A0A5K4F226_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F226, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 101 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.1Low71.9Confident208 Ų208121.8 Ų121.8100%1.02564%0.638SS**  0-42.40-106.2165.7158.100113.6L3 T4M1-L3 PolarHBondContact O-N 3.45Å; M1-T4 PolarHBondContact O-OG1 3.43Å
2N66.8Low72.9Confident142 Ų142122.1 Ų122.176%0.75963%0.634SS**Hα-helixtrans-65.5-37178.9-101.2-18.8000114.8T4 L5 L6N2-T4 PolarHBondContact O-N 3.48Å; N2-L5 PolarHBondContact O-N 3.11Å; N2-L6 PolarHBondContact O-N 2.9Å; N2-L6 VanDerWaalsContact O-N 3.11Å
3L69.8Low74Confident151 Ų151121.6 Ų121.679%0.79163%0.632SS**Hα-helixtrans-66-35.8-177.7-123.5115.9000113.2M1 N7M1-L3 PolarHBondContact O-N 3.45Å; L3-N7 WeakPolarHBondContact O-CB 3.41Å; L3-N7 PolarHBondContact O-N 3.09Å
4T74Confident75.1Confident90 Ų90121.9 Ų121.955%0.55263%0.629SS**Hα-helixtrans-70.5-39.1-179.749.20000111.7M1 N2 N7 Q8M1-T4 PolarHBondContact O-OG1 3.43Å; N2-T4 PolarHBondContact O-N 3.48Å; T4-N7 PolarHBondContact O-N 3.38Å; T4-Q8 PolarHBondContact O-N 3.04Å
5L69.7Low76Confident85 Ų85116.9 Ų116.945%0.44561%0.613SS.*Hα-helixtrans-64.7-46.2174.5-74.2170.9000111.1N2 N7 Q8 Y9N2-L5 PolarHBondContact O-N 3.11Å; L5-N7 VanDerWaalsContact C-N 3.27Å; L5-N7 PolarHBondContact O-N 3.19Å; L5-Q8 PolarHBondContact O-N 3.34Å; L5-Y9 VanDerWaalsContact O-CD2 3.24Å; L5-Y9 WeakPolarHBondContact O-CD2 3.49Å; L5-Y9 PolarHBondContact O-N 3.05Å
6L68.8Low76.9Confident122 Ų122113.2 Ų113.264%0.63960%0.604SS**Hα-helixtrans-59.6-40.2177.5-16377.3000111.5N2 S10N2-L6 PolarHBondContact O-N 2.9Å; N2-L6 VanDerWaalsContact O-N 3.11Å; L6-S10 PolarHBondContact O-N 2.96Å; L6-S10 PolarHBondContact O-OG 2.91Å; L6-S10 VanDerWaalsContact O-OG 3.11Å
7N73.7Confident77.7Confident118 Ų118111.7 Ų111.763%0.63160%0.595SS**Hα-helixtrans-69.5-36.8178-156.137.9000112.6L3 T4 L5 C11L3-N7 WeakPolarHBondContact O-CB 3.41Å; L3-N7 PolarHBondContact O-N 3.09Å; T4-N7 PolarHBondContact O-N 3.38Å; L5-N7 VanDerWaalsContact C-N 3.27Å; L5-N7 PolarHBondContact O-N 3.19Å; N7-C11 WeakPolarHBondContact O-CB 3.41Å; N7-C11 PolarHBondContact O-N 2.96Å
8Q73.5Confident78.4Confident115 Ų115110.9 Ų110.954%0.53759%0.59SS.*Hα-helixtrans-62.7-48.6172.4-88.9179.9-60.400111.8T4 L5 S10 C11 E12T4-Q8 PolarHBondContact O-N 3.04Å; L5-Q8 PolarHBondContact O-N 3.34Å; Q8-S10 VanDerWaalsContact C-N 3.32Å; Q8-S10 PolarHBondContact O-N 3.41Å; Q8-C11 WeakPolarHBondContact O-CB 3.24Å; Q8-C11 PolarHBondContact O-N 3.04Å; Q8-C11 VanDerWaalsContact O-N 3.09Å; Q8-E12 PolarHBondContact O-N 3.11Å
9Y74.6Confident79.1Confident162 Ų162111 Ų11164%0.63559%0.59SS**Hα-helixtrans-59.6-41.5177.3-83.8-70.3000112.4L5 C11 E12 L13L5-Y9 VanDerWaalsContact O-CD2 3.24Å; L5-Y9 WeakPolarHBondContact O-CD2 3.49Å; L5-Y9 PolarHBondContact O-N 3.05Å; Y9-C11 VanDerWaalsContact C-N 3.32Å; Y9-C11 PolarHBondContact O-N 2.92Å; Y9-E12 PolarHBondContact O-N 3.48Å; Y9-L13 WeakPolarHBondContact O-CB 3.45Å; Y9-L13 PolarHBondContact O-N 2.98Å
10S78.4Confident79.7Confident66 Ų66109.5 Ų109.546%0.46259%0.589SS.*Hα-helixtrans-61.6-40.3174.8-67.10000112.1L6 Q8 Q14L6-S10 PolarHBondContact O-N 2.96Å; L6-S10 PolarHBondContact O-OG 2.91Å; L6-S10 VanDerWaalsContact O-OG 3.11Å; Q8-S10 VanDerWaalsContact C-N 3.32Å; Q8-S10 PolarHBondContact O-N 3.41Å; S10-Q14 VanDerWaalsContact O-CB 3.28Å; S10-Q14 WeakPolarHBondContact O-CB 3.41Å; S10-Q14 PolarHBondContact O-N 2.97Å
11C82.1Confident80.3Confident81 Ų81109 Ų10955%0.54759%0.585SS.*Hα-helixtrans-69.4-43.3179.6-163.40000112.1N7 Q8 Y9 Q14 A15N7-C11 WeakPolarHBondContact O-CB 3.41Å; N7-C11 PolarHBondContact O-N 2.96Å; Q8-C11 WeakPolarHBondContact O-CB 3.24Å; Q8-C11 PolarHBondContact O-N 3.04Å; Q8-C11 VanDerWaalsContact O-N 3.09Å; Y9-C11 VanDerWaalsContact C-N 3.32Å; Y9-C11 PolarHBondContact O-N 2.92Å; C11-Q14 PolarHBondContact O-N 3.33Å; C11-A15 WeakPolarHBondContact O-CB 3.37Å; C11-A15 PolarHBondContact O-N 3.48Å
12E84.3Confident81.8Confident125 Ų125102.1 Ų102.158%0.58456%0.557SS**Hα-helixtrans-63.3-43.8175.8-72-176.1-176.600111.9Q8 Y9 Q14 A15 A16Q8-E12 PolarHBondContact O-N 3.11Å; Y9-E12 PolarHBondContact O-N 3.48Å; E12-Q14 VanDerWaalsContact C-N 3.34Å; E12-Q14 PolarHBondContact O-N 3.34Å; E12-A15 PolarHBondContact O-N 2.9Å; E12-A16 WeakPolarHBondContact O-CB 3.47Å; E12-A16 PolarHBondContact O-N 3.46Å
13L87.6Confident82.9Confident116 Ų116100.2 Ų100.261%0.60755%0.546SS*.Hα-helixtrans-61.8-44.3176.1-16591.4000111Y9 A15 A16 I17Y9-L13 WeakPolarHBondContact O-CB 3.45Å; Y9-L13 PolarHBondContact O-N 2.98Å; L13-A15 PolarHBondContact O-N 2.91Å; L13-A16 PolarHBondContact O-N 3.41Å; L13-I17 HydrophobicContact CD2-CD1 4.11Å; L13-I17 HydrophobicContact CG-CD1 4.12Å; L13-I17 VanDerWaalsContact O-CG1 3.26Å; L13-I17 WeakPolarHBondContact O-CG1 3.45Å; L13-I17 PolarHBondContact O-N 3.37Å
14Q88.4Confident83.8Confident126 Ų12694.6 Ų94.659%0.58953%0.525SS*.Hα-helixtrans-64.3-40.5178.6-170.6175.10.100111.7S10 C11 E12 I17 L18S10-Q14 VanDerWaalsContact O-CB 3.28Å; S10-Q14 WeakPolarHBondContact O-CB 3.41Å; S10-Q14 PolarHBondContact O-N 2.97Å; C11-Q14 PolarHBondContact O-N 3.33Å; E12-Q14 VanDerWaalsContact C-N 3.34Å; E12-Q14 PolarHBondContact O-N 3.34Å; Q14-I17 PolarHBondContact O-N 2.98Å; Q14-L18 HydrophobicContact CG-CD1 4.23Å; Q14-L18 WeakPolarHBondContact O-CB 3.28Å; Q14-L18 WeakPolarHBondContact O-CG 3.33Å; Q14-L18 PolarHBondContact O-N 3.44Å
