N63-P82 WeakPolarHBondContact O-CG 3.23Å; N63-Y85 HydrophobicContact CB-CD1 3.52Å; N63-Y85 HydrophobicContact CB-CD2 4.13Å; N63-Y85 HydrophobicContact CB-CE1 3.48Å; N63-Y85 VanDerWaalsContact CB-CE1 3.48Å; N63-Y85 HydrophobicContact CB-CE2 4.09Å; N63-Y85 HydrophobicContact CB-CG 3.83Å; N63-Y85 VanDerWaalsContact ND2-CD1 3.27Å; N63-Y85 WeakPolarHBondContact ND2-CD1 3.46Å; N63-Y85 WeakPolarHBondContact ND2-CE1 3.47Å; N63-C90 PolarHBondContact ND2-O 2.59Å
64Y84.8Confident75.5Confident232 Ų23299 Ų9991%0.9147%0.469SS*.THydrogen-bonded Turntrans62.316.8-176.6-51.8-85.5000115L62L62-Y64 VanDerWaalsContact C-N 3.33Å; L62-Y64 PolarHBondContact O-N 2.75Å
65G85.1Confident76Confident15 Ų1599.3 Ų99.316%0.15547%0.467CS..PPolyproline II helixtrans-59.4140.8172.600000111.4C61 L62 N63 I80C61-G65 WeakPolarHBondContact CB-O 2.98Å; L62-G65 PolarHBondContact O-N 3.07Å; N63-G65 PolarHBondContact O-N 3.01Å; G65-I80 CarbonylContact C-O 3.54Å; G65-I80 VanDerWaalsContact CA-O 3.25Å; G65-I80 WeakPolarHBondContact CA-O 2.98Å
66K86.8Confident76.8Confident150 Ų15097.1 Ų97.165%0.65246%0.463SS*.EExtended strand (participates in β ladder)trans-94.9122.7178.5-173.5179.3178.9-175.10109.6E68 C79 I80K66-E68 PolarHBondContact O-N 3.33Å; K66-C79 WeakPolarHBondContact O-CA 3.08Å; K66-I80 HydrophobicContact CB-CB 4.36Å; K66-I80 PolarHBondContact N-O 2.03Å; K66-I80 PolarHBondContact O-N 2.58Å
67L85.8Confident77.5Confident82 Ų8296.2 Ų96.243%0.42946%0.46SS..EExtended strand (participates in β ladder)trans-71.4119.6173.5-174.666.8000109.4P59 C61 C77P59-L67 HydrophobicContact CG-CD1 4.45Å; C61-L67 WeakPolarHBondContact SG-CA 3.17Å; C61-L67 PolarHBondContact SG-N 3.48Å; C61-L67 VanDerWaalsContact SG-N 3.45Å; L67-C77 HydrophobicContact CD1-CB 4.01Å
68E83.6Confident78.4Confident77 Ų7798 Ų9836%0.3646%0.462SS..EExtended strand (participates in β ladder)trans-108.2127.3175.4-167.6162.4-151.200110.2K66 C77 Y78 I80K66-E68 PolarHBondContact O-N 3.33Å; E68-C77 WeakPolarHBondContact O-CA 3.46Å; E68-Y78 HydrophobicContact CB-CD2 4.33Å; E68-Y78 HydrophobicContact CB-CE1 4.43Å; E68-Y78 HydrophobicContact CB-CE2 3.84Å; E68-Y78 HydrophobicContact CG-CE1 4.48Å; E68-Y78 HydrophobicContact CG-CE2 4.28Å; E68-Y78 PolarHBondContact N-O 2.9Å; E68-Y78 PolarHBondContact O-N 2.82Å; E68-Y78 WeakPolarHBondContact OE2-CE2 3.46Å; E68-Y78 PolarHBondContact OE2-OH 3.39Å; E68-I80 HydrophobicContact CB-CD1 4.13Å; E68-I80 HydrophobicContact CB-CG1 4.14Å; E68-I80 HydrophobicContact CG-CD1 4.48Å; E68-I80 WeakPolarHBondContact OE2-CD1 3.28Å; E68-I80 WeakPolarHBondContact OE2-CG1 3.23Å
69K81.6Confident79.6Confident127 Ų12794.1 Ų94.155%0.55244%0.439SS*.  trans-94.4123.5176.4-176.2-176176.6-176.10108.5L53L53-K69 VanDerWaalsContact CD2-CE 3.46Å
70P79.4Confident80.7Confident21 Ų2195.5 Ų95.514%0.13644%0.444CS..  trans-70.3150.6177.829.6-35.7000111.2M72 K75P70-M72 PolarHBondContact O-N 3.33Å; P70-K75 HydrophobicContact CB-CB 3.55Å; P70-K75 HydrophobicContact CB-CD 4.21Å; P70-K75 HydrophobicContact CG-CB 3.6Å; P70-K75 VanDerWaalsContact CG-O 3.28Å; P70-K75 WeakPolarHBondContact CG-O 3.28Å
71D77.9Confident81.3Confident169 Ų16987.2 Ų87.290%0.90442%0.416SS*.SBendtrans-66.2-29.1175.4-62.3-35.4000112.7
