G4V8G2_SCHMA Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession G4V8G2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 380 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
1M42.5Very low84.6Confident240 Ų240108.5 Ų108.5100%1.18257%0.566SS**  0110.20-70.9-178.7-15200105.9
2G57.4Low85.6Confident52 Ų52104.8 Ų104.854%0.53654%0.543SS..PPolyproline II helixtrans-59.2149.3176.900000110.3
3A74.8Confident86.5Confident62 Ų62104 Ų10451%0.51255%0.545SS..PPolyproline II helixtrans-66.3140.2170.500000109L34A3-L34 HydrophobicContact CB-CD1 3.46Å; A3-L34 VanDerWaalsContact CB-CD1 3.46Å; A3-L34 HydrophobicContact CB-CD2 4.48Å; A3-L34 HydrophobicContact CB-CG 3.91Å
4F90.4Very high87.3Confident85 Ų85101.4 Ų101.437%0.37354%0.535SS..EExtended strand (participates in β ladder)trans-103.7149.4174.1-64.6-74.1000109W32 R279F4-W32 CarbonylContact C-O 3.6Å; F4-W32 WeakPolarHBondContact CA-O 3.5Å; F4-W32 HydrophobicContact CD1-CB 3.94Å; F4-R279 HydrophobicContact CD1-CB 4.37Å; F4-R279 VanDerWaalsContact CD2-NH2 3.29Å; F4-R279 HydrophobicContact CE1-CB 3.72Å; F4-R279 HydrophobicContact CZ-CB 4.35Å
5L94.2Very high87.9Confident39 Ų3999.9 Ų99.920%0.20453%0.527CS..EExtended strand (participates in β ladder)trans-65.9157.1168.5-64.5169.5000110.9K7 K9 W32 R33 L34L5-K7 WeakPolarHBondContact CB-O 3.32Å; L5-K7 PolarHBondContact O-N 3.2Å; L5-K9 HydrophobicContact CD1-CD 4.3Å; L5-K9 HydrophobicContact CD1-CG 3.89Å; L5-W32 PolarHBondContact N-O 3.49Å; L5-R33 WeakPolarHBondContact CD1-O 3.4Å; L5-R33 WeakPolarHBondContact CG-O 3.36Å; L5-L34 HydrophobicContact CD2-CD2 3.6Å; L5-L34 HydrophobicContact CG-CD2 4.13Å
6E93.1Very high88.5Confident194 Ų19499.3 Ų99.391%0.90753%0.529SS*.EExtended strand (participates in β ladder)trans-66.6-29.2171.6-65.3-172.8167.100112.5
7K93.2Very high89.1Confident168 Ų16894.8 Ų94.873%0.7351%0.511SS*.EExtended strand (participates in β ladder)trans-140.1146.1174.7-65.8-175.3-177.8178.40109.4L5L5-K7 WeakPolarHBondContact CB-O 3.32Å; L5-K7 PolarHBondContact O-N 3.2Å
8P95.6Very high89.6Confident34 Ų3497.7 Ų97.722%0.22152%0.521CS..EExtended strand (participates in β ladder)trans-69.9143.5178.429.9-32000110.4T10 G31 W32 L274P8-T10 HydrophobicContact CB-CG2 4.26Å; P8-T10 HydrophobicContact CG-CG2 4.11Å; P8-T10 PolarHBondContact O-N 3.29Å; P8-G31 CarbonylContact C-O 3.53Å; P8-G31 WeakPolarHBondContact CA-O 3.46Å; P8-W32 HydrophobicContact CB-CD2 3.9Å; P8-W32 HydrophobicContact CB-CE3 4.44Å; P8-W32 HydrophobicContact CB-CG 4.06Å; P8-W32 HydrophobicContact CB-CZ2 4.41Å; P8-W32 HydrophobicContact CG-CD2 4.28Å; P8-W32 HydrophobicContact CG-CH2 4.35Å; P8-W32 HydrophobicContact CG-CZ2 3.89Å; P8-L274 HydrophobicContact CB-CD1 4.01Å; P8-L274 HydrophobicContact CB-CD2 4.4Å; P8-L274 HydrophobicContact CG-CD1 4.44Å; P8-L274 HydrophobicContact CG-CD2 4.24Å
9K96.5Very high90Very high89 Ų8993.3 Ų93.339%0.38750%0.501SS..EExtended strand (participates in β ladder)trans-83109.5165.7-71.8-175.5-164.5167.20108.7L5 M29 Q30 G31L5-K9 HydrophobicContact CD1-CD 4.3Å; L5-K9 HydrophobicContact CD1-CG 3.89Å; K9-M29 WeakPolarHBondContact O-CG 3.15Å; K9-Q30 HydrophobicContact CB-CB 4.19Å; K9-Q30 VanDerWaalsContact NZ-OE1 3.07Å; K9-G31 PolarHBondContact N-O 3.09Å; K9-G31 PolarHBondContact O-N 2.95Å
10T96.2Very high90.3Very high70 Ų7090.9 Ų90.943%0.42949%0.489SS..EExtended strand (participates in β ladder)trans-101.25.6-174.257.10000114.1P8 M29 L274P8-T10 HydrophobicContact CB-CG2 4.26Å; P8-T10 HydrophobicContact CG-CG2 4.11Å; P8-T10 PolarHBondContact O-N 3.29Å; T10-M29 HydrophobicContact CG2-SD 4.37Å; T10-L274 HydrophobicContact CG2-CD2 3.69Å
11E96.6Very high90.6Very high160 Ų16090 Ų9075%0.74850%0.5SS*.EExtended strand (participates in β ladder)trans-61.6134.2170.4-68.2154.9-174.800109.4
12K97.1Very high93.2Very high65 Ų6578.7 Ų78.728%0.28345%0.445SS..EExtended strand (participates in β ladder)trans-110.2133.8-176.3-60.3179.1179.170.30109.9V14 S28 S267 L270 D271K12-V14 HydrophobicContact CB-CG2 4.21Å; K12-S28 VanDerWaalsContact CA-O 3.32Å; K12-S28 WeakPolarHBondContact CA-O 3.4Å; K12-S267 WeakPolarHBondContact CE-O 3.37Å; K12-L270 HydrophobicContact CD-CD1 4.14Å; K12-L270 HydrophobicContact CG-CD1 4.19Å; K12-D271 WeakPolarHBondContact CE-OD1 3.09Å; K12-D271 WeakPolarHBondContact CE-OD2 3.43Å; K12-D271 IonicContact NZ-OD1 3.05Å; K12-D271 PolarHBondContact NZ-OD1 3.36Å; K12-D271 IonicContact NZ-OD2 2.83Å; K12-D271 PolarHBondContact NZ-OD2 2.98Å
13V97.3Very high95.1Very high94 Ų9481.2 Ų81.257%0.5744%0.438SS*.EExtended strand (participates in β ladder)trans-96.7120.4166.2-1800000107.4S27 S28V13-S27 CarbonylContact O-C 3.47Å; V13-S27 VanDerWaalsContact O-CA 3.31Å; V13-S27 WeakPolarHBondContact O-CA 3.5Å; V13-S28 PolarHBondContact N-O 3.3Å; V13-S28 PolarHBondContact O-N 3.29Å
14V97.3Very high96.2Very high68 Ų6879.4 Ų79.441%0.41242%0.418SS..EExtended strand (participates in β ladder)trans-119.9131.8-174.8-1790000109.9K12 V16 I26 A263K12-V14 HydrophobicContact CB-CG2 4.21Å; V14-V16 HydrophobicContact CG1-CG1 4.16Å; V14-I26 WeakPolarHBondContact CA-O 3.34Å; V14-A263 HydrophobicContact CG1-CB 3.63Å
15N96.7Very high96.6Very high78 Ų7875.3 Ų75.342%0.41740%0.4SS..EExtended strand (participates in β ladder)trans-128.7135.1169.4-170.4-61000109.3A25 I26N15-A25 CarbonylContact O-C 3.48Å; N15-A25 WeakPolarHBondContact O-CA 3.22Å; N15-I26 HydrophobicContact CB-CG2 3.65Å; N15-I26 PolarHBondContact N-O 3.17Å; N15-I26 PolarHBondContact O-N 3.33Å
16V98Very high96.8Very high90 Ų9073.5 Ų73.555%0.54539%0.391SS..EExtended strand (participates in β ladder)trans-129.2152.5179.5-60.50000109.5V14 Y24 A25 A263V14-V16 HydrophobicContact CG1-CG1 4.16Å; V16-Y24 WeakPolarHBondContact CA-O 3.41Å; V16-A25 HydrophobicContact CG1-CB 3.86Å; V16-A263 HydrophobicContact CG1-CB 3.8Å
17G97.7Very high97.1Very high23 Ų2364.2 Ų64.224%0.23735%0.347CS..EExtended strand (participates in β ladder)trans-168.2174.7173.300000112.8R23 Y24G17-R23 CarbonylContact O-C 3.56Å; G17-R23 WeakPolarHBondContact O-CA 3.35Å; G17-Y24 VanDerWaalsContact C-CE1 3.49Å; G17-Y24 VanDerWaalsContact CA-CE1 3.46Å; G17-Y24 VanDerWaalsContact CA-CZ 3.47Å; G17-Y24 PolarHBondContact N-O 3.05Å; G17-Y24 VanDerWaalsContact N-O 3.1Å; G17-Y24 WeakPolarHBondContact O-CD1 3.27Å; G17-Y24 PolarHBondContact O-N 3.37Å
18E97.5Very high97.3Very high147 Ų14756.6 Ų56.669%0.68732%0.315SS*.EExtended strand (participates in β ladder)trans-144.5160.8179.461-178.1-162.400110.2L22 R23 S44E18-L22 VanDerWaalsContact CA-O 3.23Å; E18-L22 WeakPolarHBondContact CA-O 3.43Å; E18-L22 WeakPolarHBondContact CB-O 3.37Å; E18-R23 HydrophobicContact CB-CG 4.15Å; E18-S44 WeakPolarHBondContact O-CB 3.48Å; E18-S44 PolarHBondContact O-OG 3.34Å
19G97.1Very high97.4Very high14 Ų1455.1 Ų55.114%0.14431%0.305CS..EExtended strand (participates in β ladder)trans154.2156.8179.200000111G21 L22G19-G21 PolarHBondContact O-N 3.11Å; G19-L22 PolarHBondContact N-O 3.2Å; G19-L22 WeakPolarHBondContact O-CB 3.44Å; G19-L22 PolarHBondContact O-N 3.12Å
20N97.2Very high97.5Very high46 Ų4652.1 Ų52.125%0.24629%0.293CS..THydrogen-bonded Turntrans5229.3-175.8-74.9-37.1000115L22 S44 Q51 W53N20-L22 PolarHBondContact O-N 2.85Å; N20-S44 PolarHBondContact ND2-O 2.91Å; N20-Q51 PolarHBondContact ND2-O 3.24Å; N20-Q51 PolarHBondContact OD1-O 3.44Å; N20-W53 PolarHBondContact ND2-O 3.43Å
21G95.7Very high97.6Very high71 Ų7148.8 Ų48.873%0.73227%0.272SS*.THydrogen-bonded Turntrans75.39.1-176.800000114.5G19G19-G21 PolarHBondContact O-N 3.11Å
22L97.5Very high97.6Very high3 Ų344.4 Ų44.42%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-105.8153.3178.4-49-178000110.1E18 G19 N20 S54 F56 V132 V287 L289E18-L22 VanDerWaalsContact CA-O 3.23Å; E18-L22 WeakPolarHBondContact CA-O 3.43Å; E18-L22 WeakPolarHBondContact CB-O 3.37Å; G19-L22 PolarHBondContact N-O 3.2Å; G19-L22 WeakPolarHBondContact O-CB 3.44Å; G19-L22 PolarHBondContact O-N 3.12Å; N20-L22 PolarHBondContact O-N 2.85Å; L22-S54 WeakPolarHBondContact CD1-OG 3.32Å; L22-F56 HydrophobicContact CD1-CE2 4.22Å; L22-F56 HydrophobicContact CD1-CZ 4.4Å; L22-V132 HydrophobicContact CD1-CB 3.78Å; L22-V132 HydrophobicContact CD1-CG1 3.69Å; L22-V132 HydrophobicContact CD1-CG2 4.17Å; L22-V132 HydrophobicContact CD2-CG1 4.36Å; L22-V287 HydrophobicContact CB-CG1 4.1Å; L22-V287 HydrophobicContact CD1-CG1 4.08Å; L22-L289 HydrophobicContact CD2-CD2 3.84Å
23R97.9Very high97.6Very high106 Ų10644.5 Ų44.540%0.425%0.247SC..EExtended strand (participates in β ladder)trans-122.1142163.1-61.8179.6-63.9130.12108G17 E18 L262 V287 A288G17-R23 CarbonylContact O-C 3.56Å; G17-R23 WeakPolarHBondContact O-CA 3.35Å; E18-R23 HydrophobicContact CB-CG 4.15Å; R23-L262 HydrophobicContact CB-CD1 3.87Å; R23-L262 WeakPolarHBondContact O-CD1 3.42Å; R23-V287 CarbonylContact O-C 3.6Å; R23-V287 WeakPolarHBondContact O-CA 3.39Å; R23-A288 HydrophobicContact CB-CB 4.34Å; R23-A288 PolarHBondContact N-O 3.34Å; R23-A288 PolarHBondContact O-N 3.37Å