15A89.6Confident84.5Confident47 Ų4794.6 Ų94.639%0.38852%0.524SS..Hα-helixtrans-63.8-42.2174.600000112C11 E12 L13 L18 L19C11-A15 WeakPolarHBondContact O-CB 3.37Å; C11-A15 PolarHBondContact O-N 3.48Å; E12-A15 PolarHBondContact O-N 2.9Å; L13-A15 PolarHBondContact O-N 2.91Å; A15-L18 PolarHBondContact O-N 2.95Å; A15-L19 WeakPolarHBondContact O-CB 3.26Å; A15-L19 WeakPolarHBondContact O-CG 3.47Å; A15-L19 PolarHBondContact O-N 3.3Å
16A89.6Confident85.4Confident57 Ų5798.1 Ų98.147%0.47154%0.537SS..Hα-helixtrans-63.9-42.2176.600000112.2E12 L13 L19 S20E12-A16 WeakPolarHBondContact O-CB 3.47Å; E12-A16 PolarHBondContact O-N 3.46Å; L13-A16 PolarHBondContact O-N 3.41Å; A16-L19 PolarHBondContact O-N 2.93Å; A16-S20 WeakPolarHBondContact O-CB 3.42Å; A16-S20 PolarHBondContact O-N 3.46Å
17I91Very high86.4Confident88 Ų8899.6 Ų99.645%0.45154%0.538SS..Hα-helixtrans-62.2-46.9175.5-68.5164.3000110.4L13 Q14 L19 S20 I21L13-I17 HydrophobicContact CD2-CD1 4.11Å; L13-I17 HydrophobicContact CG-CD1 4.12Å; L13-I17 VanDerWaalsContact O-CG1 3.26Å; L13-I17 WeakPolarHBondContact O-CG1 3.45Å; L13-I17 PolarHBondContact O-N 3.37Å; Q14-I17 PolarHBondContact O-N 2.98Å; I17-L19 PolarHBondContact O-N 3.49Å; I17-S20 PolarHBondContact O-N 3.29Å; I17-I21 HydrophobicContact CG2-CD1 3.71Å; I17-I21 HydrophobicContact CG2-CG1 4.39Å; I17-I21 VanDerWaalsContact O-CG1 3.29Å; I17-I21 WeakPolarHBondContact O-CG1 3.46Å; I17-I21 PolarHBondContact O-N 3.35Å
18L90.3Very high87.2Confident97 Ų9799.5 Ų99.551%0.50854%0.535SS..Hα-helixtrans-59.1-46.1177.1-83.1159.5000111.8Q14 A15 S20 I21 C22Q14-L18 HydrophobicContact CG-CD1 4.23Å; Q14-L18 WeakPolarHBondContact O-CB 3.28Å; Q14-L18 WeakPolarHBondContact O-CG 3.33Å; Q14-L18 PolarHBondContact O-N 3.44Å; A15-L18 PolarHBondContact O-N 2.95Å; L18-S20 PolarHBondContact O-N 3.01Å; L18-I21 PolarHBondContact O-N 3.41Å; L18-C22 WeakPolarHBondContact O-CB 3.2Å; L18-C22 PolarHBondContact O-N 3.33Å; L18-C22 PolarHBondContact O-SG 2.89Å; L18-C22 VanDerWaalsContact O-SG 3.35Å
19L91.6Very high87.9Confident113 Ų11395.5 Ų95.559%0.59252%0.524SS*.Hα-helixtrans-61.3-42.9176.3-76.3169.1000112A15 A16 I17 C22 L23A15-L19 WeakPolarHBondContact O-CB 3.26Å; A15-L19 WeakPolarHBondContact O-CG 3.47Å; A15-L19 PolarHBondContact O-N 3.3Å; A16-L19 PolarHBondContact O-N 2.93Å; I17-L19 PolarHBondContact O-N 3.49Å; L19-C22 PolarHBondContact O-N 2.89Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 WeakPolarHBondContact O-CG 3.44Å; L19-L23 PolarHBondContact O-N 3.38Å
20S90.5Very high88.7Confident80 Ų8090.6 Ų90.656%0.55952%0.517SS*.Hα-helixtrans-62.5-42.5176.4-177.20000112A16 I17 L18 G24A16-S20 WeakPolarHBondContact O-CB 3.42Å; A16-S20 PolarHBondContact O-N 3.46Å; I17-S20 PolarHBondContact O-N 3.29Å; L18-S20 PolarHBondContact O-N 3.01Å; S20-G24 PolarHBondContact O-N 3.29Å
21I92.8Very high89.4Confident100 Ų10091.8 Ų91.851%0.51352%0.518SS..Hα-helixtrans-65.3-45.9177.6-68.1166.5000110I17 L18 G24 T25I17-I21 HydrophobicContact CG2-CD1 3.71Å; I17-I21 HydrophobicContact CG2-CG1 4.39Å; I17-I21 VanDerWaalsContact O-CG1 3.29Å; I17-I21 WeakPolarHBondContact O-CG1 3.46Å; I17-I21 PolarHBondContact O-N 3.35Å; L18-I21 PolarHBondContact O-N 3.41Å; I21-G24 PolarHBondContact O-N 2.9Å; I21-T25 HydrophobicContact CG2-CG2 4.4Å; I21-T25 WeakPolarHBondContact O-CG2 3.38Å; I21-T25 PolarHBondContact O-N 3.25Å; I21-T25 PolarHBondContact O-OG1 3.43Å
22C90.7Very high89.8Confident63 Ų6393 Ų9343%0.42652%0.519SS..Hα-helixtrans-58.7-51.1176.6-73.50000111.4L18 L19 G24 T25 F26L18-C22 WeakPolarHBondContact O-CB 3.2Å; L18-C22 PolarHBondContact O-N 3.33Å; L18-C22 PolarHBondContact O-SG 2.89Å; L18-C22 VanDerWaalsContact O-SG 3.35Å; L19-C22 PolarHBondContact O-N 2.89Å; C22-G24 VanDerWaalsContact C-N 3.32Å; C22-G24 PolarHBondContact O-N 3.47Å; C22-T25 PolarHBondContact O-N 2.94Å; C22-T25 PolarHBondContact O-OG1 2.93Å; C22-F26 WeakPolarHBondContact O-CD2 3.39Å; C22-F26 PolarHBondContact O-N 3.37Å
23L89.8Confident90.1Very high103 Ų10392.4 Ų92.454%0.53952%0.518SS..Hα-helixtrans-59.7-45.2177.9-72.5168.5000111.3L19 T25 F26 F27L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 WeakPolarHBondContact O-CG 3.44Å; L19-L23 PolarHBondContact O-N 3.38Å; L23-T25 PolarHBondContact O-N 2.9Å; L23-F26 PolarHBondContact O-N 3.3Å; L23-F27 WeakPolarHBondContact O-CD2 3.44Å; L23-F27 PolarHBondContact O-N 3.46Å
24G88.8Confident90.3Very high33 Ų3394 Ų9434%0.3452%0.517SS..Hα-helixtrans-57.6-47.4177.500000112.8S20 I21 C22 F27 M28S20-G24 PolarHBondContact O-N 3.29Å; I21-G24 PolarHBondContact O-N 2.9Å; C22-G24 VanDerWaalsContact C-N 3.32Å; C22-G24 PolarHBondContact O-N 3.47Å; G24-F27 PolarHBondContact O-N 3.4Å; G24-M28 WeakPolarHBondContact O-CB 3.29Å; G24-M28 VanDerWaalsContact O-CG 3.26Å; G24-M28 WeakPolarHBondContact O-CG 3.2Å; G24-M28 PolarHBondContact O-N 3.02Å