72M76.3Confident81.6Confident83 Ų8388.2 Ų88.241%0.40942%0.422SS..SBendtrans-99.8134.6-173.2-70.4169.3171.500111.3P70 W74 K75P70-M72 PolarHBondContact O-N 3.33Å; M72-W74 HydrophobicContact CB-CD2 4.08Å; M72-W74 HydrophobicContact CB-CE3 4.29Å; M72-W74 HydrophobicContact CB-CH2 3.92Å; M72-W74 HydrophobicContact CB-CZ2 3.72Å; M72-W74 HydrophobicContact CB-CZ3 4.2Å; M72-W74 HydrophobicContact CE-CH2 4.39Å; M72-W74 HydrophobicContact CE-CZ2 4.08Å; M72-W74 HydrophobicContact CG-CH2 3.74Å; M72-W74 HydrophobicContact CG-CZ2 3.61Å; M72-W74 HydrophobicContact CG-CZ3 4.43Å; M72-W74 PolarHBondContact O-N 2.87Å; M72-W74 HydrophobicContact SD-CH2 3.9Å; M72-W74 HydrophobicContact SD-CZ2 3.23Å; M72-W74 WeakPolarHBondContact SD-CZ2 3Å; M72-K75 HydrophobicContact CB-CD 4.36Å; M72-K75 HydrophobicContact CB-CG 4.37Å; M72-K75 PolarHBondContact O-N 3.21Å
73P69.4Low81.5Confident72 Ų7291 Ų9147%0.46844%0.437SS..THydrogen-bonded Turntrans-64.2-36.6-174.822.1-30.5000112.6Y52 Q56 K75Y52-P73 HydrophobicContact CE1-CB 3.56Å; Y52-P73 WeakPolarHBondContact CE1-O 3.47Å; Y52-P73 PolarHBondContact OH-O 3.27Å; Q56-P73 VanDerWaalsContact CD-O 3.31Å; Q56-P73 PolarHBondContact NE2-O 2.03Å; Q56-P73 PolarHBondContact OE1-O 3.36Å; Q56-P73 VanDerWaalsContact OE1-O 3.07Å; P73-K75 PolarHBondContact O-N 3.21Å
74W69Low81.5Confident170 Ų17092.3 Ų92.364%0.64444%0.444SS*.THydrogen-bonded Turntrans-71.8-7.9-17856.692.1000114.4Y52 M72Y52-W74 VanDerWaalsContact OH-CA 3.28Å; Y52-W74 WeakPolarHBondContact OH-CA 3.22Å; Y52-W74 PolarHBondContact OH-N 3.22Å; M72-W74 HydrophobicContact CB-CD2 4.08Å; M72-W74 HydrophobicContact CB-CE3 4.29Å; M72-W74 HydrophobicContact CB-CH2 3.92Å; M72-W74 HydrophobicContact CB-CZ2 3.72Å; M72-W74 HydrophobicContact CB-CZ3 4.2Å; M72-W74 HydrophobicContact CE-CH2 4.39Å; M72-W74 HydrophobicContact CE-CZ2 4.08Å; M72-W74 HydrophobicContact CG-CH2 3.74Å; M72-W74 HydrophobicContact CG-CZ2 3.61Å; M72-W74 HydrophobicContact CG-CZ3 4.43Å; M72-W74 PolarHBondContact O-N 2.87Å; M72-W74 HydrophobicContact SD-CH2 3.9Å; M72-W74 HydrophobicContact SD-CZ2 3.23Å; M72-W74 WeakPolarHBondContact SD-CZ2 3Å
75K72.5Confident81.6Confident103 Ų10384.6 Ų84.645%0.44841%0.414SS..SBendtrans-89.5141.7176-68.2-175.2178.9179.50110.1P70 M72 P73P70-K75 HydrophobicContact CB-CB 3.55Å; P70-K75 HydrophobicContact CB-CD 4.21Å; P70-K75 HydrophobicContact CG-CB 3.6Å; P70-K75 VanDerWaalsContact CG-O 3.28Å; P70-K75 WeakPolarHBondContact CG-O 3.28Å; M72-K75 HydrophobicContact CB-CD 4.36Å; M72-K75 HydrophobicContact CB-CG 4.37Å; M72-K75 PolarHBondContact O-N 3.21Å; P73-K75 PolarHBondContact O-N 3.21Å
76K75.5Confident81.7Confident164 Ų16486.7 Ų86.771%0.71342%0.418SS*.PPolyproline II helixtrans-80.9150.6173.9-62.8178.9-178.4176.10109.7
77C79.8Confident81.5Confident11 Ų1180.7 Ų80.77%0.07440%0.399CS..PPolyproline II helixtrans-61.5149.7166.6-77.10000110Q56 C57 L67 E68Q56-C77 WeakPolarHBondContact O-CB 3.35Å; Q56-C77 PolarHBondContact O-N 2.85Å; C57-C77 HydrophobicContact CB-CB 3.68Å; C57-C77 WeakPolarHBondContact CB-SG 3.48Å; C57-C77 WeakPolarHBondContact SG-CB 3.25Å; C57-C77 CovalentContact SG-SG 2.04Å; C57-C77 PolarHBondContact SG-SG 3.33Å; L67-C77 HydrophobicContact CD1-CB 4.01Å; E68-C77 WeakPolarHBondContact O-CA 3.46Å
78Y81.4Confident81.3Confident73 Ų7381.1 Ų81.129%0.28640%0.401SS..EExtended strand (participates in β ladder)trans-139.9162178.560.5-90000110.4E68 I80E68-Y78 HydrophobicContact CB-CD2 4.33Å; E68-Y78 HydrophobicContact CB-CE1 4.43Å; E68-Y78 HydrophobicContact CB-CE2 3.84Å; E68-Y78 HydrophobicContact CG-CE1 4.48Å; E68-Y78 HydrophobicContact CG-CE2 4.28Å; E68-Y78 PolarHBondContact N-O 2.9Å; E68-Y78 PolarHBondContact O-N 2.82Å; E68-Y78 WeakPolarHBondContact OE2-CE2 3.46Å; E68-Y78 PolarHBondContact OE2-OH 3.39Å; Y78-I80 HydrophobicContact CD2-CG1 4.49Å; Y78-I80 HydrophobicContact CE2-CG1 4.03Å