24Y98.5Very high97.6Very high23 Ų2343.8 Ų43.89%0.0924%0.24CC..EExtended strand (participates in β ladder)trans-133155175.470.4-94.2000111.9V16 G17 A42 F56 L286V16-Y24 WeakPolarHBondContact CA-O 3.41Å; G17-Y24 VanDerWaalsContact C-CE1 3.49Å; G17-Y24 VanDerWaalsContact CA-CE1 3.46Å; G17-Y24 VanDerWaalsContact CA-CZ 3.47Å; G17-Y24 PolarHBondContact N-O 3.05Å; G17-Y24 VanDerWaalsContact N-O 3.1Å; G17-Y24 WeakPolarHBondContact O-CD1 3.27Å; G17-Y24 PolarHBondContact O-N 3.37Å; Y24-A42 HydrophobicContact CD2-CB 3.66Å; Y24-A42 HydrophobicContact CE1-CB 4.42Å; Y24-A42 HydrophobicContact CE2-CB 3.35Å; Y24-A42 HydrophobicContact CG-CB 4.34Å; Y24-F56 AromaticContact CD1-CE1 3.64Å; Y24-F56 HydrophobicContact CD1-CE1 3.64Å; Y24-F56 HydrophobicContact CD1-CZ 4.19Å; Y24-F56 HydrophobicContact CD2-CE1 4.43Å; Y24-F56 HydrophobicContact CE1-CE1 4.31Å; Y24-F56 AromaticContact CG-CE1 3.71Å; Y24-F56 HydrophobicContact CG-CE1 3.71Å; Y24-F56 HydrophobicContact CG-CZ 4.49Å; Y24-L286 CarbonylContact C-O 3.54Å; Y24-L286 WeakPolarHBondContact CA-O 3.28Å; Y24-L286 WeakPolarHBondContact CB-O 3.36Å
25A98.6Very high97.5Very high0 Ų046.7 Ų46.70%025%0.249CC..EExtended strand (participates in β ladder)trans-136.9144.3161.600000109N15 V16 L262 A263 L285 L286N15-A25 CarbonylContact O-C 3.48Å; N15-A25 WeakPolarHBondContact O-CA 3.22Å; V16-A25 HydrophobicContact CG1-CB 3.86Å; A25-L262 HydrophobicContact CB-CB 3.47Å; A25-L262 VanDerWaalsContact CB-CB 3.47Å; A25-A263 HydrophobicContact CB-CB 4.18Å; A25-L285 CarbonylContact O-C 3.54Å; A25-L285 WeakPolarHBondContact O-CA 3.43Å; A25-L286 PolarHBondContact N-O 3Å; A25-L286 PolarHBondContact O-N 2.82Å
26I98Very high97.6Very high0 Ų045.4 Ų45.40%024%0.241CC..EExtended strand (participates in β ladder)trans-125.2138.9166.7178.5150.2000108.8V14 N15 H40 V58 V284 L285V14-I26 WeakPolarHBondContact CA-O 3.34Å; N15-I26 HydrophobicContact CB-CG2 3.65Å; N15-I26 PolarHBondContact N-O 3.17Å; N15-I26 PolarHBondContact O-N 3.33Å; I26-H40 HydrophobicContact CD1-CB 3.17Å; I26-H40 WeakPolarHBondContact CD1-CD2 3.1Å; I26-H40 HydrophobicContact CG1-CB 4.41Å; I26-V58 HydrophobicContact CD1-CG2 4.35Å; I26-V284 VanDerWaalsContact CA-O 3.32Å; I26-V284 WeakPolarHBondContact CA-O 3.15Å; I26-V284 WeakPolarHBondContact CG1-O 3.33Å; I26-L285 HydrophobicContact CB-CB 4.37Å; I26-L285 HydrophobicContact CB-CG 4.16Å; I26-L285 HydrophobicContact CD1-CB 4Å; I26-L285 HydrophobicContact CD1-CD1 3.93Å; I26-L285 HydrophobicContact CD1-CG 4.18Å; I26-L285 HydrophobicContact CG1-CB 4.41Å
27S98.2Very high97.6Very high0 Ų042.4 Ų42.40%022%0.221CC..EExtended strand (participates in β ladder)trans-132137.6172.9-162.90000109V13 L270 S283 V284V13-S27 CarbonylContact O-C 3.47Å; V13-S27 VanDerWaalsContact O-CA 3.31Å; V13-S27 WeakPolarHBondContact O-CA 3.5Å; S27-L270 WeakPolarHBondContact OG-CD1 2.99Å; S27-S283 WeakPolarHBondContact O-CA 3.44Å; S27-V284 PolarHBondContact N-O 2.97Å; S27-V284 PolarHBondContact O-N 2.78Å
28S98.3Very high97.6Very high8 Ų842 Ų426%0.05621%0.214CC..EExtended strand (participates in β ladder)trans-131.4149.2174.169.60000112.5K12 V13 M282 S283K12-S28 VanDerWaalsContact CA-O 3.32Å; K12-S28 WeakPolarHBondContact CA-O 3.4Å; V13-S28 PolarHBondContact N-O 3.3Å; V13-S28 PolarHBondContact O-N 3.29Å; S28-M282 CarbonylContact C-O 3.44Å; S28-M282 WeakPolarHBondContact CA-O 3.42Å; S28-S283 VanDerWaalsContact CB-OG 3.27Å; S28-S283 WeakPolarHBondContact CB-OG 3.47Å
29M98.4Very high97.7Very high2 Ų235.5 Ų35.51%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-146.1130.2-176.8179.517275.800110.2K9 T10 G31 L270 L274 M282K9-M29 WeakPolarHBondContact O-CG 3.15Å; T10-M29 HydrophobicContact CG2-SD 4.37Å; M29-G31 VanDerWaalsContact C-N 3.34Å; M29-G31 PolarHBondContact O-N 3.3Å; M29-L270 HydrophobicContact CB-CD1 3.94Å; M29-L270 HydrophobicContact CE-CB 4.03Å; M29-L270 WeakPolarHBondContact CE-O 3.46Å; M29-L274 HydrophobicContact CE-CB 3.89Å; M29-L274 HydrophobicContact CE-CD1 4.35Å; M29-L274 HydrophobicContact CE-CD2 4.12Å; M29-L274 HydrophobicContact CE-CG 4.35Å; M29-M282 HydrophobicContact CE-CE 3.27Å; M29-M282 HydrophobicContact CE-SD 4.1Å; M29-M282 PolarHBondContact N-O 3.43Å; M29-M282 PolarHBondContact O-N 2.95Å
30Q98.2Very high97.8Very high26 Ų2637.2 Ų37.212%0.12119%0.189CC..EExtended strand (participates in β ladder)trans-66.4-35.4-178.1-176.6178.8-36.400112.3K9 W32 R33 L34 M36 N281K9-Q30 HydrophobicContact CB-CB 4.19Å; K9-Q30 VanDerWaalsContact NZ-OE1 3.07Å; Q30-W32 PolarHBondContact O-N 3.15Å; Q30-R33 PolarHBondContact NE2-O 3.09Å; Q30-L34 PolarHBondContact NE2-O 3.35Å; Q30-M36 HydrophobicContact CB-CB 4.21Å; Q30-M36 HydrophobicContact CB-SD 4.29Å; Q30-M36 HydrophobicContact CG-CB 4.05Å; Q30-N281 PolarHBondContact O-ND2 3.31Å
31G97.3Very high97.8Very high0 Ų035.8 Ų35.80%018%0.182CC..EExtended strand (participates in β ladder)trans67.5-134.117800000112P8 K9 M29P8-G31 CarbonylContact C-O 3.53Å; P8-G31 WeakPolarHBondContact CA-O 3.46Å; K9-G31 PolarHBondContact N-O 3.09Å; K9-G31 PolarHBondContact O-N 2.95Å; M29-G31 VanDerWaalsContact C-N 3.34Å; M29-G31 PolarHBondContact O-N 3.3Å
32W97.5Very high98Very high69 Ų6933.4 Ų33.426%0.26116%0.156SC..EExtended strand (participates in β ladder)trans-89-11.1-172.8-69.892.7000114.7F4 L5 P8 Q30 R279F4-W32 CarbonylContact C-O 3.6Å; F4-W32 WeakPolarHBondContact CA-O 3.5Å; F4-W32 HydrophobicContact CD1-CB 3.94Å; L5-W32 PolarHBondContact N-O 3.49Å; P8-W32 HydrophobicContact CB-CD2 3.9Å; P8-W32 HydrophobicContact CB-CE3 4.44Å; P8-W32 HydrophobicContact CB-CG 4.06Å; P8-W32 HydrophobicContact CB-CZ2 4.41Å; P8-W32 HydrophobicContact CG-CD2 4.28Å; P8-W32 HydrophobicContact CG-CH2 4.35Å; P8-W32 HydrophobicContact CG-CZ2 3.89Å; Q30-W32 PolarHBondContact O-N 3.15Å; W32-R279 HydrophobicContact CB-CB 4.2Å; W32-R279 HydrophobicContact CG-CB 4.39Å
33R97Very high98Very high66 Ų6636.7 Ų36.725%0.24917%0.17CC..EExtended strand (participates in β ladder)trans-69.5151.5-179.6-62-62.7-149.786.73111L5 Q30 E35 E37 D280 N281L5-R33 WeakPolarHBondContact CD1-O 3.4Å; L5-R33 WeakPolarHBondContact CG-O 3.36Å; Q30-R33 PolarHBondContact NE2-O 3.09Å; R33-E35 VanDerWaalsContact C-N 3.32Å; R33-E35 WeakPolarHBondContact CB-O 3.07Å; R33-E37 IonicContact NH1-OE2 2.95Å; R33-D280 IonicContact CZ-OD1 2.77Å; R33-D280 IonicContact CZ-OD2 3.51Å; R33-D280 IonicContact NE-OD1 3.71Å; R33-D280 PolarHBondContact NE-OD1 2.63Å; R33-D280 IonicContact NE-OD2 3.3Å; R33-D280 PolarHBondContact NE-OD2 3.14Å; R33-D280 IonicContact NH1-OD1 2.66Å; R33-D280 IonicContact NH2-OD1 3.59Å; R33-D280 PolarHBondContact NH2-OD1 3.34Å; R33-D280 IonicContact NH2-OD2 3.45Å; R33-D280 PolarHBondContact NH2-OD2 3.31Å; R33-N281 WeakPolarHBondContact CB-ND2 3.41Å
34L96.4Very high97.9Very high80 Ų8032.6 Ų32.642%0.41916%0.158SC..SBendtrans-63.6-38.4174.4-72.9-173.5000112.8A3 L5 Q30A3-L34 HydrophobicContact CB-CD1 3.46Å; A3-L34 VanDerWaalsContact CB-CD1 3.46Å; A3-L34 HydrophobicContact CB-CD2 4.48Å; A3-L34 HydrophobicContact CB-CG 3.91Å; L5-L34 HydrophobicContact CD2-CD2 3.6Å; L5-L34 HydrophobicContact CG-CD2 4.13Å; Q30-L34 PolarHBondContact NE2-O 3.35Å
35E96.9Very high97.8Very high128 Ų12837.1 Ų37.160%0.59818%0.179SC*.SBendtrans-120.1160.8-177.2-57.5-55.1150.900110.8R33 E37 N281R33-E35 VanDerWaalsContact C-N 3.32Å; R33-E35 WeakPolarHBondContact CB-O 3.07Å; E35-E37 HydrophobicContact CB-CG 4.29Å; E35-N281 PolarHBondContact O-ND2 3.03Å; E35-N281 PolarHBondContact O-OD1 2.83Å
36M97.7Very high97.8Very high52 Ų5237.6 Ų37.626%0.25618%0.182SC..  trans-104.1103.1170.2178.562.7176.100107.8Q30 D38 N281Q30-M36 HydrophobicContact CB-CB 4.21Å; Q30-M36 HydrophobicContact CB-SD 4.29Å; Q30-M36 HydrophobicContact CG-CB 4.05Å; M36-D38 HydrophobicContact CE-CB 3.38Å; M36-D38 HydrophobicContact SD-CB 4.03Å; M36-N281 WeakPolarHBondContact CA-OD1 3.42Å; M36-N281 HydrophobicContact SD-CB 3.97Å
37E98.2Very high97.7Very high27 Ų2742 Ų4213%0.12621%0.21CC..  trans-100.5-11.4-176.6-59.3179.7123.800112.4R33 E35 G61 A63 G64 S68 N281R33-E37 IonicContact NH1-OE2 2.95Å; E35-E37 HydrophobicContact CB-CG 4.29Å; E37-G61 VanDerWaalsContact CB-O 3.22Å; E37-G61 WeakPolarHBondContact CB-O 3.4Å; E37-G61 WeakPolarHBondContact O-CA 3.47Å; E37-G61 PolarHBondContact O-N 3.3Å; E37-A63 PolarHBondContact OE1-N 3.49Å; E37-G64 WeakPolarHBondContact OE1-CA 3.45Å; E37-G64 PolarHBondContact OE1-N 3.32Å; E37-S68 WeakPolarHBondContact O-CB 3.39Å; E37-S68 PolarHBondContact O-OG 3.47Å; E37-N281 PolarHBondContact N-OD1 3.22Å
38D98.6Very high97.5Very high14 Ų1446.8 Ų46.88%0.07524%0.244CC..  trans-68.1138.6173.3-85.68.7000112.4M36 F59 D60 C236 N281 S283M36-D38 HydrophobicContact CE-CB 3.38Å; M36-D38 HydrophobicContact SD-CB 4.03Å; D38-F59 CarbonylContact C-O 3.59Å; D38-F59 WeakPolarHBondContact CA-O 3.28Å; D38-D60 WeakPolarHBondContact OD1-CA 3.28Å; D38-C236 PolarHBondContact OD2-SG 3.26Å; D38-N281 HydrophobicContact CB-CB 4.41Å; D38-S283 VanDerWaalsContact CB-OG 3.32Å; D38-S283 WeakPolarHBondContact CB-OG 3.37Å; D38-S283 VanDerWaalsContact OD2-CB 3.25Å; D38-S283 WeakPolarHBondContact OD2-CB 3.49Å; D38-S283 PolarHBondContact OD2-N 3.46Å; D38-S283 PolarHBondContact OD2-OG 3.1Å
39A98.6Very high97.4Very high11 Ų1149.5 Ų49.59%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-131.3167.1168.500000111F59 S68 A72A39-F59 HydrophobicContact CB-CB 4.41Å; A39-F59 PolarHBondContact N-O 3.27Å; A39-F59 PolarHBondContact O-N 3.43Å; A39-S68 VanDerWaalsContact CB-C 3.44Å; A39-S68 WeakPolarHBondContact CB-O 3.24Å; A39-A72 HydrophobicContact CB-CB 4Å
40H98.6Very high97.3Very high49 Ų4949.7 Ų49.723%0.22726%0.262CS..EExtended strand (participates in β ladder)trans-158164.3-178.859.7-102.3000113.5I26 G57 A72I26-H40 HydrophobicContact CD1-CB 3.17Å; I26-H40 WeakPolarHBondContact CD1-CD2 3.1Å; I26-H40 HydrophobicContact CG1-CB 4.41Å; H40-G57 VanDerWaalsContact CA-O 3.29Å; H40-G57 WeakPolarHBondContact CA-O 3.24Å; H40-G57 WeakPolarHBondContact CB-O 3.35Å; H40-A72 WeakPolarHBondContact O-CB 3.12Å