25T89.5Confident90.3Very high89 Ų8992.3 Ų92.355%0.54651%0.512SS..Hα-helixtrans-67.1-37.8179.456.30000112.4I21 C22 L23 M28 G29I21-T25 HydrophobicContact CG2-CG2 4.4Å; I21-T25 WeakPolarHBondContact O-CG2 3.38Å; I21-T25 PolarHBondContact O-N 3.25Å; I21-T25 PolarHBondContact O-OG1 3.43Å; C22-T25 PolarHBondContact O-N 2.94Å; C22-T25 PolarHBondContact O-OG1 2.93Å; L23-T25 PolarHBondContact O-N 2.9Å; T25-M28 PolarHBondContact O-N 2.95Å; T25-G29 PolarHBondContact O-N 3.36Å
26F88.4Confident90.3Very high160 Ų16093.5 Ų93.570%0.70252%0.515SS*.Hα-helixtrans-60.5-47.4172.9-89.3-73.4000112.1C22 L23 G29 A30C22-F26 WeakPolarHBondContact O-CD2 3.39Å; C22-F26 PolarHBondContact O-N 3.37Å; L23-F26 PolarHBondContact O-N 3.3Å; F26-G29 PolarHBondContact O-N 2.89Å; F26-A30 PolarHBondContact O-N 3.48Å
27F90Very high90.2Very high153 Ų15393.5 Ų93.567%0.67151%0.509SS*.Hα-helixtrans-63.9-44178.1-85.6-70.3000112.3L23 G24 G29 A30 L31L23-F27 WeakPolarHBondContact O-CD2 3.44Å; L23-F27 PolarHBondContact O-N 3.46Å; G24-F27 PolarHBondContact O-N 3.4Å; F27-G29 VanDerWaalsContact C-N 3.35Å; F27-G29 PolarHBondContact O-N 3.42Å; F27-A30 PolarHBondContact O-N 3.03Å; F27-L31 WeakPolarHBondContact O-CB 3.19Å; F27-L31 PolarHBondContact O-N 3.18Å
28M89.6Confident89.7Confident116 Ų11691.6 Ų91.657%0.57150%0.499SS*.Hα-helixtrans-63.5-40.9178.4-70.1-59.1-69.400111.9G24 T25 L31 L32G24-M28 WeakPolarHBondContact O-CB 3.29Å; G24-M28 VanDerWaalsContact O-CG 3.26Å; G24-M28 WeakPolarHBondContact O-CG 3.2Å; G24-M28 PolarHBondContact O-N 3.02Å; T25-M28 PolarHBondContact O-N 2.95Å; M28-L31 PolarHBondContact O-N 3.33Å; M28-L32 WeakPolarHBondContact O-CG 3.42Å; M28-L32 PolarHBondContact O-N 3.48Å
29G88.5Confident89.1Confident30 Ų3093.7 Ų93.731%0.30950%0.501SS..Hα-helixtrans-61.3-47.9174.300000112.6T25 F26 F27 L31 L32 I33T25-G29 PolarHBondContact O-N 3.36Å; F26-G29 PolarHBondContact O-N 2.89Å; F27-G29 VanDerWaalsContact C-N 3.35Å; F27-G29 PolarHBondContact O-N 3.42Å; G29-L31 VanDerWaalsContact C-N 3.35Å; G29-L31 PolarHBondContact O-N 2.91Å; G29-L32 PolarHBondContact O-N 2.97Å; G29-I33 WeakPolarHBondContact O-CG1 3.5Å; G29-I33 PolarHBondContact O-N 3.31Å; G29-I33 VanDerWaalsContact O-N 3.07Å
30A92.2Very high88.6Confident59 Ų5994.2 Ų94.249%0.48850%0.501SS..Hα-helixtrans-62.5-40.7177.700000112.5F26 F27 I33 Y34F26-A30 PolarHBondContact O-N 3.48Å; F27-A30 PolarHBondContact O-N 3.03Å; A30-I33 PolarHBondContact O-N 3.45Å; A30-Y34 WeakPolarHBondContact O-CB 3.4Å; A30-Y34 PolarHBondContact O-N 2.97Å
31L91.4Very high87.8Confident92 Ų9299.3 Ų99.348%0.48251%0.508SS..Hα-helixtrans-62.5-43.6177.3-165.290.1000111.4F27 M28 G29 Y34 L35F27-L31 WeakPolarHBondContact O-CB 3.19Å; F27-L31 PolarHBondContact O-N 3.18Å; M28-L31 PolarHBondContact O-N 3.33Å; G29-L31 VanDerWaalsContact C-N 3.35Å; G29-L31 PolarHBondContact O-N 2.91Å; L31-Y34 PolarHBondContact O-N 2.9Å; L31-L35 HydrophobicContact CD2-CD1 4.14Å; L31-L35 HydrophobicContact CG-CD1 4.16Å; L31-L35 WeakPolarHBondContact O-CB 3.47Å; L31-L35 VanDerWaalsContact O-CG 3.32Å; L31-L35 WeakPolarHBondContact O-CG 3.26Å; L31-L35 PolarHBondContact O-N 3.45Å
32L91.1Very high86.9Confident106 Ų106103 Ų10356%0.55552%0.515SS*.Hα-helixtrans-62.5-44.1176.7-76.8168.3000111.8M28 G29 Y34 L35 T36M28-L32 WeakPolarHBondContact O-CG 3.42Å; M28-L32 PolarHBondContact O-N 3.48Å; G29-L32 PolarHBondContact O-N 2.97Å; L32-Y34 VanDerWaalsContact C-N 3.33Å; L32-Y34 PolarHBondContact O-N 3.4Å; L32-L35 PolarHBondContact O-N 3.32Å; L32-T36 WeakPolarHBondContact O-CB 3.38Å; L32-T36 VanDerWaalsContact O-CG2 3.24Å; L32-T36 WeakPolarHBondContact O-CG2 3.4Å; L32-T36 PolarHBondContact O-N 2.92Å; L32-T36 PolarHBondContact O-OG1 2.85Å
33I91.3Very high85.9Confident113 Ų113108.1 Ų108.158%0.57953%0.526SS*.Hα-helixtrans-62.4-42.6176-65.4166.5000110.4G29 A30 T36 T37G29-I33 WeakPolarHBondContact O-CG1 3.5Å; G29-I33 PolarHBondContact O-N 3.31Å; G29-I33 VanDerWaalsContact O-N 3.07Å; A30-I33 PolarHBondContact O-N 3.45Å; I33-T36 WeakPolarHBondContact CA-OG1 3.47Å; I33-T36 PolarHBondContact O-OG1 3.29Å; I33-T37 WeakPolarHBondContact O-CB 3.37Å; I33-T37 PolarHBondContact O-N 3.37Å; I33-T37 PolarHBondContact O-OG1 2.91Å
34Y91.3Very high84.7Confident149 Ų149111 Ų11158%0.58453%0.533SS*.Hα-helixtrans-62.6-48.9177.3179.4-103.2000112A30 L31 L32 T37 L38A30-Y34 WeakPolarHBondContact O-CB 3.4Å; A30-Y34 PolarHBondContact O-N 2.97Å; L31-Y34 PolarHBondContact O-N 2.9Å; L32-Y34 VanDerWaalsContact C-N 3.33Å; L32-Y34 PolarHBondContact O-N 3.4Å; Y34-T37 PolarHBondContact O-N 2.9Å; Y34-L38 HydrophobicContact CE1-CD1 3.74Å; Y34-L38 HydrophobicContact CE2-CD1 4.48Å; Y34-L38 VanDerWaalsContact O-CB 3.22Å; Y34-L38 WeakPolarHBondContact O-CB 3.41Å; Y34-L38 PolarHBondContact O-N 2.99Å
35L88.9Confident83.3Confident90 Ų90115.9 Ų115.947%0.47155%0.546SS..Hα-helixtrans-63.8-42.4179.9-73.8172.9000112.1L31 L32 L38 Y39L31-L35 HydrophobicContact CD2-CD1 4.14Å; L31-L35 HydrophobicContact CG-CD1 4.16Å; L31-L35 WeakPolarHBondContact O-CB 3.47Å; L31-L35 VanDerWaalsContact O-CG 3.32Å; L31-L35 WeakPolarHBondContact O-CG 3.26Å; L31-L35 PolarHBondContact O-N 3.45Å; L32-L35 PolarHBondContact O-N 3.32Å; L35-L38 PolarHBondContact O-N 3.44Å; L35-Y39 VanDerWaalsContact O-CB 3.27Å; L35-Y39 WeakPolarHBondContact O-CB 3.48Å; L35-Y39 PolarHBondContact O-N 2.91Å