79C86.3Confident81.4Confident13 Ų1378.1 Ų78.19%0.08839%0.389CS..EExtended strand (participates in β ladder)trans-97.7132.4176.3-64.30000110.5C61 K66 I88C61-C79 WeakPolarHBondContact CA-SG 2.97Å; C61-C79 HydrophobicContact CB-CB 3.76Å; C61-C79 WeakPolarHBondContact CB-SG 3.4Å; C61-C79 VanDerWaalsContact SG-CA 3.51Å; C61-C79 WeakPolarHBondContact SG-CB 3.01Å; C61-C79 CovalentContact SG-SG 2.03Å; C61-C79 PolarHBondContact SG-SG 3.21Å; K66-C79 WeakPolarHBondContact O-CA 3.08Å; C79-I88 WeakPolarHBondContact CB-O 3.28Å
80I88.1Confident81.6Confident58 Ų5872 Ų7230%0.29736%0.362SS..EExtended strand (participates in β ladder)trans-88115.2165.6-52.3175.1000107.3G65 K66 E68 Y78G65-I80 CarbonylContact C-O 3.54Å; G65-I80 VanDerWaalsContact CA-O 3.25Å; G65-I80 WeakPolarHBondContact CA-O 2.98Å; K66-I80 HydrophobicContact CB-CB 4.36Å; K66-I80 PolarHBondContact N-O 2.03Å; K66-I80 PolarHBondContact O-N 2.58Å; E68-I80 HydrophobicContact CB-CD1 4.13Å; E68-I80 HydrophobicContact CB-CG1 4.14Å; E68-I80 HydrophobicContact CG-CD1 4.48Å; E68-I80 WeakPolarHBondContact OE2-CD1 3.28Å; E68-I80 WeakPolarHBondContact OE2-CG1 3.23Å; Y78-I80 HydrophobicContact CD2-CG1 4.49Å; Y78-I80 HydrophobicContact CE2-CG1 4.03Å
81C87.9Confident81.7Confident30 Ų3075.3 Ų75.320%0.20338%0.376CS..  trans-91.5144.4-178-52.10000111.7Y85 C90C81-Y85 WeakPolarHBondContact CB-O 3.27Å; C81-C90 WeakPolarHBondContact CA-SG 3.23Å; C81-C90 HydrophobicContact CB-CB 3.67Å; C81-C90 WeakPolarHBondContact CB-SG 3.18Å; C81-C90 WeakPolarHBondContact SG-CA 3.39Å; C81-C90 WeakPolarHBondContact SG-CB 3.16Å; C81-C90 CovalentContact SG-SG 2.03Å; C81-C90 PolarHBondContact SG-SG 2.9Å
82P88.9Confident82.1Confident50 Ų5071 Ų7133%0.32535%0.349SS..  trans-66.6161.3168.224.7-28.5000111.6N63 N84 Y85N63-P82 WeakPolarHBondContact O-CG 3.23Å; P82-N84 PolarHBondContact O-N 3.17Å; P82-Y85 HydrophobicContact CG-CD2 3.87Å; P82-Y85 PolarHBondContact O-N 2.94Å
83D84.3Confident82.6Confident150 Ų15070.1 Ų70.180%0.80235%0.345SS*.THydrogen-bonded Turntrans-52.1-26.7-166-64.1-27.6000116.3
84N86.7Confident83.2Confident89 Ų8973.6 Ų73.648%0.47635%0.353SS..THydrogen-bonded Turntrans-94.3-3.6-178.1-65.4-22.3000113.8P82 I93 K94P82-N84 PolarHBondContact O-N 3.17Å; N84-I93 CarbonylContact O-C 3.46Å; N84-I93 VanDerWaalsContact O-CA 3.32Å; N84-I93 WeakPolarHBondContact O-CA 3.14Å; N84-K94 PolarHBondContact O-N 3.32Å
85Y87.2Confident83.2Confident69 Ų6971 Ų7127%0.27135%0.352SS..EExtended strand (participates in β ladder)trans-123.6148.6-176-66-93.4000111.9N63 C81 P82 F92 I93N63-Y85 HydrophobicContact CB-CD1 3.52Å; N63-Y85 HydrophobicContact CB-CD2 4.13Å; N63-Y85 HydrophobicContact CB-CE1 3.48Å; N63-Y85 VanDerWaalsContact CB-CE1 3.48Å; N63-Y85 HydrophobicContact CB-CE2 4.09Å; N63-Y85 HydrophobicContact CB-CG 3.83Å; N63-Y85 VanDerWaalsContact ND2-CD1 3.27Å; N63-Y85 WeakPolarHBondContact ND2-CD1 3.46Å; N63-Y85 WeakPolarHBondContact ND2-CE1 3.47Å; C81-Y85 WeakPolarHBondContact CB-O 3.27Å; P82-Y85 HydrophobicContact CG-CD2 3.87Å; P82-Y85 PolarHBondContact O-N 2.94Å; Y85-F92 CarbonylContact C-O 3.39Å; Y85-F92 WeakPolarHBondContact CA-O 3.32Å; Y85-I93 HydrophobicContact CD1-CG1 3.76Å; Y85-I93 HydrophobicContact CE1-CD1 4.04Å; Y85-I93 HydrophobicContact CE1-CG1 3.37Å