41V98.3Very high97.2Very high16 Ų1651.9 Ų51.910%0.09727%0.272CS..EExtended strand (participates in β ladder)trans-143.7138.7176.363.50000110.2K43 Y55 F56 G57 F59V41-K43 HydrophobicContact CG2-CD 4.46Å; V41-K43 HydrophobicContact CG2-CG 4.19Å; V41-Y55 HydrophobicContact CB-CE1 4.44Å; V41-Y55 HydrophobicContact CG1-CD1 3.82Å; V41-Y55 HydrophobicContact CG1-CE1 3.33Å; V41-Y55 HydrophobicContact CG2-CD1 4.25Å; V41-Y55 HydrophobicContact CG2-CE1 4.29Å; V41-F56 CarbonylContact O-C 3.56Å; V41-F56 WeakPolarHBondContact O-CA 3.07Å; V41-G57 PolarHBondContact N-O 2.88Å; V41-G57 PolarHBondContact O-N 3.42Å; V41-F59 HydrophobicContact CB-CE2 4.33Å; V41-F59 HydrophobicContact CG1-CE2 3.64Å; V41-F59 HydrophobicContact CG1-CZ 3.93Å
42A98.3Very high97.2Very high22 Ų2258.9 Ų58.918%0.18230%0.3CS..EExtended strand (participates in β ladder)trans-140.7118.1172.800000109.1Y24 F56 L285Y24-A42 HydrophobicContact CD2-CB 3.66Å; Y24-A42 HydrophobicContact CE1-CB 4.42Å; Y24-A42 HydrophobicContact CE2-CB 3.35Å; Y24-A42 HydrophobicContact CG-CB 4.34Å; A42-F56 HydrophobicContact CB-CD1 3.81Å; A42-F56 HydrophobicContact CB-CE1 4.14Å; A42-L285 HydrophobicContact CB-CD1 4.42Å
43K98Very high97.3Very high72 Ų7256 Ų5631%0.31329%0.289SS..EExtended strand (participates in β ladder)trans-129.6109.4178-63.9-177-180179.40108V41 E45 L46 S54 Y55 L76V41-K43 HydrophobicContact CG2-CD 4.46Å; V41-K43 HydrophobicContact CG2-CG 4.19Å; K43-E45 VanDerWaalsContact C-N 3.29Å; K43-L46 HydrophobicContact CB-CD2 3.81Å; K43-L46 HydrophobicContact CD-CD2 3.96Å; K43-S54 CarbonylContact O-C 3.6Å; K43-S54 VanDerWaalsContact O-CA 3.24Å; K43-S54 WeakPolarHBondContact O-CA 3.43Å; K43-S54 WeakPolarHBondContact O-CB 3.48Å; K43-Y55 PolarHBondContact N-O 3.09Å; K43-Y55 PolarHBondContact O-N 3.42Å; K43-L76 HydrophobicContact CD-CD2 3.76Å
44S96.7Very high97.3Very high20 Ų2052.9 Ų52.914%0.1428%0.277CS..SBendtrans-70.8-27177.349.40000112.6E18 N20 S54E18-S44 WeakPolarHBondContact O-CB 3.48Å; E18-S44 PolarHBondContact O-OG 3.34Å; N20-S44 PolarHBondContact ND2-O 2.91Å; S44-S54 WeakPolarHBondContact O-CB 3.34Å; S44-S54 PolarHBondContact O-OG 2.68Å
45E96.8Very high97.5Very high117 Ų11749.1 Ų49.155%0.54726%0.257SS..SBendtrans-133.7139.7177.4-64.9175.6-165.500109.9K43K43-E45 VanDerWaalsContact C-N 3.29Å
46L97.5Very high97.5Very high10 Ų1043 Ų435%0.05223%0.229CC..PPolyproline II helixtrans-103.9163.6175.6-59.4-172.3000111.7K43 F50 Q51 W53 L76 F131K43-L46 HydrophobicContact CB-CD2 3.81Å; K43-L46 HydrophobicContact CD-CD2 3.96Å; L46-F50 HydrophobicContact CB-CB 3.82Å; L46-F50 WeakPolarHBondContact CB-O 3.36Å; L46-F50 HydrophobicContact CD1-CB 4.17Å; L46-Q51 WeakPolarHBondContact O-CA 3.47Å; L46-W53 HydrophobicContact CD1-CB 3.94Å; L46-W53 HydrophobicContact CG-CB 4.32Å; L46-W53 WeakPolarHBondContact CG-O 3.39Å; L46-W53 PolarHBondContact N-O 3.16Å; L46-L76 HydrophobicContact CD1-CD1 4.22Å; L46-L76 HydrophobicContact CD2-CD2 3.66Å; L46-F131 HydrophobicContact CD1-CD1 4.35Å; L46-F131 HydrophobicContact CD1-CE1 4.11Å
47P95.4Very high97.6Very high92 Ų9240.5 Ų40.560%0.59722%0.217SC*.SBendtrans-60.2153.6171.5-2435.3000112.6F50P47-F50 WeakPolarHBondContact O-CA 3.44Å; P47-F50 PolarHBondContact O-N 3.49Å
48S94.7Very high97.6Very high102 Ų10239.2 Ų39.271%0.71321%0.211SC*.THydrogen-bonded Turntrans-51.8138.3171.3175.40000110.9
49P95.5Very high97.6Very high64 Ų6438.6 Ų38.642%0.41621%0.207SC..THydrogen-bonded Turncis-89.713.57.636.9-38.1000115.3Q51 F90P49-Q51 PolarHBondContact O-OE1 3.2Å; P49-Q51 VanDerWaalsContact O-OE1 3.11Å; P49-F90 HydrophobicContact CB-CD2 4.01Å; P49-F90 HydrophobicContact CB-CE2 3.5Å; P49-F90 HydrophobicContact CB-CZ 4.04Å; P49-F90 HydrophobicContact CG-CD2 4.39Å; P49-F90 HydrophobicContact CG-CE2 3.44Å; P49-F90 VanDerWaalsContact CG-CE2 3.44Å; P49-F90 HydrophobicContact CG-CZ 3.84Å
50F97Very high97.6Very high7 Ų738.5 Ų38.53%0.03121%0.205CC..  trans-99.422-174-57.6-85000113.7L46 P47 Y52 W53 L80 F85 L88 F90L46-F50 HydrophobicContact CB-CB 3.82Å; L46-F50 WeakPolarHBondContact CB-O 3.36Å; L46-F50 HydrophobicContact CD1-CB 4.17Å; P47-F50 WeakPolarHBondContact O-CA 3.44Å; P47-F50 PolarHBondContact O-N 3.49Å; F50-Y52 PolarHBondContact O-N 3.46Å; F50-W53 HydrophobicContact CB-CB 4.22Å; F50-W53 HydrophobicContact CB-CG 4.19Å; F50-W53 AromaticContact CD1-CD2 3.98Å; F50-W53 HydrophobicContact CD1-CD2 3.98Å; F50-W53 HydrophobicContact CD1-CE3 4.35Å; F50-W53 HydrophobicContact CD1-CG 4.26Å; F50-W53 HydrophobicContact CD1-CZ2 4.45Å; F50-W53 WeakPolarHBondContact O-CA 3.45Å; F50-W53 VanDerWaalsContact O-CB 3.29Å; F50-W53 WeakPolarHBondContact O-CB 3.33Å; F50-W53 PolarHBondContact O-N 2.76Å; F50-L80 HydrophobicContact CD1-CD2 4.43Å; F50-L80 HydrophobicContact CD2-CD1 4.43Å; F50-L80 HydrophobicContact CD2-CD2 4.01Å; F50-L80 HydrophobicContact CE1-CD2 4.34Å; F50-L80 HydrophobicContact CE2-CD2 3.93Å; F50-L80 HydrophobicContact CG-CD2 4.27Å; F50-L80 HydrophobicContact CZ-CD2 4.11Å; F50-F85 AromaticContact CE1-CD1 3.68Å; F50-F85 HydrophobicContact CE1-CD1 3.68Å; F50-F85 HydrophobicContact CE1-CE1 4.22Å; F50-F85 HydrophobicContact CZ-CB 4.3Å; F50-F85 AromaticContact CZ-CD1 3.71Å; F50-F85 HydrophobicContact CZ-CD1 3.71Å; F50-F85 HydrophobicContact CZ-CG 4.49Å; F50-L88 HydrophobicContact CE1-CD1 3.98Å; F50-L88 HydrophobicContact CZ-CD1 4.48Å; F50-F90 AromaticContact CD1-CE1 3.89Å; F50-F90 HydrophobicContact CD1-CE1 3.89Å; F50-F90 AromaticContact CD1-CZ 3.63Å; F50-F90 HydrophobicContact CD1-CZ 3.63Å; F50-F90 HydrophobicContact CE1-CE1 4.03Å; F50-F90 AromaticContact CE1-CZ 3.47Å; F50-F90 HydrophobicContact CE1-CZ 3.47Å; F50-F90 VanDerWaalsContact CE1-CZ 3.47Å; F50-F90 HydrophobicContact CG-CZ 4.26Å; F50-F90 AromaticContact CZ-CZ 3.96Å; F50-F90 HydrophobicContact CZ-CZ 3.96Å
51Q97.1Very high97.6Very high71 Ų7136.2 Ų36.233%0.33220%0.195SC..THydrogen-bonded Turntrans-57-26-171.966.4-87.225.300115.2N20 L46 P49 W53N20-Q51 PolarHBondContact ND2-O 3.24Å; N20-Q51 PolarHBondContact OD1-O 3.44Å; L46-Q51 WeakPolarHBondContact O-CA 3.47Å; P49-Q51 PolarHBondContact O-OE1 3.2Å; P49-Q51 VanDerWaalsContact O-OE1 3.11Å; Q51-W53 VanDerWaalsContact C-N 3.33Å
52Y97Very high97.6Very high148 Ų14837.1 Ų37.158%0.5820%0.198SC*.THydrogen-bonded Turntrans-92.29.8176.6-55-63.1000114.2F50 P134F50-Y52 PolarHBondContact O-N 3.46Å; Y52-P134 WeakPolarHBondContact O-CD 3.24Å
53W98.3Very high97.5Very high8 Ų839.6 Ų39.63%0.0322%0.218CC..  trans-101.7144.1173.5-66.345.2000108.8N20 L46 F50 Q51 F85 L88 F90 L94 V99 F131 V132 T133 I138N20-W53 PolarHBondContact ND2-O 3.43Å; L46-W53 HydrophobicContact CD1-CB 3.94Å; L46-W53 HydrophobicContact CG-CB 4.32Å; L46-W53 WeakPolarHBondContact CG-O 3.39Å; L46-W53 PolarHBondContact N-O 3.16Å; F50-W53 HydrophobicContact CB-CB 4.22Å; F50-W53 HydrophobicContact CB-CG 4.19Å; F50-W53 AromaticContact CD1-CD2 3.98Å; F50-W53 HydrophobicContact CD1-CD2 3.98Å; F50-W53 HydrophobicContact CD1-CE3 4.35Å; F50-W53 HydrophobicContact CD1-CG 4.26Å; F50-W53 HydrophobicContact CD1-CZ2 4.45Å; F50-W53 WeakPolarHBondContact O-CA 3.45Å; F50-W53 VanDerWaalsContact O-CB 3.29Å; F50-W53 WeakPolarHBondContact O-CB 3.33Å; F50-W53 PolarHBondContact O-N 2.76Å; Q51-W53 VanDerWaalsContact C-N 3.33Å; W53-F85 HydrophobicContact CH2-CE1 4.44Å; W53-F85 HydrophobicContact CZ3-CE1 4Å; W53-F85 HydrophobicContact CZ3-CZ 4.48Å; W53-L88 HydrophobicContact CH2-CD1 4.35Å; W53-F90 HydrophobicContact CZ2-CE1 4.45Å; W53-F90 AromaticContact NE1-CE1 3.8Å; W53-L94 HydrophobicContact CH2-CD1 3.85Å; W53-L94 HydrophobicContact CH2-CD2 4.21Å; W53-L94 HydrophobicContact CZ2-CD1 3.57Å; W53-L94 HydrophobicContact CZ2-CD2 4.23Å; W53-V99 HydrophobicContact CH2-CG2 4Å; W53-F131 HydrophobicContact CE3-CB 4.08Å; W53-F131 AromaticContact CE3-CD1 3.73Å; W53-F131 HydrophobicContact CE3-CD1 3.73Å; W53-F131 HydrophobicContact CE3-CE1 4.45Å; W53-F131 HydrophobicContact CE3-CG 4.11Å; W53-F131 HydrophobicContact CZ3-CB 4.28Å; W53-F131 HydrophobicContact CZ3-CD1 4.22Å; W53-F131 HydrophobicContact CZ3-CG 4.27Å; W53-V132 CarbonylContact C-O 3.52Å; W53-V132 WeakPolarHBondContact CA-O 3.23Å; W53-T133 HydrophobicContact CD2-CG2 3.43Å; W53-T133 VanDerWaalsContact CD2-CG2 3.43Å; W53-T133 HydrophobicContact CE3-CG2 3.49Å; W53-T133 VanDerWaalsContact CE3-CG2 3.49Å; W53-T133 HydrophobicContact CG-CG2 4.08Å; W53-T133 HydrophobicContact CH2-CG2 3.76Å; W53-T133 HydrophobicContact CZ2-CG2 3.71Å; W53-T133 HydrophobicContact CZ3-CG2 3.65Å; W53-I138 HydrophobicContact CH2-CD1 4.34Å; W53-I138 HydrophobicContact CZ3-CD1 4.14Å
54S98.7Very high97.4Very high0 Ų037.3 Ų37.30%022%0.216CC..EExtended strand (participates in β ladder)trans-112.2148.9167.3-48.20000109.2L22 K43 S44 F131 V132L22-S54 WeakPolarHBondContact CD1-OG 3.32Å; K43-S54 CarbonylContact O-C 3.6Å; K43-S54 VanDerWaalsContact O-CA 3.24Å; K43-S54 WeakPolarHBondContact O-CA 3.43Å; K43-S54 WeakPolarHBondContact O-CB 3.48Å; S44-S54 WeakPolarHBondContact O-CB 3.34Å; S44-S54 PolarHBondContact O-OG 2.68Å; S54-F131 CarbonylContact O-C 3.49Å; S54-F131 VanDerWaalsContact O-CA 3.23Å; S54-F131 WeakPolarHBondContact O-CA 3.36Å; S54-V132 PolarHBondContact N-O 2.89Å; S54-V132 PolarHBondContact O-N 3.42Å