36T88.7Confident81.8Confident73 Ų73113.3 Ų113.345%0.44854%0.536SS..Hα-helixtrans-64.9-42.9176.650.40000111.6L32 I33 L38 Y39 Q40L32-T36 WeakPolarHBondContact O-CB 3.38Å; L32-T36 VanDerWaalsContact O-CG2 3.24Å; L32-T36 WeakPolarHBondContact O-CG2 3.4Å; L32-T36 PolarHBondContact O-N 2.92Å; L32-T36 PolarHBondContact O-OG1 2.85Å; I33-T36 WeakPolarHBondContact CA-OG1 3.47Å; I33-T36 PolarHBondContact O-OG1 3.29Å; T36-L38 VanDerWaalsContact C-N 3.34Å; T36-L38 PolarHBondContact O-N 3.35Å; T36-Y39 PolarHBondContact O-N 3.34Å; T36-Q40 WeakPolarHBondContact O-CB 3.44Å; T36-Q40 WeakPolarHBondContact O-CG 3.36Å; T36-Q40 PolarHBondContact O-N 3.07Å
37T87.7Confident80.4Confident57 Ų57110.9 Ų110.935%0.3553%0.531SS..Hα-helixtrans-62.6-42.6175.1-520000111.2I33 Y34 Q40 R41I33-T37 WeakPolarHBondContact O-CB 3.37Å; I33-T37 PolarHBondContact O-N 3.37Å; I33-T37 PolarHBondContact O-OG1 2.91Å; Y34-T37 PolarHBondContact O-N 2.9Å; T37-Q40 PolarHBondContact O-N 3.45Å; T37-R41 WeakPolarHBondContact O-CG 3.26Å; T37-R41 PolarHBondContact O-N 3.32Å
38L80.9Confident78.8Confident47 Ų47108.1 Ų108.125%0.24652%0.522CS..Hα-helixtrans-67.1-40.4178.4-164.9144.2000111.3Y34 L35 T36 R41 R42Y34-L38 HydrophobicContact CE1-CD1 3.74Å; Y34-L38 HydrophobicContact CE2-CD1 4.48Å; Y34-L38 VanDerWaalsContact O-CB 3.22Å; Y34-L38 WeakPolarHBondContact O-CB 3.41Å; Y34-L38 PolarHBondContact O-N 2.99Å; L35-L38 PolarHBondContact O-N 3.44Å; T36-L38 VanDerWaalsContact C-N 3.34Å; T36-L38 PolarHBondContact O-N 3.35Å; L38-R41 PolarHBondContact O-N 3.47Å; L38-R42 HydrophobicContact CD2-CG 4.29Å; L38-R42 WeakPolarHBondContact O-CG 3.28Å; L38-R42 PolarHBondContact O-N 3.04Å
39Y78Confident77.3Confident142 Ų142106.9 Ų106.956%0.55752%0.518SS*.Hα-helixtrans-61.8-47.3172.8179.4-97.6000111.5L35 T36 R41 R42 R43L35-Y39 VanDerWaalsContact O-CB 3.27Å; L35-Y39 WeakPolarHBondContact O-CB 3.48Å; L35-Y39 PolarHBondContact O-N 2.91Å; T36-Y39 PolarHBondContact O-N 3.34Å; Y39-R41 VanDerWaalsContact C-N 3.33Å; Y39-R41 PolarHBondContact O-N 2.95Å; Y39-R42 PolarHBondContact O-N 2.89Å; Y39-R43 HydrophobicContact CE1-CG 4.45Å; Y39-R43 PolarHBondContact O-N 3.03Å
40Q79.6Confident75.9Confident123 Ų123111 Ų11158%0.57553%0.529SS*.Hα-helixtrans-59.7-42.3175.7-75.2-177.61.500112T36 T37 R43 K44T36-Q40 WeakPolarHBondContact O-CB 3.44Å; T36-Q40 WeakPolarHBondContact O-CG 3.36Å; T36-Q40 PolarHBondContact O-N 3.07Å; T37-Q40 PolarHBondContact O-N 3.45Å; Q40-R43 PolarHBondContact O-N 3.43Å; Q40-K44 WeakPolarHBondContact O-CG 3.32Å; Q40-K44 PolarHBondContact O-N 3.47Å
41R75.3Confident74.3Confident187 Ų187112.7 Ų112.771%0.70653%0.527SS*.Hα-helixtrans-62.2-44.7174.3-77.9-176.2-177.6-174.61.8111.9T37 L38 Y39 R43 K44 K45T37-R41 WeakPolarHBondContact O-CG 3.26Å; T37-R41 PolarHBondContact O-N 3.32Å; L38-R41 PolarHBondContact O-N 3.47Å; Y39-R41 VanDerWaalsContact C-N 3.33Å; Y39-R41 PolarHBondContact O-N 2.95Å; R41-R43 VanDerWaalsContact C-N 3.32Å; R41-R43 PolarHBondContact O-N 2.89Å; R41-K44 PolarHBondContact O-N 3.29Å; R41-K45 WeakPolarHBondContact O-CB 3.38Å; R41-K45 PolarHBondContact O-N 3.4Å
42R73.8Confident72.7Confident177 Ų177111.7 Ų111.767%0.66852%0.522SS*.Hα-helixtrans-64-37.2176-73-164.2-151.3-138.87.4111.9L38 Y39 K45 G46L38-R42 HydrophobicContact CD2-CG 4.29Å; L38-R42 WeakPolarHBondContact O-CG 3.28Å; L38-R42 PolarHBondContact O-N 3.04Å; Y39-R42 PolarHBondContact O-N 2.89Å; R42-K45 PolarHBondContact O-N 3.47Å; R42-G46 WeakPolarHBondContact O-CA 3.22Å; R42-G46 PolarHBondContact O-N 2.91Å
43R68.7Low71.2Confident172 Ų172111.7 Ų111.765%0.64952%0.522SS*.Hα-helixtrans-63.1-47.6175-121.8-168.6-178.9-166.80.6111.3Y39 Q40 R41 K45 G46 D47Y39-R43 HydrophobicContact CE1-CG 4.45Å; Y39-R43 PolarHBondContact O-N 3.03Å; Q40-R43 PolarHBondContact O-N 3.43Å; R41-R43 VanDerWaalsContact C-N 3.32Å; R41-R43 PolarHBondContact O-N 2.89Å; R43-K45 VanDerWaalsContact C-N 3.3Å; R43-K45 PolarHBondContact O-N 3Å; R43-G46 PolarHBondContact O-N 2.9Å; R43-D47 WeakPolarHBondContact O-CB 3.24Å; R43-D47 PolarHBondContact O-N 3.42Å
44K65.2Low69.8Low162 Ų162113.9 Ų113.970%0.70452%0.523SS*.Hα-helixtrans-61-38.8175.7-71.2-175.5178.6-173.60112.3Q40 R41 L48Q40-K44 WeakPolarHBondContact O-CG 3.32Å; Q40-K44 PolarHBondContact O-N 3.47Å; R41-K44 PolarHBondContact O-N 3.29Å; K44-L48 PolarHBondContact O-N 2.96Å
45K59.6Low68.3Low137 Ų137112 Ų11260%0.59652%0.518SS*.Hα-helixtrans-73.9-39.4177.8-165.1170.8-178.3-179.50112.4R41 R42 R43 L48 D49R41-K45 WeakPolarHBondContact O-CB 3.38Å; R41-K45 PolarHBondContact O-N 3.4Å; R42-K45 PolarHBondContact O-N 3.47Å; R43-K45 VanDerWaalsContact C-N 3.3Å; R43-K45 PolarHBondContact O-N 3Å; K45-L48 PolarHBondContact O-N 2.66Å; K45-D49 WeakPolarHBondContact O-CB 3.36Å; K45-D49 PolarHBondContact O-N 2.96Å
46G57.8Low66.7Low34 Ų34112.3 Ų112.335%0.35152%0.52SS..Hα-helixtrans-64.7-39176.200000112.4R42 R43 D49 E50R42-G46 WeakPolarHBondContact O-CA 3.22Å; R42-G46 PolarHBondContact O-N 2.91Å; R43-G46 PolarHBondContact O-N 2.9Å; G46-D49 PolarHBondContact O-N 3.47Å; G46-E50 WeakPolarHBondContact O-CB 3.32Å; G46-E50 PolarHBondContact O-N 2.79Å