86Y86.6Confident82.5Confident59 Ų5971.3 Ų71.323%0.23136%0.358CS..EExtended strand (participates in β ladder)trans-148.8172.6178.682.6-88.6000111.4C90 E91 F92 K94 E97 K119Y86-C90 CarbonylContact O-C 3.51Å; Y86-C90 WeakPolarHBondContact O-CA 3.06Å; Y86-E91 PolarHBondContact O-N 2.87Å; Y86-F92 HydrophobicContact CD1-CB 3.59Å; Y86-F92 HydrophobicContact CD2-CB 4.25Å; Y86-F92 HydrophobicContact CD2-CD2 4.13Å; Y86-F92 HydrophobicContact CE1-CB 3.26Å; Y86-F92 HydrophobicContact CE1-CG 4.17Å; Y86-F92 HydrophobicContact CE2-CB 3.94Å; Y86-F92 AromaticContact CE2-CD2 3.68Å; Y86-F92 HydrophobicContact CE2-CD2 3.68Å; Y86-F92 HydrophobicContact CE2-CG 4.09Å; Y86-F92 HydrophobicContact CG-CB 4.08Å; Y86-F92 VanDerWaalsContact CZ-CB 3.46Å; Y86-F92 AromaticContact CZ-CD2 3.92Å; Y86-F92 AromaticContact CZ-CG 3.85Å; Y86-F92 PolarHBondContact N-O 2.83Å; Y86-F92 PolarHBondContact O-N 2.79Å; Y86-K94 HydrophobicContact CD1-CB 4.37Å; Y86-E97 PolarHBondContact OH-OE2 3.34Å; Y86-K119 PolarHBondContact OH-NZ 3.18Å
87G83.4Confident81.5Confident25 Ų2568.2 Ų68.226%0.25835%0.347SS..SBendtrans107.6173.5-174.600000111.9A89 C90G87-A89 VanDerWaalsContact C-N 3.26Å; G87-A89 PolarHBondContact O-N 2.78Å; G87-C90 PolarHBondContact O-N 3.34Å
88I82.1Confident80Confident91 Ų9176.4 Ų76.447%0.46738%0.383SS..THydrogen-bonded Turntrans-63.5-36.7-174.3-58.9171.3000111C79C79-I88 WeakPolarHBondContact CB-O 3.28Å
89A84.2Confident78.3Confident13 Ų1379.5 Ų79.511%0.10740%0.404CS..THydrogen-bonded Turntrans-113.417.8178.500000113.3L62 G87 E91L62-A89 WeakPolarHBondContact CB-O 3.31Å; L62-A89 PolarHBondContact N-O 3.03Å; G87-A89 VanDerWaalsContact C-N 3.26Å; G87-A89 PolarHBondContact O-N 2.78Å; A89-E91 VanDerWaalsContact C-N 3.31Å; A89-E91 PolarHBondContact O-N 3.32Å
90C86.3Confident76.1Confident0 Ų084.6 Ų84.60%043%0.43CS..SBendtrans6235.2-174.9-44.90000113.8N63 C81 Y86 G87N63-C90 PolarHBondContact ND2-O 2.59Å; C81-C90 WeakPolarHBondContact CA-SG 3.23Å; C81-C90 HydrophobicContact CB-CB 3.67Å; C81-C90 WeakPolarHBondContact CB-SG 3.18Å; C81-C90 WeakPolarHBondContact SG-CA 3.39Å; C81-C90 WeakPolarHBondContact SG-CB 3.16Å; C81-C90 CovalentContact SG-SG 2.03Å; C81-C90 PolarHBondContact SG-SG 2.9Å; Y86-C90 CarbonylContact O-C 3.51Å; Y86-C90 WeakPolarHBondContact O-CA 3.06Å; G87-C90 PolarHBondContact O-N 3.34Å
91E82.5Confident74.1Confident90 Ų9089.9 Ų89.942%0.42146%0.456SS..  trans-77.8-28.8-173.363.5-147.7-166.800114.2L62 Y86 A89L62-E91 HydrophobicContact CD1-CB 4.24Å; Y86-E91 PolarHBondContact O-N 2.87Å; A89-E91 VanDerWaalsContact C-N 3.31Å; A89-E91 PolarHBondContact O-N 3.32Å
92F86.6Confident71.9Confident78 Ų7894.5 Ų94.534%0.34248%0.478SS..EExtended strand (participates in β ladder)trans-99.4146.2-174.7-56.1-64.8000111.8Y85 Y86Y85-F92 CarbonylContact C-O 3.39Å; Y85-F92 WeakPolarHBondContact CA-O 3.32Å; Y86-F92 HydrophobicContact CD1-CB 3.59Å; Y86-F92 HydrophobicContact CD2-CB 4.25Å; Y86-F92 HydrophobicContact CD2-CD2 4.13Å; Y86-F92 HydrophobicContact CE1-CB 3.26Å; Y86-F92 HydrophobicContact CE1-CG 4.17Å; Y86-F92 HydrophobicContact CE2-CB 3.94Å; Y86-F92 AromaticContact CE2-CD2 3.68Å; Y86-F92 HydrophobicContact CE2-CD2 3.68Å; Y86-F92 HydrophobicContact CE2-CG 4.09Å; Y86-F92 HydrophobicContact CG-CB 4.08Å; Y86-F92 VanDerWaalsContact CZ-CB 3.46Å; Y86-F92 AromaticContact CZ-CD2 3.92Å; Y86-F92 AromaticContact CZ-CG 3.85Å; Y86-F92 PolarHBondContact N-O 2.83Å; Y86-F92 PolarHBondContact O-N 2.79Å
93I86.8Confident69.5Low65 Ų6598 Ų9833%0.33350%0.499SS..EExtended strand (participates in β ladder)trans-96.4123.9173.4-64167.4000108.4N84 Y85 N95 N96N84-I93 CarbonylContact O-C 3.46Å; N84-I93 VanDerWaalsContact O-CA 3.32Å; N84-I93 WeakPolarHBondContact O-CA 3.14Å; Y85-I93 HydrophobicContact CD1-CG1 3.76Å; Y85-I93 HydrophobicContact CE1-CD1 4.04Å; Y85-I93 HydrophobicContact CE1-CG1 3.37Å; I93-N95 HydrophobicContact CG2-CB 4.32Å; I93-N95 PolarHBondContact O-N 2.51Å; I93-N96 PolarHBondContact O-N 2.96Å
94K80.9Confident67.3Low145 Ų14596.8 Ų96.863%0.6350%0.497SS*.G310 helixtrans-59-31.4-177.7-167.1177.7-179.9-176.60113N84 Y86N84-K94 PolarHBondContact O-N 3.32Å; Y86-K94 HydrophobicContact CD1-CB 4.37Å