55Y98.8Very high97.4Very high1 Ų138 Ų380%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-130.1129.9178.2177.4-107000110.8V41 K43 L76 I129 A130 F131V41-Y55 HydrophobicContact CB-CE1 4.44Å; V41-Y55 HydrophobicContact CG1-CD1 3.82Å; V41-Y55 HydrophobicContact CG1-CE1 3.33Å; V41-Y55 HydrophobicContact CG2-CD1 4.25Å; V41-Y55 HydrophobicContact CG2-CE1 4.29Å; K43-Y55 PolarHBondContact N-O 3.09Å; K43-Y55 PolarHBondContact O-N 3.42Å; Y55-L76 HydrophobicContact CD1-CB 4.05Å; Y55-L76 HydrophobicContact CD1-CD1 4.08Å; Y55-L76 HydrophobicContact CD1-CD2 3.89Å; Y55-L76 HydrophobicContact CD1-CG 4.22Å; Y55-L76 HydrophobicContact CD2-CD1 3.84Å; Y55-L76 HydrophobicContact CE1-CB 3.7Å; Y55-L76 HydrophobicContact CE1-CD1 4.32Å; Y55-L76 HydrophobicContact CE1-CD2 4.4Å; Y55-L76 HydrophobicContact CE1-CG 4.36Å; Y55-L76 HydrophobicContact CE2-CD1 4.11Å; Y55-L76 HydrophobicContact CG-CD1 3.8Å; Y55-L76 HydrophobicContact CG-CD2 4.19Å; Y55-L76 HydrophobicContact CG-CG 4.43Å; Y55-I129 HydrophobicContact CE2-CB 3.9Å; Y55-I129 HydrophobicContact CE2-CD1 3.77Å; Y55-I129 HydrophobicContact CE2-CG1 4.41Å; Y55-I129 HydrophobicContact CE2-CG2 4.21Å; Y55-I129 WeakPolarHBondContact OH-CG2 3.34Å; Y55-A130 WeakPolarHBondContact CA-O 3.44Å; Y55-F131 AromaticContact CD2-CD1 3.83Å; Y55-F131 HydrophobicContact CD2-CD1 3.83Å; Y55-F131 HydrophobicContact CD2-CD2 4.26Å; Y55-F131 AromaticContact CD2-CE1 3.42Å; Y55-F131 HydrophobicContact CD2-CE1 3.42Å; Y55-F131 VanDerWaalsContact CD2-CE1 3.42Å; Y55-F131 AromaticContact CD2-CE2 3.88Å; Y55-F131 HydrophobicContact CD2-CE2 3.88Å; Y55-F131 HydrophobicContact CD2-CG 4.25Å; Y55-F131 AromaticContact CD2-CZ 3.44Å; Y55-F131 HydrophobicContact CD2-CZ 3.44Å; Y55-F131 VanDerWaalsContact CD2-CZ 3.44Å; Y55-F131 HydrophobicContact CE2-CE1 4.15Å; Y55-F131 AromaticContact CE2-CE2 3.94Å; Y55-F131 HydrophobicContact CE2-CE2 3.94Å; Y55-F131 AromaticContact CE2-CZ 3.68Å; Y55-F131 HydrophobicContact CE2-CZ 3.68Å; Y55-F131 HydrophobicContact CG-CE1 4.14Å; Y55-F131 HydrophobicContact CG-CZ 4.49Å
56F98.8Very high97.5Very high0 Ų036.8 Ų36.80%021%0.211CC..EExtended strand (participates in β ladder)trans-132145.6-179.5-56.7-74.2000109.4L22 Y24 V41 A42 I129 A130 V132 L234 L285 V287L22-F56 HydrophobicContact CD1-CE2 4.22Å; L22-F56 HydrophobicContact CD1-CZ 4.4Å; Y24-F56 AromaticContact CD1-CE1 3.64Å; Y24-F56 HydrophobicContact CD1-CE1 3.64Å; Y24-F56 HydrophobicContact CD1-CZ 4.19Å; Y24-F56 HydrophobicContact CD2-CE1 4.43Å; Y24-F56 HydrophobicContact CE1-CE1 4.31Å; Y24-F56 AromaticContact CG-CE1 3.71Å; Y24-F56 HydrophobicContact CG-CE1 3.71Å; Y24-F56 HydrophobicContact CG-CZ 4.49Å; V41-F56 CarbonylContact O-C 3.56Å; V41-F56 WeakPolarHBondContact O-CA 3.07Å; A42-F56 HydrophobicContact CB-CD1 3.81Å; A42-F56 HydrophobicContact CB-CE1 4.14Å; F56-I129 CarbonylContact O-C 3.52Å; F56-I129 WeakPolarHBondContact O-CA 3.48Å; F56-A130 PolarHBondContact N-O 3.46Å; F56-A130 PolarHBondContact O-N 3.3Å; F56-V132 HydrophobicContact CD2-CG2 4.35Å; F56-V132 HydrophobicContact CE2-CG2 4.09Å; F56-L234 HydrophobicContact CB-CD2 4.32Å; F56-L285 HydrophobicContact CB-CD1 3.82Å; F56-L285 HydrophobicContact CB-CD2 4.06Å; F56-L285 HydrophobicContact CD1-CD1 4.13Å; F56-L285 HydrophobicContact CD1-CD2 3.92Å; F56-L285 HydrophobicContact CG-CD1 4.41Å; F56-L285 HydrophobicContact CG-CD2 4.1Å; F56-V287 HydrophobicContact CD1-CG2 3.94Å; F56-V287 HydrophobicContact CD2-CG2 3.74Å; F56-V287 HydrophobicContact CE1-CG2 3.93Å; F56-V287 HydrophobicContact CE2-CB 4.47Å; F56-V287 HydrophobicContact CE2-CG1 3.93Å; F56-V287 HydrophobicContact CE2-CG2 3.71Å; F56-V287 HydrophobicContact CG-CG2 3.85Å; F56-V287 HydrophobicContact CZ-CG1 3.92Å; F56-V287 HydrophobicContact CZ-CG2 3.81Å
57G98.7Very high97.5Very high0 Ų036.3 Ų36.30%021%0.209CC..EExtended strand (participates in β ladder)trans-159.2144.7177.500000113.6H40 V41 V128H40-G57 VanDerWaalsContact CA-O 3.29Å; H40-G57 WeakPolarHBondContact CA-O 3.24Å; H40-G57 WeakPolarHBondContact CB-O 3.35Å; V41-G57 PolarHBondContact N-O 2.88Å; V41-G57 PolarHBondContact O-N 3.42Å; G57-V128 CarbonylContact C-O 3.59Å; G57-V128 VanDerWaalsContact CA-O 3.25Å; G57-V128 WeakPolarHBondContact CA-O 3.45Å
58V98.8Very high97.7Very high0 Ų032 Ų320%018%0.18CC..EExtended strand (participates in β ladder)trans-122.9132.5170.4176.30000107.6I26 V128 L234 C236 L285I26-V58 HydrophobicContact CD1-CG2 4.35Å; V58-V128 HydrophobicContact CB-CG1 3.94Å; V58-V128 PolarHBondContact N-O 3Å; V58-V128 PolarHBondContact O-N 3.41Å; V58-L234 HydrophobicContact CG2-CB 3.9Å; V58-C236 HydrophobicContact CG1-CB 4.27Å; V58-L285 HydrophobicContact CG2-CB 4.1Å
59F98.8Very high97.9Very high0 Ų032.3 Ų32.30%017%0.171CC..EExtended strand (participates in β ladder)trans-128.3105.3-174.2-49.6-77.2000108.8D38 A39 V41 C71 A72 L75 T126 A127 I129D38-F59 CarbonylContact C-O 3.59Å; D38-F59 WeakPolarHBondContact CA-O 3.28Å; A39-F59 HydrophobicContact CB-CB 4.41Å; A39-F59 PolarHBondContact N-O 3.27Å; A39-F59 PolarHBondContact O-N 3.43Å; V41-F59 HydrophobicContact CB-CE2 4.33Å; V41-F59 HydrophobicContact CG1-CE2 3.64Å; V41-F59 HydrophobicContact CG1-CZ 3.93Å; F59-C71 HydrophobicContact CB-CB 4.28Å; F59-C71 HydrophobicContact CD1-CB 3.37Å; F59-C71 HydrophobicContact CD2-CB 4.21Å; F59-C71 HydrophobicContact CE1-CB 3.64Å; F59-C71 HydrophobicContact CE2-CB 4.44Å; F59-C71 HydrophobicContact CG-CB 3.68Å; F59-C71 HydrophobicContact CZ-CB 4.17Å; F59-A72 HydrophobicContact CD2-CB 3.79Å; F59-A72 HydrophobicContact CE2-CB 3.79Å; F59-L75 HydrophobicContact CE1-CD2 3.82Å; F59-L75 HydrophobicContact CZ-CD2 4.42Å; F59-T126 VanDerWaalsContact CA-O 3.3Å; F59-T126 WeakPolarHBondContact CA-O 3.25Å; F59-A127 HydrophobicContact CD1-CB 3.68Å; F59-A127 HydrophobicContact CE1-CB 3.84Å; F59-I129 HydrophobicContact CE1-CG2 3.78Å; F59-I129 HydrophobicContact CZ-CG2 3.94Å
60D98.7Very high98Very high10 Ų1030.5 Ų30.55%0.05316%0.157CC..  trans-85.4112.9176.8-169.6-26.3000108D38 S125 T126 C236D38-D60 WeakPolarHBondContact OD1-CA 3.28Å; D60-S125 CarbonylContact O-C 3.52Å; D60-S125 WeakPolarHBondContact O-CA 3.48Å; D60-S125 PolarHBondContact O-OG 3.43Å; D60-T126 HydrophobicContact CB-CG2 4.2Å; D60-T126 WeakPolarHBondContact CB-OG1 3.3Å; D60-T126 PolarHBondContact N-OG1 3.03Å; D60-T126 PolarHBondContact O-N 3.37Å; D60-C236 HydrophobicContact CB-CB 3.95Å; D60-C236 WeakPolarHBondContact OD2-CB 3.49Å
61G98.4Very high98.1Very high1 Ų130.2 Ų30.21%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-91.3151-17800000111.8E37 G124E37-G61 VanDerWaalsContact CB-O 3.22Å; E37-G61 WeakPolarHBondContact CB-O 3.4Å; E37-G61 WeakPolarHBondContact O-CA 3.47Å; E37-G61 PolarHBondContact O-N 3.3Å; G61-G124 WeakPolarHBondContact CA-O 3.24Å
62H97.4Very high98.2Very high35 Ų3527.7 Ų27.716%0.16215%0.147CC..EExtended strand (participates in β ladder)trans-141.9147173.356.6-103.9000111.6G64 S123 G124 D197H62-G64 PolarHBondContact O-N 2.88Å; H62-S123 WeakPolarHBondContact O-CA 3.21Å; H62-S123 VanDerWaalsContact O-CB 3.29Å; H62-S123 WeakPolarHBondContact O-CB 3.4Å; H62-G124 PolarHBondContact N-O 3.01Å; H62-G124 WeakPolarHBondContact NE2-CA 3.15Å; H62-G124 PolarHBondContact O-N 3Å; H62-D197 IonicContact CD2-OD1 3.42Å; H62-D197 IonicContact CE1-OD1 2.83Å; H62-D197 IonicContact CE1-OD2 3.43Å; H62-D197 PolarHBondContact CE1-OD2 3.45Å; H62-D197 IonicContact NE2-OD1 2.81Å; H62-D197 PolarHBondContact NE2-OD1 3.02Å; H62-D197 IonicContact NE2-OD2 3.74Å; H62-D197 PolarHBondContact NE2-OD2 2.79Å
63A95.8Very high98.2Very high73 Ų7323.4 Ų23.460%0.60314%0.142SC*.SBendtrans59.929.2-176.300000113.7E37 S123E37-A63 PolarHBondContact OE1-N 3.49Å; A63-S123 WeakPolarHBondContact O-CB 3.18Å
64G96.5Very high98.2Very high25 Ų2528 Ų2826%0.25816%0.163SC..SBendtrans131.7154.1-175.800000112E37 H62 S123E37-G64 WeakPolarHBondContact OE1-CA 3.45Å; E37-G64 PolarHBondContact OE1-N 3.32Å; H62-G64 PolarHBondContact O-N 2.88Å; G64-S123 WeakPolarHBondContact O-CB 3.48Å
65S97.3Very high98.2Very high35 Ų3528 Ų2825%0.24516%0.163CC..SBendtrans-90.6-5.6178.463.50000114V67 S68 E69S65-V67 PolarHBondContact O-N 3.31Å; S65-S68 PolarHBondContact O-N 3.28Å; S65-S68 PolarHBondContact O-OG 2.99Å; S65-E69 VanDerWaalsContact CB-OE1 3.3Å; S65-E69 WeakPolarHBondContact CB-OE1 3.34Å; S65-E69 WeakPolarHBondContact O-CB 3.44Å; S65-E69 VanDerWaalsContact O-CG 3.25Å; S65-E69 WeakPolarHBondContact O-CG 3.19Å; S65-E69 PolarHBondContact O-N 2.86Å; S65-E69 PolarHBondContact OG-OE1 2.79Å
66R98Very high98.2Very high90 Ų9028.2 Ų28.234%0.3416%0.164SC..Hα-helixtrans-61.6-47.1-170.1173.5153.7169.5-1596.5112.6E69 L70 D117 D118 E121R66-E69 PolarHBondContact O-N 3.26Å; R66-L70 HydrophobicContact CG-CD1 3.75Å; R66-L70 HydrophobicContact CG-CG 4.36Å; R66-L70 WeakPolarHBondContact O-CB 3.35Å; R66-L70 VanDerWaalsContact O-CG 3.26Å; R66-L70 WeakPolarHBondContact O-CG 3.32Å; R66-L70 PolarHBondContact O-N 3.02Å; R66-D117 IonicContact NH2-OD2 2.81Å; R66-D117 PolarHBondContact NH2-OD2 2.9Å; R66-D118 IonicContact CZ-OD2 3.46Å; R66-D118 IonicContact NH1-OD2 2.79Å; R66-D118 PolarHBondContact NH1-OD2 3.39Å; R66-D118 IonicContact NH2-OD2 3.36Å; R66-E121 WeakPolarHBondContact CD-OE2 3.3Å; R66-E121 WeakPolarHBondContact CG-OE2 3.45Å; R66-E121 IonicContact NE-OE2 3.02Å; R66-E121 IonicContact NH1-OE2 3.74Å