47D58.6Low65Low109 Ų109113.3 Ų113.358%0.58352%0.522SS*.Hα-helixtrans-64.8-42.2173.6-165.644.4000111.4R43 E50 E51R43-D47 WeakPolarHBondContact O-CB 3.24Å; R43-D47 PolarHBondContact O-N 3.42Å; D47-E50 PolarHBondContact O-N 2.87Å; D47-E51 PolarHBondContact O-N 2.85Å
48L56.7Low63.5Low95 Ų95120.8 Ų120.850%0.49754%0.544SS..Hα-helixtrans-64.2-41.4173.7-170.371.3000112.2K44 K45 N52K44-L48 PolarHBondContact O-N 2.96Å; K45-L48 PolarHBondContact O-N 2.66Å; L48-N52 WeakPolarHBondContact O-CB 3.41Å; L48-N52 VanDerWaalsContact O-CG 3.26Å; L48-N52 PolarHBondContact O-N 3.36Å; L48-N52 PolarHBondContact O-ND2 2.87Å
49D58.2Low62.4Low91 Ų91127.8 Ų127.849%0.48757%0.572SS.*Hα-helixtrans-67.4-36.6176.6-77.3-24.7000111.1K45 G46 L53K45-D49 WeakPolarHBondContact O-CB 3.36Å; K45-D49 PolarHBondContact O-N 2.96Å; G46-D49 PolarHBondContact O-N 3.47Å; D49-L53 WeakPolarHBondContact O-CB 3.38Å; D49-L53 PolarHBondContact O-N 3.29Å
50E58.2Low61.1Low115 Ų115125.4 Ų125.454%0.53757%0.565SS.*Hα-helixtrans-69.9-41.5176.8-164.7175.1168.700111.6G46 D47 L53 R54G46-E50 WeakPolarHBondContact O-CB 3.32Å; G46-E50 PolarHBondContact O-N 2.79Å; D47-E50 PolarHBondContact O-N 2.87Å; E50-L53 PolarHBondContact O-N 3.31Å; E50-R54 WeakPolarHBondContact O-CB 3.44Å; E50-R54 PolarHBondContact O-N 2.89Å
51E59.3Low59.8Low96 Ų96124.1 Ų124.145%0.44956%0.562SS.*Hα-helixtrans-68.1-41.4175.3-160.9-175.4156.300111.7D47 R54 K55D47-E51 PolarHBondContact O-N 2.85Å; E51-R54 PolarHBondContact O-N 3.19Å; E51-K55 WeakPolarHBondContact O-CG 3.5Å; E51-K55 PolarHBondContact O-N 3.36Å; E51-K55 VanDerWaalsContact OE1-CE 3.27Å; E51-K55 WeakPolarHBondContact OE1-CE 3.44Å; E51-K55 IonicContact OE1-NZ 2.75Å; E51-K55 PolarHBondContact OE1-NZ 2.92Å
52N58.7Low58.9Low71 Ų71120 Ų12038%0.3856%0.562SS.*Hα-helixtrans-64.9-39.7174-80-26.3000111.8L48 R54 K55 L56L48-N52 WeakPolarHBondContact O-CB 3.41Å; L48-N52 VanDerWaalsContact O-CG 3.26Å; L48-N52 PolarHBondContact O-N 3.36Å; L48-N52 PolarHBondContact O-ND2 2.87Å; N52-R54 VanDerWaalsContact C-N 3.33Å; N52-K55 PolarHBondContact O-N 3.02Å; N52-L56 WeakPolarHBondContact O-CB 3.42Å; N52-L56 PolarHBondContact O-N 3.21Å
53L59.6Low58.1Low106 Ų106118.5 Ų118.556%0.55557%0.566SS**Hα-helixtrans-64.2-40.4174.7-167.873.4000110.7D49 E50 L56 L57D49-L53 WeakPolarHBondContact O-CB 3.38Å; D49-L53 PolarHBondContact O-N 3.29Å; E50-L53 PolarHBondContact O-N 3.31Å; L53-L56 PolarHBondContact O-N 3.15Å; L53-L57 HydrophobicContact CG-CD1 4.12Å; L53-L57 WeakPolarHBondContact O-CB 3.29Å; L53-L57 PolarHBondContact O-N 2.92Å
54R60.7Low57.3Low158 Ų158115.9 Ų115.960%0.59656%0.557SS**Hα-helixtrans-65.1-39.1176-164.2-179.6-72.3-168.1-0.2111.8E50 E51 N52 R58E50-R54 WeakPolarHBondContact O-CB 3.44Å; E50-R54 PolarHBondContact O-N 2.89Å; E51-R54 PolarHBondContact O-N 3.19Å; N52-R54 VanDerWaalsContact C-N 3.33Å; R54-R58 PolarHBondContact O-N 3.4Å
55K60.2Low56.7Low109 Ų109113.2 Ų113.247%0.47455%0.55SS..Hα-helixtrans-66.8-44.2173.1-74.3173.7-173.5159.50111.6E51 N52 L57 R58 F59E51-K55 WeakPolarHBondContact O-CG 3.5Å; E51-K55 PolarHBondContact O-N 3.36Å; E51-K55 VanDerWaalsContact OE1-CE 3.27Å; E51-K55 WeakPolarHBondContact OE1-CE 3.44Å; E51-K55 IonicContact OE1-NZ 2.75Å; E51-K55 PolarHBondContact OE1-NZ 2.92Å; N52-K55 PolarHBondContact O-N 3.02Å; K55-L57 VanDerWaalsContact C-N 3.35Å; K55-L57 PolarHBondContact O-N 3.41Å; K55-R58 PolarHBondContact O-N 2.86Å; K55-F59 WeakPolarHBondContact O-CD2 3.49Å; K55-F59 PolarHBondContact O-N 3.34Å
56L55.2Low56.4Low98 Ų98113.8 Ų113.851%0.51356%0.558SS.*Hα-helixtrans-61.2-41.4174-101.8147.8000112N52 L53 R58 F59 K60N52-L56 WeakPolarHBondContact O-CB 3.42Å; N52-L56 PolarHBondContact O-N 3.21Å; L53-L56 PolarHBondContact O-N 3.15Å; L56-R58 VanDerWaalsContact C-N 3.33Å; L56-R58 PolarHBondContact O-N 2.89Å; L56-F59 PolarHBondContact O-N 3.19Å; L56-K60 HydrophobicContact CD2-CD 4.32Å; L56-K60 WeakPolarHBondContact O-CB 3.36Å; L56-K60 PolarHBondContact O-N 3.38Å
57L52.3Low56.2Low94 Ų94119.3 Ų119.349%0.49257%0.573SS.*Hα-helixtrans-59.8-44176.7-116.7100.6000110.9L53 K55 F59 K60 N61L53-L57 HydrophobicContact CG-CD1 4.12Å; L53-L57 WeakPolarHBondContact O-CB 3.29Å; L53-L57 PolarHBondContact O-N 2.92Å; K55-L57 VanDerWaalsContact C-N 3.35Å; K55-L57 PolarHBondContact O-N 3.41Å; L57-F59 VanDerWaalsContact C-N 3.33Å; L57-F59 PolarHBondContact O-N 2.78Å; L57-K60 PolarHBondContact O-N 3.47Å; L57-N61 WeakPolarHBondContact O-CB 3.27Å; L57-N61 PolarHBondContact O-N 3.35Å
58R58Low55.8Low213 Ų213121 Ų12180%0.80457%0.572SS**Hα-helixtrans-62.5-38.6177-74.6-171.2-174.7-1531.9112.8R54 K55 L56R54-R58 PolarHBondContact O-N 3.4Å; K55-R58 PolarHBondContact O-N 2.86Å; L56-R58 VanDerWaalsContact C-N 3.33Å; L56-R58 PolarHBondContact O-N 2.89Å
59F57.1Low55.5Low194 Ų194119.7 Ų119.785%0.85157%0.574SS**Hα-helixtrans-81.6-18.2-177.3-87-74.7000114.7K55 L56 L57K55-F59 WeakPolarHBondContact O-CD2 3.49Å; K55-F59 PolarHBondContact O-N 3.34Å; L56-F59 PolarHBondContact O-N 3.19Å; L57-F59 VanDerWaalsContact C-N 3.33Å; L57-F59 PolarHBondContact O-N 2.78Å