95N69Low65Low114 Ų11497.8 Ų97.861%0.6151%0.507SS*.G310 helixtrans-85.8-5.3-173.5-62.4-1.8000114.6I93I93-N95 HydrophobicContact CG2-CB 4.32Å; I93-N95 PolarHBondContact O-N 2.51Å
96N58.4Low62.8Low110 Ų110100.8 Ų100.859%0.58853%0.527SS*.G310 helixtrans-11111.9-174.5-82.73.4000114.7I93I93-N96 PolarHBondContact O-N 2.96Å
97E53.5Low60.9Low100 Ų100104.9 Ų104.947%0.46755%0.553SS.*  trans-121.522.1-176.6-78-173.4-165.400116Y86Y86-E97 PolarHBondContact OH-OE2 3.34Å
98E48.2Very low59Low182 Ų182110 Ų11085%0.8557%0.574SS**  trans-94.554.9142.2-73.5-177.5-172.800108.5N100E98-N100 PolarHBondContact O-N 3.44Å
99I46.2Very low57.3Low138 Ų138111.7 Ų111.771%0.70858%0.584SS**  trans-68.894150.3-61.7172.1000103.4M101I99-M101 PolarHBondContact O-N 3.4Å
100N41.4Very low55.5Low120 Ų120119.3 Ų119.364%0.64262%0.618SS**  trans-39.2104165.2-86.2-39.2000108.2E98 D102E98-N100 PolarHBondContact O-N 3.44Å; N100-D102 HydrophobicContact CB-CB 4.28Å; N100-D102 PolarHBondContact O-N 3.43Å
101M45.9Very low53.6Low170 Ų170125.7 Ų125.784%0.83765%0.651SS**  trans-71.244.5157.2-77.2-92.6-14700108.7I99 T103I99-M101 PolarHBondContact O-N 3.4Å; M101-T103 PolarHBondContact O-N 2.85Å
102D40.3Very low51.9Low126 Ų126126 Ų12667%0.67466%0.655SS**  trans-87.275.7159.6-83.5-16.7000105.8N100N100-D102 HydrophobicContact CB-CB 4.28Å; N100-D102 PolarHBondContact O-N 3.43Å
103T38.3Very low49.9Very low123 Ų123125.5 Ų125.576%0.75566%0.661SS**SBendtrans177.5127.4143.7240000111.3M101M101-T103 PolarHBondContact O-N 2.85Å
104T39.5Very low47.8Very low125 Ų125127.5 Ų127.577%0.76767%0.673SS**  trans86.677.1156.316.10000119.7
105T37.5Very low46.1Very low111 Ų111126.2 Ų126.268%0.68167%0.671SS**  63.4107.9114.3-39.90000119.5
106N41.8Very low44.9Very low131 Ų131125.2 Ų125.270%0.70167%0.665SS**SBendtrans55.4102.5142-59.3-12.6000118.9
107N45.4Very low44Very low145 Ų145124.6 Ų124.678%0.77566%0.662SS**SBend146.24.3127.2-72.9-16.3000116.1
108N43.6Very low43.6Very low132 Ų132125.7 Ų125.771%0.70667%0.671SS**  trans-11815.5-175.4-68.6-22.7000115.7Q110 L111N108-Q110 PolarHBondContact O-N 3.3Å; N108-L111 PolarHBondContact O-N 3.2Å
109D47.2Very low43.5Very low127 Ų127121.8 Ų121.868%0.67965%0.651SS**Hα-helixtrans-63.5-11.1-173.6-63.1-35.8000115.4L111 S113D109-L111 VanDerWaalsContact C-N 3.33Å; D109-S113 PolarHBondContact O-OG 3.35Å
110Q46.5Very low43.4Very low174 Ų174117.4 Ų117.481%0.81363%0.632SS**Hα-helixtrans-71.4-26.2173-75.7-172-10.300113.3N108N108-Q110 PolarHBondContact O-N 3.3Å
111L47.1Very low43.3Very low133 Ų133118.2 Ų118.270%0.69664%0.637SS**Hα-helixtrans-77.9-35.5-178-118.7144.6000112N108 D109 N114 M115N108-L111 PolarHBondContact O-N 3.2Å; D109-L111 VanDerWaalsContact C-N 3.33Å; L111-N114 PolarHBondContact O-N 3.04Å; L111-M115 PolarHBondContact O-N 3.45Å
112L45.5Very low43.3Very low96 Ų96112.7 Ų112.750%0.50361%0.614SS.*Hα-helixtrans-74.2-34.7-177.8-14473.5000112.4N114 M115 N116L112-N114 VanDerWaalsContact C-N 3.27Å; L112-N114 PolarHBondContact O-N 3.47Å; L112-M115 PolarHBondContact O-N 3.15Å; L112-M115 VanDerWaalsContact O-N 3.15Å; L112-N116 PolarHBondContact O-N 3.19Å; L112-N116 VanDerWaalsContact O-N 3.11Å
113S44.8Very low43.5Very low68 Ų68111 Ų11148%0.47661%0.605SS.*Hα-helixtrans-60.2-38.4175.7-56.60000111.8D109 N116 N117D109-S113 PolarHBondContact O-OG 3.35Å; S113-N116 PolarHBondContact O-N 3.21Å; S113-N117 PolarHBondContact O-N 3.11Å