67V98.5Very high98.2Very high1 Ų131.9 Ų31.91%0.00618%0.184CC..Hα-helixtrans-66.1-42-179.4174.60000111.2S65 L70 C71 L114 E121 S123 L195S65-V67 PolarHBondContact O-N 3.31Å; V67-L70 PolarHBondContact O-N 3.49Å; V67-C71 WeakPolarHBondContact O-CB 3.45Å; V67-C71 PolarHBondContact O-N 2.81Å; V67-C71 PolarHBondContact O-SG 3.34Å; V67-L114 HydrophobicContact CG1-CD1 4.03Å; V67-E121 HydrophobicContact CG2-CG 3.95Å; V67-S123 WeakPolarHBondContact CG2-O 3.47Å; V67-S123 WeakPolarHBondContact CG2-OG 3.41Å; V67-L195 HydrophobicContact CG1-CB 4.06Å
68S98.7Very high98.2Very high0 Ų032.7 Ų32.70%019%0.19CC..Hα-helixtrans-64.3-42.9177.658.90000112E37 A39 S65 C71 A72 S125E37-S68 WeakPolarHBondContact O-CB 3.39Å; E37-S68 PolarHBondContact O-OG 3.47Å; A39-S68 VanDerWaalsContact CB-C 3.44Å; A39-S68 WeakPolarHBondContact CB-O 3.24Å; S65-S68 PolarHBondContact O-N 3.28Å; S65-S68 PolarHBondContact O-OG 2.99Å; S68-C71 WeakPolarHBondContact O-CB 3.25Å; S68-C71 PolarHBondContact O-N 3.36Å; S68-A72 PolarHBondContact O-N 2.9Å; S68-S125 WeakPolarHBondContact CA-OG 3.2Å; S68-S125 VanDerWaalsContact CB-OG 3.23Å; S68-S125 WeakPolarHBondContact CB-OG 3.39Å
69E98.6Very high98.2Very high110 Ų11032.7 Ų32.751%0.51419%0.19SC..Hα-helixtrans-61.1-43.6174.5-74171.1-160.600112.1S65 R66 A72 A73S65-E69 VanDerWaalsContact CB-OE1 3.3Å; S65-E69 WeakPolarHBondContact CB-OE1 3.34Å; S65-E69 WeakPolarHBondContact O-CB 3.44Å; S65-E69 VanDerWaalsContact O-CG 3.25Å; S65-E69 WeakPolarHBondContact O-CG 3.19Å; S65-E69 PolarHBondContact O-N 2.86Å; S65-E69 PolarHBondContact OG-OE1 2.79Å; R66-E69 PolarHBondContact O-N 3.26Å; E69-A72 PolarHBondContact O-N 3.28Å; E69-A73 WeakPolarHBondContact O-CB 3.39Å; E69-A73 PolarHBondContact O-N 2.97Å
70L98.5Very high98.1Very high26 Ų2633.4 Ų33.414%0.13619%0.194CC..Hα-helixtrans-66.3-39.1176.3-73171.6000111.6R66 V67 A73 K74 F110 L114R66-L70 HydrophobicContact CG-CD1 3.75Å; R66-L70 HydrophobicContact CG-CG 4.36Å; R66-L70 WeakPolarHBondContact O-CB 3.35Å; R66-L70 VanDerWaalsContact O-CG 3.26Å; R66-L70 WeakPolarHBondContact O-CG 3.32Å; R66-L70 PolarHBondContact O-N 3.02Å; V67-L70 PolarHBondContact O-N 3.49Å; L70-A73 PolarHBondContact O-N 3.48Å; L70-K74 HydrophobicContact CD2-CD 4.12Å; L70-K74 WeakPolarHBondContact O-CB 3.46Å; L70-K74 PolarHBondContact O-N 3.37Å; L70-F110 HydrophobicContact CB-CZ 4.09Å; L70-F110 WeakPolarHBondContact O-CZ 3.47Å; L70-L114 HydrophobicContact CB-CD2 3.9Å; L70-L114 HydrophobicContact CD1-CD2 3.46Å; L70-L114 VanDerWaalsContact CD1-CD2 3.46Å; L70-L114 HydrophobicContact CG-CD2 4.29Å
71C98.7Very high98.1Very high0 Ų038.7 Ų38.70%022%0.222CC..Hα-helixtrans-56.8-50.5172.7-69.60000110.8F59 V67 S68 A73 L75 F110 L195F59-C71 HydrophobicContact CB-CB 4.28Å; F59-C71 HydrophobicContact CD1-CB 3.37Å; F59-C71 HydrophobicContact CD2-CB 4.21Å; F59-C71 HydrophobicContact CE1-CB 3.64Å; F59-C71 HydrophobicContact CE2-CB 4.44Å; F59-C71 HydrophobicContact CG-CB 3.68Å; F59-C71 HydrophobicContact CZ-CB 4.17Å; V67-C71 WeakPolarHBondContact O-CB 3.45Å; V67-C71 PolarHBondContact O-N 2.81Å; V67-C71 PolarHBondContact O-SG 3.34Å; S68-C71 WeakPolarHBondContact O-CB 3.25Å; S68-C71 PolarHBondContact O-N 3.36Å; C71-A73 VanDerWaalsContact C-N 3.27Å; C71-A73 PolarHBondContact O-N 3Å; C71-L75 WeakPolarHBondContact O-CB 3.33Å; C71-L75 PolarHBondContact O-N 3.29Å; C71-L75 VanDerWaalsContact O-N 3.09Å; C71-F110 HydrophobicContact CB-CE1 4.41Å; C71-L195 WeakPolarHBondContact SG-CD1 3.36Å
72A98.5Very high98.1Very high18 Ų1839.2 Ų39.215%0.14923%0.225CC..Hα-helixtrans-59.6-37.4178.200000113A39 H40 F59 S68 E69A39-A72 HydrophobicContact CB-CB 4Å; H40-A72 WeakPolarHBondContact O-CB 3.12Å; F59-A72 HydrophobicContact CD2-CB 3.79Å; F59-A72 HydrophobicContact CE2-CB 3.79Å; S68-A72 PolarHBondContact O-N 2.9Å; E69-A72 PolarHBondContact O-N 3.28Å
73A98.4Very high98.1Very high58 Ų5843.9 Ų43.948%0.47925%0.247SC..Hα-helixtrans-80.6-38.9-177.200000114E69 L70 C71E69-A73 WeakPolarHBondContact O-CB 3.39Å; E69-A73 PolarHBondContact O-N 2.97Å; L70-A73 PolarHBondContact O-N 3.48Å; C71-A73 VanDerWaalsContact C-N 3.27Å; C71-A73 PolarHBondContact O-N 3Å
74K98.4Very high98.2Very high106 Ų10641.9 Ų41.946%0.46123%0.225SC..Hα-helixtrans-130.5-15.8-160-63.8-179.6-175.9176.20115.6L70 L76 D77 A78 F110L70-K74 HydrophobicContact CD2-CD 4.12Å; L70-K74 WeakPolarHBondContact O-CB 3.46Å; L70-K74 PolarHBondContact O-N 3.37Å; K74-L76 VanDerWaalsContact C-N 3.29Å; K74-L76 PolarHBondContact O-N 2.93Å; K74-D77 PolarHBondContact O-N 2.69Å; K74-D77 VanDerWaalsContact O-N 3.11Å; K74-A78 PolarHBondContact O-N 3.5Å; K74-A78 VanDerWaalsContact O-N 3.14Å; K74-F110 HydrophobicContact CB-CD2 4.49Å; K74-F110 HydrophobicContact CB-CE2 3.56Å; K74-F110 HydrophobicContact CB-CZ 4.14Å
75L98.7Very high98.3Very high0 Ų040.8 Ų40.80%021%0.213CC..Hα-helixtrans-61.1-38.8-176.6178.560.5000112.2F59 C71 D77 A78 I79 F107 F110 A127 I129 L195F59-L75 HydrophobicContact CE1-CD2 3.82Å; F59-L75 HydrophobicContact CZ-CD2 4.42Å; C71-L75 WeakPolarHBondContact O-CB 3.33Å; C71-L75 PolarHBondContact O-N 3.29Å; C71-L75 VanDerWaalsContact O-N 3.09Å; L75-D77 VanDerWaalsContact C-N 3.32Å; L75-D77 PolarHBondContact O-N 3.34Å; L75-A78 PolarHBondContact O-N 3.27Å; L75-I79 HydrophobicContact CD1-CD1 4.33Å; L75-I79 HydrophobicContact CD1-CG1 4.47Å; L75-I79 HydrophobicContact CG-CD1 4.06Å; L75-I79 WeakPolarHBondContact O-CG1 3.4Å; L75-I79 PolarHBondContact O-N 3.41Å; L75-F107 HydrophobicContact CD1-CD2 4.01Å; L75-F107 HydrophobicContact CD1-CE2 4.21Å; L75-F107 HydrophobicContact CD1-CG 4.31Å; L75-F107 HydrophobicContact CD2-CE1 4.3Å; L75-F107 HydrophobicContact CD2-CE2 3.95Å; L75-F107 HydrophobicContact CD2-CZ 3.81Å; L75-F107 HydrophobicContact CG-CE2 4.4Å; L75-F110 HydrophobicContact CB-CD1 4.35Å; L75-F110 HydrophobicContact CB-CE1 4.34Å; L75-F110 HydrophobicContact CD1-CB 3.87Å; L75-F110 HydrophobicContact CD1-CD1 3.75Å; L75-F110 HydrophobicContact CD1-CG 3.86Å; L75-A127 HydrophobicContact CD2-CB 4.39Å; L75-I129 HydrophobicContact CD2-CG2 4.25Å; L75-L195 HydrophobicContact CD1-CD1 4.4Å; L75-L195 HydrophobicContact CD2-CD1 4.26Å
76L98.7Very high98.2Very high5 Ų545 Ų453%0.02623%0.229CC..Hα-helixtrans-57.2-46.6175.3176.862000111.7K43 L46 Y55 K74 A78 I79 L80 F131K43-L76 HydrophobicContact CD-CD2 3.76Å; L46-L76 HydrophobicContact CD1-CD1 4.22Å; L46-L76 HydrophobicContact CD2-CD2 3.66Å; Y55-L76 HydrophobicContact CD1-CB 4.05Å; Y55-L76 HydrophobicContact CD1-CD1 4.08Å; Y55-L76 HydrophobicContact CD1-CD2 3.89Å; Y55-L76 HydrophobicContact CD1-CG 4.22Å; Y55-L76 HydrophobicContact CD2-CD1 3.84Å; Y55-L76 HydrophobicContact CE1-CB 3.7Å; Y55-L76 HydrophobicContact CE1-CD1 4.32Å; Y55-L76 HydrophobicContact CE1-CD2 4.4Å; Y55-L76 HydrophobicContact CE1-CG 4.36Å; Y55-L76 HydrophobicContact CE2-CD1 4.11Å; Y55-L76 HydrophobicContact CG-CD1 3.8Å; Y55-L76 HydrophobicContact CG-CD2 4.19Å; Y55-L76 HydrophobicContact CG-CG 4.43Å; K74-L76 VanDerWaalsContact C-N 3.29Å; K74-L76 PolarHBondContact O-N 2.93Å; L76-A78 VanDerWaalsContact C-N 3.31Å; L76-A78 PolarHBondContact O-N 2.87Å; L76-I79 WeakPolarHBondContact O-CB 3.48Å; L76-I79 PolarHBondContact O-N 3.27Å; L76-I79 VanDerWaalsContact O-N 3.14Å; L76-L80 HydrophobicContact CD1-CD1 3.93Å; L76-L80 HydrophobicContact CD1-CD2 4.21Å; L76-L80 HydrophobicContact CD1-CG 3.83Å; L76-L80 HydrophobicContact CD2-CD1 4.42Å; L76-L80 HydrophobicContact CG-CD1 3.94Å; L76-L80 HydrophobicContact CG-CG 4.17Å; L76-L80 WeakPolarHBondContact O-CG 3.47Å; L76-L80 PolarHBondContact O-N 3.02Å; L76-F131 HydrophobicContact CD1-CE1 3.6Å; L76-F131 HydrophobicContact CD1-CZ 3.75Å
77D98.2Very high98.1Very high77 Ų7746.9 Ų46.941%0.41224%0.24SC..Hα-helixtrans-65.1-39.2-177.5-63.2-19.4000110.5K74 L75 I79 L80 N81K74-D77 PolarHBondContact O-N 2.69Å; K74-D77 VanDerWaalsContact O-N 3.11Å; L75-D77 VanDerWaalsContact C-N 3.32Å; L75-D77 PolarHBondContact O-N 3.34Å; D77-I79 VanDerWaalsContact C-N 3.31Å; D77-I79 PolarHBondContact O-N 3.45Å; D77-L80 PolarHBondContact O-N 3.15Å; D77-N81 VanDerWaalsContact O-CB 3.26Å; D77-N81 WeakPolarHBondContact O-CB 3.47Å; D77-N81 PolarHBondContact O-N 2.97Å; D77-N81 PolarHBondContact O-ND2 2.97Å
78A98.4Very high98Very high16 Ų1647.5 Ų47.513%0.13224%0.243CC..Hα-helixtrans-59.9-40.3173.500000112.2K74 L75 L76 T82 F110K74-A78 PolarHBondContact O-N 3.5Å; K74-A78 VanDerWaalsContact O-N 3.14Å; L75-A78 PolarHBondContact O-N 3.27Å; L76-A78 VanDerWaalsContact C-N 3.31Å; L76-A78 PolarHBondContact O-N 2.87Å; A78-T82 WeakPolarHBondContact O-CG2 3.29Å; A78-F110 HydrophobicContact CB-CB 3.8Å; A78-F110 HydrophobicContact CB-CD2 3.95Å; A78-F110 HydrophobicContact CB-CG 4.25Å
79I98.7Very high97.7Very high0 Ų050.2 Ų50.20%026%0.262CS..Hα-helixtrans-67.1-51176.1-66.2164.5000111.1L75 L76 D77 N81 T82 F85 I103 F107 I129 F131L75-I79 HydrophobicContact CD1-CD1 4.33Å; L75-I79 HydrophobicContact CD1-CG1 4.47Å; L75-I79 HydrophobicContact CG-CD1 4.06Å; L75-I79 WeakPolarHBondContact O-CG1 3.4Å; L75-I79 PolarHBondContact O-N 3.41Å; L76-I79 WeakPolarHBondContact O-CB 3.48Å; L76-I79 PolarHBondContact O-N 3.27Å; L76-I79 VanDerWaalsContact O-N 3.14Å; D77-I79 VanDerWaalsContact C-N 3.31Å; D77-I79 PolarHBondContact O-N 3.45Å; I79-N81 PolarHBondContact O-N 3.32Å; I79-T82 WeakPolarHBondContact O-CB 3.28Å; I79-T82 WeakPolarHBondContact O-CG2 3.15Å; I79-T82 PolarHBondContact O-N 3.48Å; I79-T82 VanDerWaalsContact O-N 3.16Å; I79-T82 PolarHBondContact O-OG1 3.21Å; I79-F85 HydrophobicContact CG2-CD2 3.91Å; I79-F85 HydrophobicContact CG2-CE1 4.11Å; I79-F85 HydrophobicContact CG2-CE2 3.46Å; I79-F85 VanDerWaalsContact CG2-CE2 3.46Å; I79-F85 HydrophobicContact CG2-CG 4.42Å; I79-F85 HydrophobicContact CG2-CZ 3.57Å; I79-F85 WeakPolarHBondContact O-CD2 3.23Å; I79-I103 HydrophobicContact CD1-CG2 4.42Å; I79-I103 HydrophobicContact CG2-CG1 4.08Å; I79-F107 HydrophobicContact CD1-CD2 4.27Å; I79-F107 HydrophobicContact CD1-CE2 4.03Å; I79-I129 HydrophobicContact CD1-CD1 3.72Å; I79-F131 HydrophobicContact CD1-CE2 4.46Å; I79-F131 HydrophobicContact CD1-CZ 4.42Å; I79-F131 HydrophobicContact CG2-CE2 4.43Å; I79-F131 HydrophobicContact CG2-CZ 4.1Å