60K51.4Low55.1Low93 Ų93123.4 Ų123.440%0.40459%0.586SS.*Hα-helixtrans-118.312.5-170.9-119.8175.3177.1-172.80115L56 L57 S62 W64L56-K60 HydrophobicContact CD2-CD 4.32Å; L56-K60 WeakPolarHBondContact O-CB 3.36Å; L56-K60 PolarHBondContact O-N 3.38Å; L57-K60 PolarHBondContact O-N 3.47Å; K60-S62 VanDerWaalsContact C-N 3.35Å; K60-S62 PolarHBondContact O-N 3.27Å; K60-W64 HydrophobicContact CD-CB 4.31Å; K60-W64 HydrophobicContact CD-CD2 4.35Å; K60-W64 HydrophobicContact CD-CE3 4.49Å; K60-W64 HydrophobicContact CD-CG 4.24Å; K60-W64 HydrophobicContact CG-CB 4.34Å
61N52Low55Low96 Ų96120.5 Ų120.551%0.51358%0.582SS.*THydrogen-bonded Turntrans-79.433.3-162.1-139.622.4000118.7L57 L65L57-N61 WeakPolarHBondContact O-CB 3.27Å; L57-N61 PolarHBondContact O-N 3.35Å; N61-L65 WeakPolarHBondContact OD1-CD1 3.42Å
62S55.9Low54.6Low99 Ų99120.3 Ų120.369%0.69259%0.587SS**THydrogen-bonded Turntrans-134.4-49.3160.467.70000113.3K60K60-S62 VanDerWaalsContact C-N 3.35Å; K60-S62 PolarHBondContact O-N 3.27Å
63L56.8Low54.1Low146 Ų146122.7 Ų122.776%0.76460%0.6SS**THydrogen-bonded Turntrans-85.6-25.4-171.4-112.191.6000115.7
64W51.9Low53.7Low118 Ų118120.6 Ų120.645%0.44760%0.598SS.*SBendtrans-93.7-23.8-169.4-109.359.9000115.4K60 L66 K67 Y68K60-W64 HydrophobicContact CD-CB 4.31Å; K60-W64 HydrophobicContact CD-CD2 4.35Å; K60-W64 HydrophobicContact CD-CE3 4.49Å; K60-W64 HydrophobicContact CD-CG 4.24Å; K60-W64 HydrophobicContact CG-CB 4.34Å; W64-L66 PolarHBondContact O-N 3.03Å; W64-K67 PolarHBondContact O-N 3.12Å; W64-Y68 AromaticContact CE3-CD2 3.76Å; W64-Y68 HydrophobicContact CE3-CD2 3.76Å; W64-Y68 AromaticContact CE3-CE2 3.87Å; W64-Y68 HydrophobicContact CE3-CE2 3.87Å; W64-Y68 HydrophobicContact CH2-CE2 4.36Å; W64-Y68 AromaticContact CZ3-CD2 3.83Å; W64-Y68 HydrophobicContact CZ3-CD2 3.83Å; W64-Y68 AromaticContact CZ3-CE2 3.44Å; W64-Y68 HydrophobicContact CZ3-CE2 3.44Å; W64-Y68 VanDerWaalsContact CZ3-CE2 3.44Å; W64-Y68 PolarHBondContact O-N 3.43Å; W64-Y68 VanDerWaalsContact O-N 3.07Å
65L52.2Low53.3Low106 Ų106114.8 Ų114.856%0.55559%0.587SS**Hα-helixtrans-56.7-39.6175.4-94.9164.5000111.8N61 K67 Y68 A69N61-L65 WeakPolarHBondContact OD1-CD1 3.42Å; L65-K67 VanDerWaalsContact C-N 3.28Å; L65-K67 PolarHBondContact O-N 3.17Å; L65-Y68 PolarHBondContact O-N 3.32Å; L65-A69 WeakPolarHBondContact O-CB 3.46Å; L65-A69 PolarHBondContact O-N 2.92Å
66L53.9Low52.8Low149 Ų149117.2 Ų117.278%0.7860%0.597SS**Hα-helixtrans-63.2-36.1178.3-140.485.3000112.2W64 K70W64-L66 PolarHBondContact O-N 3.03Å; L66-K70 PolarHBondContact O-N 3.34Å
67K52.9Low52.7Low150 Ų150117.5 Ų117.565%0.65260%0.599SS**Hα-helixtrans-77.4-38.7-177.4-145.5175.3-173.4-179.20111.6W64 L65 A71W64-K67 PolarHBondContact O-N 3.12Å; L65-K67 VanDerWaalsContact C-N 3.28Å; L65-K67 PolarHBondContact O-N 3.17Å; K67-A71 PolarHBondContact O-N 3.3Å; K67-A71 VanDerWaalsContact O-N 3.09Å
68Y50Low52.9Low145 Ų145115.7 Ų115.757%0.56960%0.598SS**Hα-helixtrans-72.9-40.3177.4-111.5-92.8000112.6W64 L65 K70 A71 T72W64-Y68 AromaticContact CE3-CD2 3.76Å; W64-Y68 HydrophobicContact CE3-CD2 3.76Å; W64-Y68 AromaticContact CE3-CE2 3.87Å; W64-Y68 HydrophobicContact CE3-CE2 3.87Å; W64-Y68 HydrophobicContact CH2-CE2 4.36Å; W64-Y68 AromaticContact CZ3-CD2 3.83Å; W64-Y68 HydrophobicContact CZ3-CD2 3.83Å; W64-Y68 AromaticContact CZ3-CE2 3.44Å; W64-Y68 HydrophobicContact CZ3-CE2 3.44Å; W64-Y68 VanDerWaalsContact CZ3-CE2 3.44Å; W64-Y68 PolarHBondContact O-N 3.43Å; W64-Y68 VanDerWaalsContact O-N 3.07Å; L65-Y68 PolarHBondContact O-N 3.32Å; Y68-K70 PolarHBondContact O-N 2.73Å; Y68-A71 CarbonylContact O-C 3.57Å; Y68-A71 PolarHBondContact O-N 2.82Å; Y68-T72 PolarHBondContact O-N 2.92Å; Y68-T72 PolarHBondContact O-OG1 3.36Å
69A52Low52.7Low66 Ų66112 Ų11255%0.54559%0.588SS.*Hα-helixtrans-56.2-39.7174.600000111.6L65 L73L65-A69 WeakPolarHBondContact O-CB 3.46Å; L65-A69 PolarHBondContact O-N 2.92Å; A69-L73 WeakPolarHBondContact O-CB 3.42Å; A69-L73 PolarHBondContact O-N 2.98Å; A69-L73 VanDerWaalsContact O-N 3.11Å
70K49.7Very low52.5Low169 Ų169104.8 Ų104.874%0.73557%0.568SS**Hα-helixtrans-67.8-38174.9-151.8174.1-173.7178.70112.5L66 Y68 A74L66-K70 PolarHBondContact O-N 3.34Å; Y68-K70 PolarHBondContact O-N 2.73Å; K70-A74 PolarHBondContact O-N 3.48Å; K70-A74 VanDerWaalsContact O-N 3.08Å
71A54.5Low52.7Low54 Ų54108.2 Ų108.245%0.44658%0.578SS.*Hα-helixtrans-71.4-39.9177.500000113K67 Y68 L73 A74 G75K67-A71 PolarHBondContact O-N 3.3Å; K67-A71 VanDerWaalsContact O-N 3.09Å; Y68-A71 CarbonylContact O-C 3.57Å; Y68-A71 PolarHBondContact O-N 2.82Å; A71-L73 VanDerWaalsContact C-N 3.34Å; A71-A74 PolarHBondContact O-N 3.4Å; A71-G75 PolarHBondContact O-N 3.36Å
72T51.4Low52.8Low92 Ų92108.4 Ų108.456%0.56458%0.579SS**Hα-helixtrans-68.4-35.5177-40.10000111Y68 G75 K76Y68-T72 PolarHBondContact O-N 2.92Å; Y68-T72 PolarHBondContact O-OG1 3.36Å; T72-G75 PolarHBondContact O-N 3.32Å; T72-K76 WeakPolarHBondContact O-CB 3.46Å; T72-K76 PolarHBondContact O-N 3.23Å
73L48.6Very low52.7Low122 Ų122108.2 Ų108.264%0.63957%0.57SS**Hα-helixtrans-66.4-39172.6-159.474.1000111.6A69 A71A69-L73 WeakPolarHBondContact O-CB 3.42Å; A69-L73 PolarHBondContact O-N 2.98Å; A69-L73 VanDerWaalsContact O-N 3.11Å; A71-L73 VanDerWaalsContact C-N 3.34Å