114N42Very low43.6Very low107 Ų107108.1 Ų108.157%0.57259%0.588SS**Hα-helixtrans-72.2-32.7176.1-82.3-20.8000113.1L111 L112 N117 L118L111-N114 PolarHBondContact O-N 3.04Å; L112-N114 VanDerWaalsContact C-N 3.27Å; L112-N114 PolarHBondContact O-N 3.47Å; N114-N117 PolarHBondContact O-N 2.94Å; N114-L118 WeakPolarHBondContact O-CG 3.49Å; N114-L118 PolarHBondContact O-N 2.82Å
115M46Very low43.8Very low119 Ų119111.9 Ų111.959%0.58659%0.59SS**Hα-helixtrans-65.8-38.3173.8-102.7175.775.900112.2L111 L112 N117 L118 K119L111-M115 PolarHBondContact O-N 3.45Å; L112-M115 PolarHBondContact O-N 3.15Å; L112-M115 VanDerWaalsContact O-N 3.15Å; M115-N117 VanDerWaalsContact C-N 3.32Å; M115-N117 PolarHBondContact O-N 3.07Å; M115-L118 PolarHBondContact O-N 3.12Å; M115-K119 WeakPolarHBondContact O-CB 3.43Å; M115-K119 PolarHBondContact O-N 2.97Å
116N44.7Very low44Very low93 Ų93110.6 Ų110.650%0.49759%0.585SS.*Hα-helixtrans-67.5-32.8177.1-71.4-21.2000112.5L112 S113 K119 S120L112-N116 PolarHBondContact O-N 3.19Å; L112-N116 VanDerWaalsContact O-N 3.11Å; S113-N116 PolarHBondContact O-N 3.21Å; N116-K119 WeakPolarHBondContact O-CB 3.41Å; N116-K119 PolarHBondContact O-N 3.23Å; N116-S120 PolarHBondContact O-N 3.29Å; N116-S120 VanDerWaalsContact O-N 3.17Å; N116-S120 PolarHBondContact O-OG 3.17Å
117N39.8Very low43.9Very low97 Ų97110.3 Ų110.352%0.51958%0.575SS.*Hα-helixtrans-72.4-30172.5-74.7-24.9000112.9S113 N114 M115 S120 N121S113-N117 PolarHBondContact O-N 3.11Å; N114-N117 PolarHBondContact O-N 2.94Å; M115-N117 VanDerWaalsContact C-N 3.32Å; M115-N117 PolarHBondContact O-N 3.07Å; N117-S120 PolarHBondContact O-OG 3.27Å; N117-N121 WeakPolarHBondContact O-CB 3.41Å; N117-N121 VanDerWaalsContact O-CG 3.29Å; N117-N121 PolarHBondContact O-N 2.94Å; N117-N121 PolarHBondContact O-ND2 3.17Å
118L44.5Very low43.4Very low123 Ų123112.2 Ų112.264%0.64457%0.572SS**Hα-helixtrans-70.6-35.8168.4-73.5159.4000111.7N114 M115 S120 N121 S122N114-L118 WeakPolarHBondContact O-CG 3.49Å; N114-L118 PolarHBondContact O-N 2.82Å; M115-L118 PolarHBondContact O-N 3.12Å; L118-S120 VanDerWaalsContact C-N 3.29Å; L118-S120 PolarHBondContact O-N 3.42Å; L118-N121 PolarHBondContact O-N 3.19Å; L118-S122 PolarHBondContact O-N 3.34Å; L118-S122 PolarHBondContact O-OG 2.83Å
119K44.8Very low42.7Very low100 Ų100116.2 Ų116.244%0.43558%0.577SS.*Hα-helixtrans-63.6-32.8178.5-161.1170.1-170.2169.70112Y86 M115 N116Y86-K119 PolarHBondContact OH-NZ 3.18Å; M115-K119 WeakPolarHBondContact O-CB 3.43Å; M115-K119 PolarHBondContact O-N 2.97Å; N116-K119 WeakPolarHBondContact O-CB 3.41Å; N116-K119 PolarHBondContact O-N 3.23Å
120S44Very low42.1Very low46 Ų46112.6 Ų112.632%0.32256%0.564SS.*Hα-helixtrans-89.5-25.7179.150.50000114.4N116 N117 L118N116-S120 PolarHBondContact O-N 3.29Å; N116-S120 VanDerWaalsContact O-N 3.17Å; N116-S120 PolarHBondContact O-OG 3.17Å; N117-S120 PolarHBondContact O-OG 3.27Å; L118-S120 VanDerWaalsContact C-N 3.29Å; L118-S120 PolarHBondContact O-N 3.42Å
121N41.1Very low41.6Very low137 Ų137109 Ų10973%0.73357%0.565SS**Hα-helixtrans-87-9.4-177.7-72.4-16.3000115N117 L118N117-N121 WeakPolarHBondContact O-CB 3.41Å; N117-N121 VanDerWaalsContact O-CG 3.29Å; N117-N121 PolarHBondContact O-N 2.94Å; N117-N121 PolarHBondContact O-ND2 3.17Å; L118-N121 PolarHBondContact O-N 3.19Å
122S46Very low40.9Very low53 Ų53107.2 Ų107.237%0.37156%0.563SS.*SBendtrans-91.9-17.9-179.658.10000114.5L118L118-S122 PolarHBondContact O-N 3.34Å; L118-S122 PolarHBondContact O-OG 2.83Å
123L44.1Very low40.2Very low91 Ų91106.8 Ų106.848%0.47657%0.568SS.*SBendtrans-88.3127.2175.8-76.6123.8000110.2Y125L123-Y125 PolarHBondContact O-N 3.11Å
124P39.2Very low39.5Very low62 Ų62109.1 Ų109.140%0.40358%0.584SS.*  trans-56.6136168.222.3-29.5000109.3S126 Y127P124-S126 PolarHBondContact O-N 3.46Å; P124-Y127 PolarHBondContact O-N 3.24Å