80L98.1Very high97.3Very high16 Ų1649.2 Ų49.28%0.08426%0.256CS..Hα-helixtrans-65.1-27.9-176.7-64.5-175.7000112.5F50 L76 D77 T82 F85 Q86F50-L80 HydrophobicContact CD1-CD2 4.43Å; F50-L80 HydrophobicContact CD2-CD1 4.43Å; F50-L80 HydrophobicContact CD2-CD2 4.01Å; F50-L80 HydrophobicContact CE1-CD2 4.34Å; F50-L80 HydrophobicContact CE2-CD2 3.93Å; F50-L80 HydrophobicContact CG-CD2 4.27Å; F50-L80 HydrophobicContact CZ-CD2 4.11Å; L76-L80 HydrophobicContact CD1-CD1 3.93Å; L76-L80 HydrophobicContact CD1-CD2 4.21Å; L76-L80 HydrophobicContact CD1-CG 3.83Å; L76-L80 HydrophobicContact CD2-CD1 4.42Å; L76-L80 HydrophobicContact CG-CD1 3.94Å; L76-L80 HydrophobicContact CG-CG 4.17Å; L76-L80 WeakPolarHBondContact O-CG 3.47Å; L76-L80 PolarHBondContact O-N 3.02Å; D77-L80 PolarHBondContact O-N 3.15Å; L80-T82 VanDerWaalsContact C-N 3.32Å; L80-F85 HydrophobicContact CD2-CD1 3.57Å; L80-F85 HydrophobicContact CD2-CE1 3.86Å; L80-F85 HydrophobicContact CD2-CG 4.48Å; L80-F85 WeakPolarHBondContact O-CB 3.49Å; L80-Q86 PolarHBondContact O-NE2 3.43Å
81N97.6Very high96.9Very high120 Ų12055.6 Ų55.664%0.64229%0.29SS*.THydrogen-bonded Turntrans-82.7-2.1178.4-71.5-32.6000114.4D77 I79D77-N81 VanDerWaalsContact O-CB 3.26Å; D77-N81 WeakPolarHBondContact O-CB 3.47Å; D77-N81 PolarHBondContact O-N 2.97Å; D77-N81 PolarHBondContact O-ND2 2.97Å; I79-N81 PolarHBondContact O-N 3.32Å
82T98.4Very high96.4Very high13 Ų1363.4 Ų63.48%0.0832%0.324CS..SBendtrans-65.8148.217459.30000111.9A78 I79 L80 E84 F85 Q86 G102 N105A78-T82 WeakPolarHBondContact O-CG2 3.29Å; I79-T82 WeakPolarHBondContact O-CB 3.28Å; I79-T82 WeakPolarHBondContact O-CG2 3.15Å; I79-T82 PolarHBondContact O-N 3.48Å; I79-T82 VanDerWaalsContact O-N 3.16Å; I79-T82 PolarHBondContact O-OG1 3.21Å; L80-T82 VanDerWaalsContact C-N 3.32Å; T82-E84 PolarHBondContact O-N 3.39Å; T82-E84 VanDerWaalsContact O-N 3.15Å; T82-F85 PolarHBondContact O-N 2.97Å; T82-F85 VanDerWaalsContact O-N 3.16Å; T82-F85 WeakPolarHBondContact OG1-CD2 3.47Å; T82-F85 PolarHBondContact OG1-N 3.23Å; T82-Q86 VanDerWaalsContact O-CG 3.31Å; T82-Q86 WeakPolarHBondContact O-CG 3.23Å; T82-Q86 PolarHBondContact O-N 3.1Å; T82-G102 WeakPolarHBondContact CG2-O 3.24Å; T82-G102 WeakPolarHBondContact OG1-CA 3.28Å; T82-N105 HydrophobicContact CG2-CB 3.99Å
83E97.9Very high96.1Very high132 Ų13270 Ų7062%0.61735%0.352SS*.Hα-helixtrans-56.2-33.2176.9-71.6-167.6-163.900112.4K87E83-K87 WeakPolarHBondContact O-CB 3.39Å; E83-K87 WeakPolarHBondContact O-CD 3.39Å; E83-K87 WeakPolarHBondContact O-CG 3.38Å; E83-K87 PolarHBondContact O-N 3.49Å; E83-K87 VanDerWaalsContact O-N 3.1Å; E83-K87 IonicContact OE2-NZ 3.6Å; E83-K87 PolarHBondContact OE2-NZ 2.93Å
84E98.1Very high96Very high32 Ų3268.2 Ų68.215%0.1533%0.334CS..Hα-helixtrans-66.5-45.8178.7-66.779.9-170.800112.4T82 Q86 K87 L88 L98 K101 N105T82-E84 PolarHBondContact O-N 3.39Å; T82-E84 VanDerWaalsContact O-N 3.15Å; E84-Q86 VanDerWaalsContact C-N 3.33Å; E84-K87 PolarHBondContact O-N 2.92Å; E84-L88 PolarHBondContact O-N 2.81Å; E84-L98 HydrophobicContact CB-CB 4.37Å; E84-L98 HydrophobicContact CB-CD2 4.18Å; E84-L98 WeakPolarHBondContact CB-O 3.39Å; E84-L98 HydrophobicContact CG-CD2 4.08Å; E84-K101 HydrophobicContact CG-CB 3.78Å; E84-N105 PolarHBondContact OE1-ND2 3.44Å; E84-N105 PolarHBondContact OE2-ND2 3.33Å; E84-N105 VanDerWaalsContact OE2-ND2 3.08Å
85F97.1Very high96Very high2 Ų266.7 Ų66.71%0.00933%0.331CS..Hα-helixtrans-66-37.3176.3-92.4-103.9000111.7F50 W53 I79 L80 T82 K87 L88 V99 I103F50-F85 AromaticContact CE1-CD1 3.68Å; F50-F85 HydrophobicContact CE1-CD1 3.68Å; F50-F85 HydrophobicContact CE1-CE1 4.22Å; F50-F85 HydrophobicContact CZ-CB 4.3Å; F50-F85 AromaticContact CZ-CD1 3.71Å; F50-F85 HydrophobicContact CZ-CD1 3.71Å; F50-F85 HydrophobicContact CZ-CG 4.49Å; W53-F85 HydrophobicContact CH2-CE1 4.44Å; W53-F85 HydrophobicContact CZ3-CE1 4Å; W53-F85 HydrophobicContact CZ3-CZ 4.48Å; I79-F85 HydrophobicContact CG2-CD2 3.91Å; I79-F85 HydrophobicContact CG2-CE1 4.11Å; I79-F85 HydrophobicContact CG2-CE2 3.46Å; I79-F85 VanDerWaalsContact CG2-CE2 3.46Å; I79-F85 HydrophobicContact CG2-CG 4.42Å; I79-F85 HydrophobicContact CG2-CZ 3.57Å; I79-F85 WeakPolarHBondContact O-CD2 3.23Å; L80-F85 HydrophobicContact CD2-CD1 3.57Å; L80-F85 HydrophobicContact CD2-CE1 3.86Å; L80-F85 HydrophobicContact CD2-CG 4.48Å; L80-F85 WeakPolarHBondContact O-CB 3.49Å; T82-F85 PolarHBondContact O-N 2.97Å; T82-F85 VanDerWaalsContact O-N 3.16Å; T82-F85 WeakPolarHBondContact OG1-CD2 3.47Å; T82-F85 PolarHBondContact OG1-N 3.23Å; F85-K87 PolarHBondContact O-N 3.45Å; F85-L88 HydrophobicContact CB-CD1 4.46Å; F85-L88 HydrophobicContact CD1-CD1 3.83Å; F85-L88 HydrophobicContact CE1-CD1 4.2Å; F85-L88 HydrophobicContact CG-CD1 4.1Å; F85-L88 WeakPolarHBondContact O-CB 3.15Å; F85-L88 PolarHBondContact O-N 3.02Å; F85-V99 HydrophobicContact CZ-CG1 4.36Å; F85-I103 HydrophobicContact CE2-CG1 3.88Å; F85-I103 HydrophobicContact CZ-CG1 3.95Å
86Q96.1Very high95.9Very high124 Ų12469.2 Ų69.258%0.57935%0.346SS*.Hα-helixtrans-67.1-23.5176.6-64.1-62.4-47.100113.2L80 T82 E84L80-Q86 PolarHBondContact O-NE2 3.43Å; T82-Q86 VanDerWaalsContact O-CG 3.31Å; T82-Q86 WeakPolarHBondContact O-CG 3.23Å; T82-Q86 PolarHBondContact O-N 3.1Å; E84-Q86 VanDerWaalsContact C-N 3.33Å
87K96.2Very high95.9Very high128 Ų12872.9 Ų72.956%0.55737%0.369SS*.THydrogen-bonded Turntrans-89.3-5.4176.9-72.6167.2-167.7160.80113.4E83 E84 F85 S89 L98E83-K87 WeakPolarHBondContact O-CB 3.39Å; E83-K87 WeakPolarHBondContact O-CD 3.39Å; E83-K87 WeakPolarHBondContact O-CG 3.38Å; E83-K87 PolarHBondContact O-N 3.49Å; E83-K87 VanDerWaalsContact O-N 3.1Å; E83-K87 IonicContact OE2-NZ 3.6Å; E83-K87 PolarHBondContact OE2-NZ 2.93Å; E84-K87 PolarHBondContact O-N 2.92Å; F85-K87 PolarHBondContact O-N 3.45Å; K87-S89 PolarHBondContact O-N 2.65Å; K87-L98 HydrophobicContact CB-CD1 4.32Å
88L95.8Very high95.9Very high15 Ų1571.1 Ų71.18%0.07936%0.36CS..  trans-62.4131.5178.8-71.2172.5000110.8F50 W53 E84 F85 F90 L94 D95 L98 V99F50-L88 HydrophobicContact CE1-CD1 3.98Å; F50-L88 HydrophobicContact CZ-CD1 4.48Å; W53-L88 HydrophobicContact CH2-CD1 4.35Å; E84-L88 PolarHBondContact O-N 2.81Å; F85-L88 HydrophobicContact CB-CD1 4.46Å; F85-L88 HydrophobicContact CD1-CD1 3.83Å; F85-L88 HydrophobicContact CE1-CD1 4.2Å; F85-L88 HydrophobicContact CG-CD1 4.1Å; F85-L88 WeakPolarHBondContact O-CB 3.15Å; F85-L88 PolarHBondContact O-N 3.02Å; L88-F90 HydrophobicContact CB-CZ 4.43Å; L88-L94 HydrophobicContact CD2-CD1 4.34Å; L88-D95 HydrophobicContact CD2-CB 4.36Å; L88-L98 HydrophobicContact CD2-CB 3.79Å; L88-L98 HydrophobicContact CD2-CD1 4.26Å; L88-V99 HydrophobicContact CD1-CG2 4.09Å; L88-V99 HydrophobicContact CD2-CG2 3.98Å
89S92.4Very high95.9Very high57 Ų5770.3 Ų70.340%0.39935%0.353SS..  trans-103.5130174177.80000109.3K87K87-S89 PolarHBondContact O-N 2.65Å
90F91.4Very high95.9Very high88 Ų8875.2 Ų75.239%0.38638%0.375SS..SBendtrans-95.3-2.1-179.6-57.4-86.1000113.4P49 F50 W53 L88 K92P49-F90 HydrophobicContact CB-CD2 4.01Å; P49-F90 HydrophobicContact CB-CE2 3.5Å; P49-F90 HydrophobicContact CB-CZ 4.04Å; P49-F90 HydrophobicContact CG-CD2 4.39Å; P49-F90 HydrophobicContact CG-CE2 3.44Å; P49-F90 VanDerWaalsContact CG-CE2 3.44Å; P49-F90 HydrophobicContact CG-CZ 3.84Å; F50-F90 AromaticContact CD1-CE1 3.89Å; F50-F90 HydrophobicContact CD1-CE1 3.89Å; F50-F90 AromaticContact CD1-CZ 3.63Å; F50-F90 HydrophobicContact CD1-CZ 3.63Å; F50-F90 HydrophobicContact CE1-CE1 4.03Å; F50-F90 AromaticContact CE1-CZ 3.47Å; F50-F90 HydrophobicContact CE1-CZ 3.47Å; F50-F90 VanDerWaalsContact CE1-CZ 3.47Å; F50-F90 HydrophobicContact CG-CZ 4.26Å; F50-F90 AromaticContact CZ-CZ 3.96Å; F50-F90 HydrophobicContact CZ-CZ 3.96Å; W53-F90 HydrophobicContact CZ2-CE1 4.45Å; W53-F90 AromaticContact NE1-CE1 3.8Å; L88-F90 HydrophobicContact CB-CZ 4.43Å; F90-K92 VanDerWaalsContact C-N 3.33Å
91D88.4Confident95.9Very high160 Ų16079.9 Ų79.986%0.85639%0.394SS*.SBendtrans-88.6-2.8176.7-59.8-40.8000112.8
92K88.5Confident95.9Very high164 Ų16474.1 Ų74.171%0.71336%0.363SS*.SBendtrans-128.8173.1-177.3-64.4-177.9-177.41760110F90F90-K92 VanDerWaalsContact C-N 3.33Å
93E93.6Very high96Very high158 Ų15873.5 Ų73.574%0.73836%0.36SS*.SBendtrans-55144.5167.3-170.7175.8-178.700110.9D95E93-D95 PolarHBondContact O-N 2.84Å
94L96.3Very high96Very high20 Ų2068.5 Ų68.511%0.10534%0.337CS..  trans-62.2120.1-176.7-178.661.7000110.6W53 L88 T96 V99 T133 H136 I138W53-L94 HydrophobicContact CH2-CD1 3.85Å; W53-L94 HydrophobicContact CH2-CD2 4.21Å; W53-L94 HydrophobicContact CZ2-CD1 3.57Å; W53-L94 HydrophobicContact CZ2-CD2 4.23Å; L88-L94 HydrophobicContact CD2-CD1 4.34Å; L94-T96 PolarHBondContact O-N 3.39Å; L94-V99 HydrophobicContact CD1-CG2 3.78Å; L94-V99 HydrophobicContact CD2-CG2 4.3Å; L94-V99 HydrophobicContact CG-CG2 4.07Å; L94-T133 HydrophobicContact CD2-CG2 4.34Å; L94-H136 HydrophobicContact CD2-CB 4.11Å; L94-I138 HydrophobicContact CD2-CD1 4.21Å