74A51.3Low52.6Low62 Ų62110 Ų11051%0.51257%0.566SS.*Hα-helixtrans-66.8-39.4173.300000112.6K70 A71 N77 A78K70-A74 PolarHBondContact O-N 3.48Å; K70-A74 VanDerWaalsContact O-N 3.08Å; A71-A74 PolarHBondContact O-N 3.4Å; A74-N77 PolarHBondContact O-N 2.82Å; A74-A78 PolarHBondContact O-N 3.29Å
75G51.1Low52.7Low36 Ų36110.5 Ų110.537%0.37157%0.572SS.*Hα-helixtrans-67-34.1177.300000113.3A71 T72 N77 A78 F79A71-G75 PolarHBondContact O-N 3.36Å; T72-G75 PolarHBondContact O-N 3.32Å; G75-N77 VanDerWaalsContact C-N 3.26Å; G75-N77 PolarHBondContact O-N 2.82Å; G75-A78 WeakPolarHBondContact O-CB 3.43Å; G75-A78 PolarHBondContact O-N 3.36Å; G75-F79 PolarHBondContact O-N 3.08Å
76K50.2Low52.9Low160 Ų160111.1 Ų111.170%0.69657%0.572SS**Hα-helixtrans-64.7-32175.6-158.3168.1169.2179.80111.9T72 G80T72-K76 WeakPolarHBondContact O-CB 3.46Å; T72-K76 PolarHBondContact O-N 3.23Å; K76-G80 PolarHBondContact O-N 3.28Å; K76-G80 VanDerWaalsContact O-N 3.12Å
77N54.4Low53Low103 Ų103110.4 Ų110.455%0.55157%0.566SS**Hα-helixtrans-74.4-25.2172-65.6-5000113.2A74 G75 R81A74-N77 PolarHBondContact O-N 2.82Å; G75-N77 VanDerWaalsContact C-N 3.26Å; G75-N77 PolarHBondContact O-N 2.82Å; N77-R81 PolarHBondContact O-N 3.25Å
78A55.1Low53.2Low56 Ų56108.3 Ų108.346%0.46356%0.559SS.*Hα-helixtrans-76.2-41.3173.400000111.2A74 G75 R81 L82A74-A78 PolarHBondContact O-N 3.29Å; G75-A78 WeakPolarHBondContact O-CB 3.43Å; G75-A78 PolarHBondContact O-N 3.36Å; A78-R81 PolarHBondContact O-N 3.37Å; A78-L82 PolarHBondContact O-N 2.89Å
79F53.8Low53.6Low136 Ų136104.8 Ų104.860%0.59655%0.553SS**Hα-helixtrans-64.9-40.8177.2-144.2-87000111.8G75 R81 L82 L83G75-F79 PolarHBondContact O-N 3.08Å; F79-R81 VanDerWaalsContact C-N 3.3Å; F79-R81 PolarHBondContact O-N 2.96Å; F79-L82 PolarHBondContact O-N 3.32Å; F79-L83 HydrophobicContact CD1-CD1 3.88Å; F79-L83 HydrophobicContact CD1-CG 4.19Å; F79-L83 HydrophobicContact CE1-CD1 4.13Å; F79-L83 HydrophobicContact CE1-CG 4.32Å; F79-L83 WeakPolarHBondContact O-CG 3.49Å; F79-L83 PolarHBondContact O-N 2.81Å
80G53.8Low53.9Low42 Ų42103.9 Ų103.943%0.43355%0.545SS..Hα-helixtrans-63.2-34.6172.900000113.2K76 R84K76-G80 PolarHBondContact O-N 3.28Å; K76-G80 VanDerWaalsContact O-N 3.12Å; G80-R84 WeakPolarHBondContact O-CB 3.47Å; G80-R84 PolarHBondContact O-N 3.09Å; G80-R84 VanDerWaalsContact O-N 3.15Å
81R54.7Low54.3Low165 Ų165101.1 Ų101.162%0.62354%0.537SS*.Hα-helixtrans-70.4-41.9173.6-96.1-174.1-85.1-168.8-6.4112.4N77 A78 F79 R84 F85N77-R81 PolarHBondContact O-N 3.25Å; A78-R81 PolarHBondContact O-N 3.37Å; F79-R81 VanDerWaalsContact C-N 3.3Å; F79-R81 PolarHBondContact O-N 2.96Å; R81-R84 PolarHBondContact O-N 3.35Å; R81-F85 VanDerWaalsContact O-CD2 3.29Å; R81-F85 WeakPolarHBondContact O-CD2 3.21Å; R81-F85 PolarHBondContact O-N 2.99Å
82L54.7Low54.5Low100 Ų100104.3 Ų104.352%0.52455%0.546SS..Hα-helixtrans-61.2-46.6177.8-162.288.5000111.1A78 F79 R84 F85 E86A78-L82 PolarHBondContact O-N 2.89Å; F79-L82 PolarHBondContact O-N 3.32Å; L82-R84 VanDerWaalsContact C-N 3.27Å; L82-R84 PolarHBondContact O-N 2.91Å; L82-F85 PolarHBondContact O-N 2.92Å; L82-E86 PolarHBondContact O-N 2.8Å
83L53.4Low54.8Low95 Ų95104.8 Ų104.850%0.49754%0.544SS..Hα-helixtrans-62.1-35.7176.3-72.2172000112.2F79 M87F79-L83 HydrophobicContact CD1-CD1 3.88Å; F79-L83 HydrophobicContact CD1-CG 4.19Å; F79-L83 HydrophobicContact CE1-CD1 4.13Å; F79-L83 HydrophobicContact CE1-CG 4.32Å; F79-L83 WeakPolarHBondContact O-CG 3.49Å; F79-L83 PolarHBondContact O-N 2.81Å; L83-M87 WeakPolarHBondContact O-CB 3.15Å; L83-M87 PolarHBondContact O-N 3.46Å
84R55.1Low55.2Low183 Ų183104 Ų10469%0.69154%0.54SS*.Hα-helixtrans-68.6-39.9176.1-154.6177.4-163.8-1393.2112G80 R81 L82 M87 E88G80-R84 WeakPolarHBondContact O-CB 3.47Å; G80-R84 PolarHBondContact O-N 3.09Å; G80-R84 VanDerWaalsContact O-N 3.15Å; R81-R84 PolarHBondContact O-N 3.35Å; L82-R84 VanDerWaalsContact C-N 3.27Å; L82-R84 PolarHBondContact O-N 2.91Å; R84-M87 PolarHBondContact O-N 3.23Å; R84-E88 PolarHBondContact O-N 2.91Å
85F54.2Low55.4Low130 Ų130108.7 Ų108.757%0.5755%0.551SS**Hα-helixtrans-65.1-45.7173.8-88.8-70.2000111.9R81 L82 M87 E88 T89R81-F85 VanDerWaalsContact O-CD2 3.29Å; R81-F85 WeakPolarHBondContact O-CD2 3.21Å; R81-F85 PolarHBondContact O-N 2.99Å; L82-F85 PolarHBondContact O-N 2.92Å; F85-M87 VanDerWaalsContact C-N 3.3Å; F85-M87 PolarHBondContact O-N 3.45Å; F85-E88 PolarHBondContact O-N 2.79Å; F85-T89 WeakPolarHBondContact O-CG2 3.44Å; F85-T89 PolarHBondContact O-N 2.75Å; F85-T89 PolarHBondContact O-OG1 3.44Å
86E56.9Low55.7Low118 Ų118114 Ų11455%0.55157%0.57SS**Hα-helixtrans-60.2-42.2176.7-79.5-169.315900111.2L82 T89 A90L82-E86 PolarHBondContact O-N 2.8Å; E86-T89 WeakPolarHBondContact CA-OG1 3.27Å; E86-T89 PolarHBondContact O-N 3.28Å; E86-T89 PolarHBondContact O-OG1 3.23Å; E86-A90 VanDerWaalsContact O-CB 3.28Å; E86-A90 WeakPolarHBondContact O-CB 3.37Å; E86-A90 PolarHBondContact O-N 3.03Å
87M55.9Low55.7Low135 Ų135115.3 Ų115.367%0.66557%0.572SS**Hα-helixtrans-64.9-44.6175.8-110.7-159.2164.900113.2L83 R84 F85 T89 A90 I91L83-M87 WeakPolarHBondContact O-CB 3.15Å; L83-M87 PolarHBondContact O-N 3.46Å; R84-M87 PolarHBondContact O-N 3.23Å; F85-M87 VanDerWaalsContact C-N 3.3Å; F85-M87 PolarHBondContact O-N 3.45Å; M87-T89 VanDerWaalsContact C-N 3.33Å; M87-T89 PolarHBondContact O-N 2.9Å; M87-A90 PolarHBondContact O-N 3.35Å; M87-I91 VanDerWaalsContact O-CG1 3.26Å; M87-I91 WeakPolarHBondContact O-CG1 3.33Å; M87-I91 PolarHBondContact O-N 3.32Å