125Y44Very low38.7Very low205 Ų205108.3 Ų108.380%0.80459%0.587SS**G310 helixtrans-46.5-25.6-175.2-164.7-91.5000114.1L123 Y127 R128L123-Y125 PolarHBondContact O-N 3.11Å; Y125-Y127 PolarHBondContact O-N 3.14Å; Y125-R128 PolarHBondContact O-N 3.37Å
126S41Very low37.8Very low83 Ų83108 Ų10858%0.5860%0.596SS**G310 helixtrans-55.7-26.7174.537.20000114.5P124P124-S126 PolarHBondContact O-N 3.46Å
127Y40.2Very low36.8Very low126 Ų126108.8 Ų108.849%0.49462%0.616SS.*G310 helixtrans-92.1-10.7179.9-129.1-94.9000114.9P124 Y125 R129 A130P124-Y127 PolarHBondContact O-N 3.24Å; Y125-Y127 PolarHBondContact O-N 3.14Å; Y127-R129 PolarHBondContact O-N 3.29Å; Y127-R129 VanDerWaalsContact O-N 3.11Å; Y127-A130 HydrophobicContact CD1-CB 4.05Å; Y127-A130 HydrophobicContact CE1-CB 3.91Å; Y127-A130 HydrophobicContact CG-CB 4.5Å; Y127-A130 PolarHBondContact O-N 3.29Å
128R35.2Very low36Very low185 Ų185108.7 Ų108.770%0.69863%0.629SS**THydrogen-bonded Turntrans-63.8-18.2174.4-131.6-176.3-154.5-153.36.9112.4Y125Y125-R128 PolarHBondContact O-N 3.37Å
129R29.9Very low35Very low216 Ų216107.5 Ų107.582%0.81564%0.637SS**THydrogen-bonded Turntrans-88.4-17.8178.4-111.9-178.9-172.3-178.92.7115.2Y127 S133Y127-R129 PolarHBondContact O-N 3.29Å; Y127-R129 VanDerWaalsContact O-N 3.11Å; R129-S133 PolarHBondContact O-OG 2.89Å
130A34.2Very low34Very low50 Ų50107.7 Ų107.741%0.41366%0.657SS.*G310 helixtrans-81.8-23.6-176.900000112.6Y127 S132Y127-A130 HydrophobicContact CD1-CB 4.05Å; Y127-A130 HydrophobicContact CE1-CB 3.91Å; Y127-A130 HydrophobicContact CG-CB 4.5Å; Y127-A130 PolarHBondContact O-N 3.29Å; A130-S132 PolarHBondContact O-N 3.25Å
131A35.5Very low33.2Very low99 Ų99110.4 Ų110.482%0.81868%0.682SS**G310 helixtrans-73.3-6.7-176.700000114.8
132S33.5Very low32.5Very low95 Ų95108.5 Ų108.566%0.66469%0.686SS**G310 helixtrans-128.811-177.9590000115.8A130A130-S132 PolarHBondContact O-N 3.25Å
133S29.9Very low31.6Very low88 Ų88110.5 Ų110.562%0.61570%0.699SS**  trans-108.857.9-179.146.70000113.7R129 S135R129-S133 PolarHBondContact O-OG 2.89Å; S133-S135 VanDerWaalsContact C-N 3.29Å; S133-S135 PolarHBondContact O-N 2.9Å
134S29.8Very low30.8Very low116 Ų116115.6 Ų115.681%0.81172%0.718SS**  trans-83.371.1146.955.50000109.5
135S26.5Very low30.4Very low91 Ų91119.3 Ų119.364%0.63673%0.733SS**SBendtrans174.5114.1159.6480000112.1S133S133-S135 VanDerWaalsContact C-N 3.29Å; S133-S135 PolarHBondContact O-N 2.9Å
136S25.5Very low29.7Very low111 Ų111113 Ų11378%0.77672%0.723SS**  trans40.8117.5143.350.70000119.9A138S136-A138 PolarHBondContact O-N 3.36Å
137A23.2Very low29.2Very low111 Ų111116.9 Ų116.992%0.91773%0.732SS**SBendtrans-52.699.3159.700000112.2
138A23.3Very low28.7Very low95 Ų95116.3 Ų116.379%0.78574%0.737SS**  trans175.797152.100000109.4S136S136-A138 PolarHBondContact O-N 3.36Å
139A24.3Very low28.7Very low98 Ų98115 Ų11581%0.8174%0.744SS**  trans174.378.2147.600000108.9
140A24.3Very low28.6Very low103 Ų103111.1 Ų111.185%0.85174%0.74SS**SBendtrans-66.7134.3145.900000107.2
141A26.5Very low28.5Very low104 Ų104117.1 Ų117.186%0.8676%0.759SS**SBendtrans73.580.3166.600000118.4
142A25.7Very low28.4Very low97 Ų97120.5 Ų120.580%0.80276%0.764SS**  trans-179.8137.4143.100000105.7
143S28.2Very low28.3Very low94 Ų94119 Ų11966%0.65776%0.763SS**  cis-161.113610.944.30000106.4I145S143-I145 PolarHBondContact O-N 3.01Å; S143-I145 VanDerWaalsContact O-N 3.12Å
144F26.6Very low28.3Very low199 Ų199121.4 Ų121.487%0.87377%0.769SS**  trans-46.8107.5161.3-146.1-99.9000109.7A146F144-A146 HydrophobicContact CD1-CB 4.31Å; F144-A146 HydrophobicContact CE1-CB 4.2Å