95D97.5Very high96Very high74 Ų7470 Ų7040%0.39635%0.346SS..  trans-73.490.6173.6-170.6-27.9000110.4L88 E93 T97 L98 V99L88-D95 HydrophobicContact CD2-CB 4.36Å; E93-D95 PolarHBondContact O-N 2.84Å; D95-T97 PolarHBondContact O-N 2.9Å; D95-T97 WeakPolarHBondContact OD1-CA 3.48Å; D95-T97 VanDerWaalsContact OD1-CB 3.24Å; D95-T97 WeakPolarHBondContact OD1-CB 3.43Å; D95-T97 PolarHBondContact OD1-N 3.48Å; D95-L98 HydrophobicContact CB-CB 4.16Å; D95-L98 HydrophobicContact CB-CD1 4.04Å; D95-L98 HydrophobicContact CB-CG 4.2Å; D95-L98 PolarHBondContact O-N 3.03Å; D95-L98 PolarHBondContact OD1-N 3.13Å; D95-L98 WeakPolarHBondContact OD2-CD1 3.46Å; D95-L98 WeakPolarHBondContact OD2-CG 3.42Å; D95-V99 WeakPolarHBondContact O-CG2 3.45Å; D95-V99 PolarHBondContact O-N 3.25Å
96T97.2Very high96.1Very high52 Ų5269.9 Ų69.932%0.31935%0.345SS..Hα-helixtrans-62.3-22.4179.160.20000113.1L94 K100 I221L94-T96 PolarHBondContact O-N 3.39Å; T96-K100 VanDerWaalsContact O-CB 3.31Å; T96-K100 WeakPolarHBondContact O-CB 3.29Å; T96-K100 PolarHBondContact O-N 3.34Å; T96-I221 HydrophobicContact CG2-CD1 4.43Å; T96-I221 HydrophobicContact CG2-CG2 3.87Å
97T97.8Very high96.2Very high82 Ų8264 Ų6450%0.50332%0.318SS..Hα-helixtrans-72.1-45.1175.8-58.40000110.8D95 K101D95-T97 PolarHBondContact O-N 2.9Å; D95-T97 WeakPolarHBondContact OD1-CA 3.48Å; D95-T97 VanDerWaalsContact OD1-CB 3.24Å; D95-T97 WeakPolarHBondContact OD1-CB 3.43Å; D95-T97 PolarHBondContact OD1-N 3.48Å; T97-K101 HydrophobicContact CG2-CD 4.48Å; T97-K101 WeakPolarHBondContact O-CG 3.37Å; T97-K101 PolarHBondContact O-N 2.93Å; T97-K101 VanDerWaalsContact O-N 3.11Å
98L98Very high96.4Very high40 Ų4059.2 Ų59.221%0.20930%0.298CS..Hα-helixtrans-63.6-46.2173.6-72.6178.1000111E84 K87 L88 D95 K100 K101 G102E84-L98 HydrophobicContact CB-CB 4.37Å; E84-L98 HydrophobicContact CB-CD2 4.18Å; E84-L98 WeakPolarHBondContact CB-O 3.39Å; E84-L98 HydrophobicContact CG-CD2 4.08Å; K87-L98 HydrophobicContact CB-CD1 4.32Å; L88-L98 HydrophobicContact CD2-CB 3.79Å; L88-L98 HydrophobicContact CD2-CD1 4.26Å; D95-L98 HydrophobicContact CB-CB 4.16Å; D95-L98 HydrophobicContact CB-CD1 4.04Å; D95-L98 HydrophobicContact CB-CG 4.2Å; D95-L98 PolarHBondContact O-N 3.03Å; D95-L98 PolarHBondContact OD1-N 3.13Å; D95-L98 WeakPolarHBondContact OD2-CD1 3.46Å; D95-L98 WeakPolarHBondContact OD2-CG 3.42Å; L98-K100 PolarHBondContact O-N 2.97Å; L98-K101 PolarHBondContact O-N 3.01Å; L98-G102 PolarHBondContact O-N 3.11Å
99V98.3Very high96.5Very high0 Ų059.7 Ų59.70%030%0.304CS..Hα-helixtrans-55.6-50.1176.9172.20000111.2W53 F85 L88 L94 D95 K101 G102 I103 I138 I221W53-V99 HydrophobicContact CH2-CG2 4Å; F85-V99 HydrophobicContact CZ-CG1 4.36Å; L88-V99 HydrophobicContact CD1-CG2 4.09Å; L88-V99 HydrophobicContact CD2-CG2 3.98Å; L94-V99 HydrophobicContact CD1-CG2 3.78Å; L94-V99 HydrophobicContact CD2-CG2 4.3Å; L94-V99 HydrophobicContact CG-CG2 4.07Å; D95-V99 WeakPolarHBondContact O-CG2 3.45Å; D95-V99 PolarHBondContact O-N 3.25Å; V99-K101 PolarHBondContact O-N 2.9Å; V99-G102 PolarHBondContact O-N 3.49Å; V99-I103 HydrophobicContact CG1-CD1 3.91Å; V99-I103 WeakPolarHBondContact O-CG1 3.33Å; V99-I103 PolarHBondContact O-N 3.38Å; V99-I138 HydrophobicContact CG1-CD1 3.76Å; V99-I138 HydrophobicContact CG1-CG1 4.26Å; V99-I138 HydrophobicContact CG1-CG2 4.19Å; V99-I221 HydrophobicContact CG1-CD1 4.41Å
100K98.6Very high96.8Very high103 Ų10357.3 Ų57.345%0.44829%0.287SS..Hα-helixtrans-57.7-49.5179.6179.4173.5-178.2175.40111.7T96 L98 I104 I219 I221T96-K100 VanDerWaalsContact O-CB 3.31Å; T96-K100 WeakPolarHBondContact O-CB 3.29Å; T96-K100 PolarHBondContact O-N 3.34Å; L98-K100 PolarHBondContact O-N 2.97Å; K100-I104 HydrophobicContact CG-CD1 4.11Å; K100-I104 WeakPolarHBondContact O-CG1 3.47Å; K100-I104 PolarHBondContact O-N 3.31Å; K100-I219 HydrophobicContact CB-CG2 4.39Å; K100-I219 HydrophobicContact CD-CB 4.46Å; K100-I219 HydrophobicContact CG-CB 4Å; K100-I219 HydrophobicContact CG-CG1 3.96Å; K100-I219 HydrophobicContact CG-CG2 4.18Å; K100-I221 HydrophobicContact CB-CD1 4.31Å
101K98.5Very high97.1Very high113 Ų11353.5 Ų53.549%0.49127%0.27SS..Hα-helixtrans-64.3-42.1179.7-75.7-179.7178.8-177.30112.2E84 T97 L98 V99 I104 N105E84-K101 HydrophobicContact CG-CB 3.78Å; T97-K101 HydrophobicContact CG2-CD 4.48Å; T97-K101 WeakPolarHBondContact O-CG 3.37Å; T97-K101 PolarHBondContact O-N 2.93Å; T97-K101 VanDerWaalsContact O-N 3.11Å; L98-K101 PolarHBondContact O-N 3.01Å; V99-K101 PolarHBondContact O-N 2.9Å; K101-I104 PolarHBondContact O-N 3.09Å; K101-N105 WeakPolarHBondContact O-CB 3.13Å; K101-N105 PolarHBondContact O-N 3.25Å
102G98.6Very high97.5Very high0 Ų052 Ų520%025%0.253CS..Hα-helixtrans-65-38.6179.400000113.3T82 L98 V99 G106T82-G102 WeakPolarHBondContact CG2-O 3.24Å; T82-G102 WeakPolarHBondContact OG1-CA 3.28Å; L98-G102 PolarHBondContact O-N 3.11Å; V99-G102 PolarHBondContact O-N 3.49Å; G102-G106 PolarHBondContact O-N 3Å
103I98.8Very high97.9Very high0 Ų048.6 Ų48.60%024%0.242CC..Hα-helixtrans-65.6-47.3174-63.4170.3000110.3I79 F85 V99 G106 F107 I129 F131 I138 A140 P217 I219I79-I103 HydrophobicContact CD1-CG2 4.42Å; I79-I103 HydrophobicContact CG2-CG1 4.08Å; F85-I103 HydrophobicContact CE2-CG1 3.88Å; F85-I103 HydrophobicContact CZ-CG1 3.95Å; V99-I103 HydrophobicContact CG1-CD1 3.91Å; V99-I103 WeakPolarHBondContact O-CG1 3.33Å; V99-I103 PolarHBondContact O-N 3.38Å; I103-G106 PolarHBondContact O-N 2.92Å; I103-F107 HydrophobicContact CG2-CD2 3.97Å; I103-F107 HydrophobicContact CG2-CE2 3.85Å; I103-F107 VanDerWaalsContact O-CD2 3.31Å; I103-F107 WeakPolarHBondContact O-CD2 3.32Å; I103-F107 PolarHBondContact O-N 3.22Å; I103-I129 HydrophobicContact CG2-CD1 4.27Å; I103-F131 HydrophobicContact CD1-CD2 4.08Å; I103-F131 HydrophobicContact CD1-CE2 4.02Å; I103-F131 HydrophobicContact CG1-CE2 4.19Å; I103-I138 HydrophobicContact CD1-CG2 3.54Å; I103-A140 HydrophobicContact CG2-CB 3.8Å; I103-P217 HydrophobicContact CG2-CG 4.4Å; I103-I219 HydrophobicContact CB-CD1 3.95Å; I103-I219 HydrophobicContact CG2-CD1 3.52Å
104I98.8Very high98.1Very high27 Ų2741.7 Ų41.714%0.13821%0.21CC..Hα-helixtrans-58.2-52.9177.6-67.7167.2000110.2K100 K101 G106 F107 L108 E216 P217 I219K100-I104 HydrophobicContact CG-CD1 4.11Å; K100-I104 WeakPolarHBondContact O-CG1 3.47Å; K100-I104 PolarHBondContact O-N 3.31Å; K101-I104 PolarHBondContact O-N 3.09Å; I104-G106 VanDerWaalsContact C-N 3.25Å; I104-G106 PolarHBondContact O-N 3.14Å; I104-F107 PolarHBondContact O-N 2.69Å; I104-F107 VanDerWaalsContact O-N 3.17Å; I104-L108 HydrophobicContact CG2-CD1 4.06Å; I104-L108 HydrophobicContact CG2-CG 4.31Å; I104-L108 WeakPolarHBondContact O-CG 3.49Å; I104-L108 PolarHBondContact O-N 3.46Å; I104-E216 HydrophobicContact CG2-CG 4.33Å; I104-P217 HydrophobicContact CG1-CG 4.24Å; I104-I219 HydrophobicContact CD1-CG1 4.25Å; I104-I219 HydrophobicContact CG1-CD1 4.37Å; I104-I219 HydrophobicContact CG1-CG1 3.99Å
105N98.7Very high98.1Very high62 Ų6242.4 Ų42.433%0.33222%0.219SC..Hα-helixtrans-60.8-35.1179.2-74.5-14.4000112.4T82 E84 K101 L108 A109T82-N105 HydrophobicContact CG2-CB 3.99Å; E84-N105 PolarHBondContact OE1-ND2 3.44Å; E84-N105 PolarHBondContact OE2-ND2 3.33Å; E84-N105 VanDerWaalsContact OE2-ND2 3.08Å; K101-N105 WeakPolarHBondContact O-CB 3.13Å; K101-N105 PolarHBondContact O-N 3.25Å; N105-L108 PolarHBondContact O-N 2.85Å; N105-A109 WeakPolarHBondContact O-CB 3.43Å; N105-A109 PolarHBondContact O-N 2.81Å
106G98.8Very high97.9Very high0 Ų043.5 Ų43.50%023%0.233CC..Hα-helixtrans-62.4-46.2175.200000112.1G102 I103 I104 A109 F110G102-G106 PolarHBondContact O-N 3Å; I103-G106 PolarHBondContact O-N 2.92Å; I104-G106 VanDerWaalsContact C-N 3.25Å; I104-G106 PolarHBondContact O-N 3.14Å; G106-A109 PolarHBondContact O-N 3.02Å; G106-F110 WeakPolarHBondContact O-CB 3.2Å; G106-F110 PolarHBondContact O-N 3Å
107F98.8Very high97.8Very high0 Ų045.9 Ų45.90%024%0.243CC..Hα-helixtrans-61.5-46.9173.6-88-116.9000111.9L75 I79 I103 I104 A109 F110 D111 A127 I129 C142 L195 P217L75-F107 HydrophobicContact CD1-CD2 4.01Å; L75-F107 HydrophobicContact CD1-CE2 4.21Å; L75-F107 HydrophobicContact CD1-CG 4.31Å; L75-F107 HydrophobicContact CD2-CE1 4.3Å; L75-F107 HydrophobicContact CD2-CE2 3.95Å; L75-F107 HydrophobicContact CD2-CZ 3.81Å; L75-F107 HydrophobicContact CG-CE2 4.4Å; I79-F107 HydrophobicContact CD1-CD2 4.27Å; I79-F107 HydrophobicContact CD1-CE2 4.03Å; I103-F107 HydrophobicContact CG2-CD2 3.97Å; I103-F107 HydrophobicContact CG2-CE2 3.85Å; I103-F107 VanDerWaalsContact O-CD2 3.31Å; I103-F107 WeakPolarHBondContact O-CD2 3.32Å; I103-F107 PolarHBondContact O-N 3.22Å; I104-F107 PolarHBondContact O-N 2.69Å; I104-F107 VanDerWaalsContact O-N 3.17Å; F107-A109 VanDerWaalsContact C-N 3.33Å; F107-A109 PolarHBondContact O-N 3.05Å; F107-F110 PolarHBondContact O-N 3.32Å; F107-D111 WeakPolarHBondContact O-CB 3.31Å; F107-D111 PolarHBondContact O-N 3.31Å; F107-A127 HydrophobicContact CE1-CB 3.76Å; F107-A127 HydrophobicContact CZ-CB 4.07Å; F107-I129 HydrophobicContact CE2-CD1 3.7Å; F107-I129 HydrophobicContact CE2-CG1 4.26Å; F107-I129 HydrophobicContact CZ-CD1 4.1Å; F107-I129 HydrophobicContact CZ-CG1 4.17Å; F107-C142 HydrophobicContact CD1-CB 4.22Å; F107-C142 HydrophobicContact CE1-CB 3.76Å; F107-L195 HydrophobicContact CD1-CD1 4.2Å; F107-L195 HydrophobicContact CD1-CD2 4.18Å; F107-L195 HydrophobicContact CD1-CG 4.37Å; F107-L195 HydrophobicContact CE1-CD1 4.3Å; F107-P217 HydrophobicContact CB-CG 4.02Å; F107-P217 HydrophobicContact CD1-CB 3.97Å; F107-P217 HydrophobicContact CD1-CG 3.86Å; F107-P217 HydrophobicContact CD2-CB 4.43Å; F107-P217 HydrophobicContact CD2-CG 3.81Å; F107-P217 HydrophobicContact CE1-CB 3.9Å; F107-P217 HydrophobicContact CE1-CG 4.22Å; F107-P217 HydrophobicContact CE2-CB 4.36Å; F107-P217 HydrophobicContact CE2-CG 4.17Å; F107-P217 HydrophobicContact CG-CB 4.24Å; F107-P217 HydrophobicContact CG-CG 3.63Å; F107-P217 HydrophobicContact CZ-CB 4.1Å; F107-P217 HydrophobicContact CZ-CG 4.36Å