88E56.4Low55.2Low106 Ų106112.9 Ų112.950%0.49557%0.572SS.*Hα-helixtrans-62.2-41.6176.6-90-179.6163.600111.6R84 F85 I91 L92R84-E88 PolarHBondContact O-N 2.91Å; F85-E88 PolarHBondContact O-N 2.79Å; E88-I91 PolarHBondContact O-N 3.11Å; E88-L92 WeakPolarHBondContact O-CB 3.35Å; E88-L92 PolarHBondContact O-N 2.88Å
89T59.4Low54.6Low71 Ų71118.9 Ų118.944%0.43658%0.584SS.*Hα-helixtrans-67.4-37.817655.90000112.4F85 E86 M87 L92 I93F85-T89 WeakPolarHBondContact O-CG2 3.44Å; F85-T89 PolarHBondContact O-N 2.75Å; F85-T89 PolarHBondContact O-OG1 3.44Å; E86-T89 WeakPolarHBondContact CA-OG1 3.27Å; E86-T89 PolarHBondContact O-N 3.28Å; E86-T89 PolarHBondContact O-OG1 3.23Å; M87-T89 VanDerWaalsContact C-N 3.33Å; M87-T89 PolarHBondContact O-N 2.9Å; T89-L92 PolarHBondContact O-N 2.78Å; T89-I93 WeakPolarHBondContact O-CB 3.42Å; T89-I93 WeakPolarHBondContact O-CD1 3.4Å; T89-I93 WeakPolarHBondContact O-CG1 3.34Å; T89-I93 PolarHBondContact O-N 3.48Å
90A57.5Low53.9Low46 Ų46120.1 Ų120.138%0.3860%0.597SS.*Hα-helixtrans-67.4-38.7176.900000112E86 M87 I93 L94E86-A90 VanDerWaalsContact O-CB 3.28Å; E86-A90 WeakPolarHBondContact O-CB 3.37Å; E86-A90 PolarHBondContact O-N 3.03Å; M87-A90 PolarHBondContact O-N 3.35Å; A90-I93 PolarHBondContact O-N 3.06Å; A90-L94 WeakPolarHBondContact O-CB 3.4Å; A90-L94 PolarHBondContact O-N 2.82Å
91I58.8Low53.3Low111 Ų111131.8 Ų131.857%0.56963%0.63SS**Hα-helixtrans-65.7-41.6174.6-67.2165.7000110.5M87 E88 L94 H95M87-I91 VanDerWaalsContact O-CG1 3.26Å; M87-I91 WeakPolarHBondContact O-CG1 3.33Å; M87-I91 PolarHBondContact O-N 3.32Å; E88-I91 PolarHBondContact O-N 3.11Å; I91-L94 PolarHBondContact O-N 3.36Å; I91-H95 WeakPolarHBondContact O-CB 3.47Å; I91-H95 PolarHBondContact O-N 2.98Å
92L58.5Low53.2Low121 Ų121130.1 Ų130.163%0.63463%0.63SS**Hα-helixtrans-61.7-44.2174.1-94.8157000112E88 T89 L94 H95 D96E88-L92 WeakPolarHBondContact O-CB 3.35Å; E88-L92 PolarHBondContact O-N 2.88Å; T89-L92 PolarHBondContact O-N 2.78Å; L92-L94 VanDerWaalsContact C-N 3.34Å; L92-L94 PolarHBondContact O-N 3.41Å; L92-H95 PolarHBondContact O-N 3.43Å; L92-D96 WeakPolarHBondContact O-CB 3.21Å; L92-D96 PolarHBondContact O-N 3.28Å
93I57.6Low53.1Low102 Ų102131.7 Ų131.752%0.52364%0.636SS.*Hα-helixtrans-64.3-40.1176.8-66.9163.9000110.6T89 A90 D96 Y97T89-I93 WeakPolarHBondContact O-CB 3.42Å; T89-I93 WeakPolarHBondContact O-CD1 3.4Å; T89-I93 WeakPolarHBondContact O-CG1 3.34Å; T89-I93 PolarHBondContact O-N 3.48Å; A90-I93 PolarHBondContact O-N 3.06Å; I93-D96 PolarHBondContact O-N 3.3Å; I93-Y97 HydrophobicContact CG2-CD2 3.93Å; I93-Y97 HydrophobicContact CG2-CE2 4.31Å; I93-Y97 WeakPolarHBondContact O-CB 3.39Å; I93-Y97 WeakPolarHBondContact O-CD2 3.04Å; I93-Y97 PolarHBondContact O-N 3.07Å
94L56.6Low53.1Low106 Ų106133.7 Ų133.756%0.55564%0.643SS**Hα-helixtrans-67-35.9176.3-97.1149000113A90 I91 L92 Y99A90-L94 WeakPolarHBondContact O-CB 3.4Å; A90-L94 PolarHBondContact O-N 2.82Å; I91-L94 PolarHBondContact O-N 3.36Å; L92-L94 VanDerWaalsContact C-N 3.34Å; L92-L94 PolarHBondContact O-N 3.41Å; L94-Y99 HydrophobicContact CD2-CD2 4.3Å
95H55.1Low53Low161 Ų161130.8 Ų130.875%0.74564%0.64SS**Hα-helixtrans-71.1-37.9175.9-170.6-82.2000111.7I91 L92 Y97 G98I91-H95 WeakPolarHBondContact O-CB 3.47Å; I91-H95 PolarHBondContact O-N 2.98Å; L92-H95 PolarHBondContact O-N 3.43Å; H95-Y97 VanDerWaalsContact C-N 3.34Å; H95-G98 PolarHBondContact O-N 3.2Å
96D57.1Low52.9Low146 Ų146130.9 Ų130.978%0.78165%0.645SS**Hα-helixtrans-73.4-28.3177.3-144.623.9000112L92 I93 G98L92-D96 WeakPolarHBondContact O-CB 3.21Å; L92-D96 PolarHBondContact O-N 3.28Å; I93-D96 PolarHBondContact O-N 3.3Å; D96-G98 PolarHBondContact O-N 3.19Å
97Y51.4Low52.6Low188 Ų188131.7 Ų131.774%0.73765%0.651SS**THydrogen-bonded Turntrans-81.914.9173-89.2-87.9000115.1I93 H95 Y99I93-Y97 HydrophobicContact CG2-CD2 3.93Å; I93-Y97 HydrophobicContact CG2-CE2 4.31Å; I93-Y97 WeakPolarHBondContact O-CB 3.39Å; I93-Y97 WeakPolarHBondContact O-CD2 3.04Å; I93-Y97 PolarHBondContact O-N 3.07Å; H95-Y97 VanDerWaalsContact C-N 3.34Å; Y97-Y99 PolarHBondContact O-N 3.43Å
98G43.8Very low52.4Low53 Ų53131.5 Ų131.555%0.54665%0.65SS.*THydrogen-bonded Turntrans66.446.4152.700000115.9H95 D96 N100H95-G98 PolarHBondContact O-N 3.2Å; D96-G98 PolarHBondContact O-N 3.19Å; G98-N100 PolarHBondContact O-N 3.02Å
99Y41.8Very low52.1Low182 Ų182133.5 Ų133.571%0.71466%0.662SS**  trans-77.775.4159.4-85.3-86.1000109.9L94 Y97 Y101L94-Y99 HydrophobicContact CD2-CD2 4.3Å; Y97-Y99 PolarHBondContact O-N 3.43Å; Y99-Y101 PolarHBondContact O-N 3.46Å
100N39.7Very low51.5Low161 Ų161138.7 Ų138.786%0.86168%0.681SS**  trans-68.6109.8157.7-100.1-30000108.1G98G98-N100 PolarHBondContact O-N 3.02Å
101Y40.2Very low51Low287 Ų287147.1 Ų147.1100%1.12571%0.708SS**  trans-120.60153.7-96-75.2000108.7Y99Y99-Y101 PolarHBondContact O-N 3.46Å

Retrieved 101 of 101 residues in 65 ms (Link to these results)