145I30.9Very low28.7Very low140 Ų140122.4 Ų122.472%0.71877%0.765SS**  trans-121.286.4159-59.9-177.9000105.8S143 H147S143-I145 PolarHBondContact O-N 3.01Å; S143-I145 VanDerWaalsContact O-N 3.12Å; I145-H147 PolarHBondContact O-N 2.99Å
146A28.9Very low29.1Very low71 Ų71124.8 Ų124.859%0.58777%0.771SS**  trans-63.1106.3159.200000107.2F144F144-A146 HydrophobicContact CD1-CB 4.31Å; F144-A146 HydrophobicContact CE1-CB 4.2Å
147H31.5Very low29.8Very low165 Ų165125.5 Ų125.576%0.76477%0.766SS**  trans-108.3102.4160.9-152.1-65000107.3I145 N149I145-H147 PolarHBondContact O-N 2.99Å; H147-N149 PolarHBondContact O-N 3.36Å
148N29.8Very low30.4Very low115 Ų115127.8 Ų127.862%0.61576%0.758SS**  trans-51131.1170.3-67-34.9000109.5
149N33.8Very low31Very low156 Ų156132.6 Ų132.683%0.83476%0.764SS**  trans-15088.7137.8-90.1-26.3000105.8H147 Q151H147-N149 PolarHBondContact O-N 3.36Å; N149-Q151 PolarHBondContact O-N 3.21Å
150D29.8Very low31.9Very low135 Ų135135.9 Ų135.972%0.72276%0.764SS**  trans-59.4110.4163.9-69.2-62.3000109.1
151Q30.6Very low32.6Very low176 Ų176138.2 Ų138.282%0.82276%0.761SS**  trans169.498.4151.3-99.2156.82.900106.5N149N149-Q151 PolarHBondContact O-N 3.21Å
152D33.9Very low33.2Very low171 Ų171142.9 Ų142.991%0.91476%0.763SS**  trans172.2143.5134-88.3-27000111.4
153G30.7Very low33.8Very low64 Ų64144.5 Ų144.566%0.6676%0.762SS**  trans8879.3143.600000116.1D155G153-D155 PolarHBondContact O-N 3.29Å
154N30.9Very low34.2Very low137 Ų137153.1 Ų153.173%0.73379%0.788SS**  trans-60.884.1153171.540000110.1N156N154-N156 PolarHBondContact OD1-ND2 2.93Å
155D38.9Very low34.6Very low138 Ų138150.9 Ų150.974%0.73878%0.783SS**  trans-117.8109166.4-81.1-33.1000109.9G153 D157G153-D155 PolarHBondContact O-N 3.29Å; D155-D157 PolarHBondContact O-N 3.28Å
156N34.4Very low34.8Very low141 Ų141151.4 Ų151.475%0.75479%0.787SS**  trans-72.745.4-177.5-75.3-66.9000113.2N154 Q158N154-N156 PolarHBondContact OD1-ND2 2.93Å; N156-Q158 PolarHBondContact O-N 3.41Å
157D39.7Very low35.1Very low125 Ų125155.9 Ų155.967%0.66880%0.798SS**  trans-91.594.7179.7-82.7-39.2000112.4D155D155-D157 PolarHBondContact O-N 3.28Å
158Q35.2Very low35.3Very low160 Ų160155.4 Ų155.475%0.74880%0.8SS**  trans66.464.9135-57.8169.130.600115.1N156 M160N156-Q158 PolarHBondContact O-N 3.41Å; Q158-M160 PolarHBondContact O-N 2.98Å
159Q36.8Very low35.7Very low195 Ų195157.9 Ų157.991%0.91181%0.812SS**  trans-62.1104.3156.7-77.8-177.30.900109.2I161Q159-I161 PolarHBondContact O-N 3.31Å
160M42Very low35.8Very low167 Ų167158 Ų15882%0.82381%0.81SS**  trans-60.5121.9172.9-65.4-166.7-76.300109.4Q158 F162Q158-M160 PolarHBondContact O-N 2.98Å; M160-F162 PolarHBondContact O-N 3.12Å
161I40.9Very low36.2Very low152 Ų152159.6 Ų159.678%0.77982%0.816SS**  trans-65.2116.1176-62.5167.8000108.1Q159 V163Q159-I161 PolarHBondContact O-N 3.31Å; I161-V163 HydrophobicContact CG2-CG2 4.29Å; I161-V163 PolarHBondContact O-N 3.45Å; I161-V163 VanDerWaalsContact O-N 3.12Å
162F38.7Very low36.7Very low203 Ų203158.4 Ų158.489%0.8982%0.816SS**  trans-66107.1166.5-70.6-89.7000108.5M160 K164M160-F162 PolarHBondContact O-N 3.12Å; F162-K164 PolarHBondContact O-N 3.23Å
163V38.1Very low36.9Very low130 Ų130157.3 Ų157.379%0.78881%0.808SS**  trans-87.7102.1169.4179.40000108.1I161I161-V163 HydrophobicContact CG2-CG2 4.29Å; I161-V163 PolarHBondContact O-N 3.45Å; I161-V163 VanDerWaalsContact O-N 3.12Å
164K36.3Very low37.4Very low276 Ų276165.8 Ų165.8100%1.282%0.821SS**  trans63.60167.5-95.2179.3173.9176.20118.7F162F162-K164 PolarHBondContact O-N 3.23Å

Retrieved 164 of 164 residues in 38.5 ms (Link to these results)