108L98.6Very high97.5Very high29 Ų2944.2 Ų44.215%0.15223%0.231CC..Hα-helixtrans-67.5-31.7-179.3-60.5-175.1000113.1I104 N105 R112 V208 T209 P215I104-L108 HydrophobicContact CG2-CD1 4.06Å; I104-L108 HydrophobicContact CG2-CG 4.31Å; I104-L108 WeakPolarHBondContact O-CG 3.49Å; I104-L108 PolarHBondContact O-N 3.46Å; N105-L108 PolarHBondContact O-N 2.85Å; L108-R112 PolarHBondContact O-N 3.26Å; L108-R112 PolarHBondContact O-NH1 3.28Å; L108-V208 HydrophobicContact CD2-CG1 4.13Å; L108-T209 HydrophobicContact CD1-CG2 4.28Å; L108-T209 HydrophobicContact CD2-CG2 3.87Å; L108-P215 HydrophobicContact CD2-CB 4.4Å; L108-P215 HydrophobicContact CD2-CG 3.73Å
109A98.3Very high96.9Very high24 Ų2446.4 Ų46.420%0.19825%0.25CC..Hα-helixtrans-72-47.6173.300000111N105 G106 F107 D111 R112 D113N105-A109 WeakPolarHBondContact O-CB 3.43Å; N105-A109 PolarHBondContact O-N 2.81Å; G106-A109 PolarHBondContact O-N 3.02Å; F107-A109 VanDerWaalsContact C-N 3.33Å; F107-A109 PolarHBondContact O-N 3.05Å; A109-D111 PolarHBondContact O-N 3.47Å; A109-R112 VanDerWaalsContact CA-NH2 3.3Å; A109-R112 WeakPolarHBondContact O-CB 3.29Å; A109-R112 PolarHBondContact O-N 3.34Å; A109-R112 VanDerWaalsContact O-N 3.17Å; A109-D113 VanDerWaalsContact O-CG 3.3Å; A109-D113 PolarHBondContact O-N 3.05Å
110F98.6Very high96.5Very high8 Ų852.7 Ų52.74%0.03528%0.284CS..Hα-helixtrans-59.5-44.9178.5-171.2-111.8000112.5L70 C71 K74 L75 A78 G106 F107 R112 D113 L114 L195L70-F110 HydrophobicContact CB-CZ 4.09Å; L70-F110 WeakPolarHBondContact O-CZ 3.47Å; C71-F110 HydrophobicContact CB-CE1 4.41Å; K74-F110 HydrophobicContact CB-CD2 4.49Å; K74-F110 HydrophobicContact CB-CE2 3.56Å; K74-F110 HydrophobicContact CB-CZ 4.14Å; L75-F110 HydrophobicContact CB-CD1 4.35Å; L75-F110 HydrophobicContact CB-CE1 4.34Å; L75-F110 HydrophobicContact CD1-CB 3.87Å; L75-F110 HydrophobicContact CD1-CD1 3.75Å; L75-F110 HydrophobicContact CD1-CG 3.86Å; A78-F110 HydrophobicContact CB-CB 3.8Å; A78-F110 HydrophobicContact CB-CD2 3.95Å; A78-F110 HydrophobicContact CB-CG 4.25Å; G106-F110 WeakPolarHBondContact O-CB 3.2Å; G106-F110 PolarHBondContact O-N 3Å; F107-F110 PolarHBondContact O-N 3.32Å; F110-R112 VanDerWaalsContact C-N 3.28Å; F110-R112 PolarHBondContact O-N 3.37Å; F110-D113 PolarHBondContact O-N 2.75Å; F110-D113 VanDerWaalsContact O-N 3.16Å; F110-L114 HydrophobicContact CD1-CD1 3.9Å; F110-L114 HydrophobicContact CD1-CG 4.27Å; F110-L114 HydrophobicContact CE1-CD1 3.6Å; F110-L114 HydrophobicContact CE1-CD2 4.19Å; F110-L114 HydrophobicContact CE1-CG 3.96Å; F110-L114 HydrophobicContact CE2-CD2 4.47Å; F110-L114 HydrophobicContact CZ-CD1 4.19Å; F110-L114 HydrophobicContact CZ-CD2 3.92Å; F110-L114 HydrophobicContact CZ-CG 4.09Å; F110-L114 WeakPolarHBondContact O-CG 3.47Å; F110-L114 PolarHBondContact O-N 3.04Å; F110-L195 HydrophobicContact CD1-CD1 3.99Å; F110-L195 HydrophobicContact CD1-CD2 4.43Å; F110-L195 HydrophobicContact CE1-CD1 4.33Å
111D98.2Very high96.3Very high8 Ų849.4 Ų49.44%0.04327%0.27CS..Hα-helixtrans-61.1-37.1177.6-162.259.4000112.6F107 A109 A115 L195 G196 F198 K201 P215F107-D111 WeakPolarHBondContact O-CB 3.31Å; F107-D111 PolarHBondContact O-N 3.31Å; A109-D111 PolarHBondContact O-N 3.47Å; D111-A115 PolarHBondContact O-N 2.83Å; D111-A115 VanDerWaalsContact O-N 3.11Å; D111-L195 HydrophobicContact CB-CD2 3.72Å; D111-L195 WeakPolarHBondContact OD1-CA 3.41Å; D111-G196 PolarHBondContact OD1-N 2.82Å; D111-F198 WeakPolarHBondContact O-CE1 3.17Å; D111-K201 IonicContact OD1-NZ 2.76Å; D111-K201 PolarHBondContact OD1-NZ 3.44Å; D111-K201 IonicContact OD2-NZ 3.79Å; D111-K201 PolarHBondContact OD2-NZ 3.42Å; D111-P215 HydrophobicContact CB-CB 3.79Å; D111-P215 HydrophobicContact CB-CG 4.23Å; D111-P215 WeakPolarHBondContact OD2-CB 3.3Å; D111-P215 WeakPolarHBondContact OD2-CG 3.34Å
112R97.3Very high96.1Very high128 Ų12851 Ų5148%0.48328%0.277SS..Hα-helixtrans-70.4-38.9175.2167.9173.749.3-94.11.4112.2L108 A109 F110 L114 A115 S116L108-R112 PolarHBondContact O-N 3.26Å; L108-R112 PolarHBondContact O-NH1 3.28Å; A109-R112 VanDerWaalsContact CA-NH2 3.3Å; A109-R112 WeakPolarHBondContact O-CB 3.29Å; A109-R112 PolarHBondContact O-N 3.34Å; A109-R112 VanDerWaalsContact O-N 3.17Å; F110-R112 VanDerWaalsContact C-N 3.28Å; F110-R112 PolarHBondContact O-N 3.37Å; R112-L114 VanDerWaalsContact C-N 3.35Å; R112-A115 PolarHBondContact O-N 3.25Å; R112-S116 WeakPolarHBondContact O-CB 3.05Å; R112-S116 PolarHBondContact O-N 2.84Å; R112-S116 PolarHBondContact O-OG 2.82Å
113D97.3Very high96.1Very high93 Ų9351 Ų5150%0.49728%0.277SS..Hα-helixtrans-65.7-41.2176.9-67.9-13.4000110.4A109 F110 S116 D117A109-D113 VanDerWaalsContact O-CG 3.3Å; A109-D113 PolarHBondContact O-N 3.05Å; F110-D113 PolarHBondContact O-N 2.75Å; F110-D113 VanDerWaalsContact O-N 3.16Å; D113-S116 PolarHBondContact O-N 2.62Å; D113-D117 WeakPolarHBondContact O-CB 3.2Å; D113-D117 PolarHBondContact O-N 2.9Å
114L97.5Very high96Very high13 Ų1351 Ų517%0.06828%0.277CS..Hα-helixtrans-58.1-48.1172.5-69.9174.5000111.8V67 L70 F110 R112 S116 D117 D118 L195 F198V67-L114 HydrophobicContact CG1-CD1 4.03Å; L70-L114 HydrophobicContact CB-CD2 3.9Å; L70-L114 HydrophobicContact CD1-CD2 3.46Å; L70-L114 VanDerWaalsContact CD1-CD2 3.46Å; L70-L114 HydrophobicContact CG-CD2 4.29Å; F110-L114 HydrophobicContact CD1-CD1 3.9Å; F110-L114 HydrophobicContact CD1-CG 4.27Å; F110-L114 HydrophobicContact CE1-CD1 3.6Å; F110-L114 HydrophobicContact CE1-CD2 4.19Å; F110-L114 HydrophobicContact CE1-CG 3.96Å; F110-L114 HydrophobicContact CE2-CD2 4.47Å; F110-L114 HydrophobicContact CZ-CD1 4.19Å; F110-L114 HydrophobicContact CZ-CD2 3.92Å; F110-L114 HydrophobicContact CZ-CG 4.09Å; F110-L114 WeakPolarHBondContact O-CG 3.47Å; F110-L114 PolarHBondContact O-N 3.04Å; R112-L114 VanDerWaalsContact C-N 3.35Å; L114-S116 PolarHBondContact O-N 3.13Å; L114-D117 PolarHBondContact O-N 3.42Å; L114-D118 PolarHBondContact O-N 2.73Å; L114-D118 VanDerWaalsContact O-N 3.15Å; L114-L195 HydrophobicContact CD1-CB 4.39Å; L114-F198 HydrophobicContact CB-CE2 4.36Å; L114-F198 HydrophobicContact CB-CZ 3.62Å
115A95.2Very high96Very high35 Ų3549.8 Ų49.829%0.28927%0.27SS..Hα-helixtrans-62.8-28.3178.200000113.1D111 R112 F198D111-A115 PolarHBondContact O-N 2.83Å; D111-A115 VanDerWaalsContact O-N 3.11Å; R112-A115 PolarHBondContact O-N 3.25Å; A115-F198 HydrophobicContact CB-CD1 3.83Å; A115-F198 HydrophobicContact CB-CD2 4.46Å; A115-F198 HydrophobicContact CB-CE1 3.57Å; A115-F198 HydrophobicContact CB-CE2 4.21Å; A115-F198 HydrophobicContact CB-CG 4.3Å; A115-F198 HydrophobicContact CB-CZ 3.78Å; A115-F198 VanDerWaalsContact N-CZ 3.27Å
116S95Very high96Very high97 Ų9746.9 Ų46.968%0.67826%0.255SS*.Hα-helixtrans-84.4-30.2179.2-54.60000112.5R112 D113 L114R112-S116 WeakPolarHBondContact O-CB 3.05Å; R112-S116 PolarHBondContact O-N 2.84Å; R112-S116 PolarHBondContact O-OG 2.82Å; D113-S116 PolarHBondContact O-N 2.62Å; L114-S116 PolarHBondContact O-N 3.13Å
117D93.8Very high96Very high102 Ų10246.9 Ų46.955%0.54526%0.255SS..Hα-helixtrans-69.8-45.7176-174.859.8000111.4R66 D113 L114R66-D117 IonicContact NH2-OD2 2.81Å; R66-D117 PolarHBondContact NH2-OD2 2.9Å; D113-D117 WeakPolarHBondContact O-CB 3.2Å; D113-D117 PolarHBondContact O-N 2.9Å; L114-D117 PolarHBondContact O-N 3.42Å
118D92.3Very high96Very high46 Ų4646.9 Ų46.925%0.24626%0.255CS..  trans-150.999.9178-168.3-14000111.2R66 L114 D120 E121R66-D118 IonicContact CZ-OD2 3.46Å; R66-D118 IonicContact NH1-OD2 2.79Å; R66-D118 PolarHBondContact NH1-OD2 3.39Å; R66-D118 IonicContact NH2-OD2 3.36Å; L114-D118 PolarHBondContact O-N 2.73Å; L114-D118 VanDerWaalsContact O-N 3.15Å; D118-D120 PolarHBondContact O-N 3.24Å; D118-D120 PolarHBondContact OD1-N 3.48Å; D118-E121 HydrophobicContact CB-CB 4.2Å; D118-E121 VanDerWaalsContact O-CB 3.3Å; D118-E121 WeakPolarHBondContact O-CB 3.48Å; D118-E121 PolarHBondContact O-N 3.3Å; D118-E121 PolarHBondContact OD1-N 2.98Å
119S84.3Confident96Very high86 Ų8645.5 Ų45.560%0.60125%0.248SC*.THydrogen-bonded Turntrans-72.6-15.5179.561.10000113.8E121S119-E121 VanDerWaalsContact C-N 3.35Å
120D90Very high96.1Very high133 Ų13344.3 Ų44.371%0.71124%0.238SC*.THydrogen-bonded Turntrans-91.5-1.4178-69.9-33.9000112D118 K122D118-D120 PolarHBondContact O-N 3.24Å; D118-D120 PolarHBondContact OD1-N 3.48Å; D120-K122 PolarHBondContact O-N 2.93Å
121E94.5Very high96.1Very high34 Ų3444 Ų4416%0.15924%0.237CC..  trans-61.7126.2174-177.954.2-104.600110.9R66 V67 D118 S119 S123 F198R66-E121 WeakPolarHBondContact CD-OE2 3.3Å; R66-E121 WeakPolarHBondContact CG-OE2 3.45Å; R66-E121 IonicContact NE-OE2 3.02Å; R66-E121 IonicContact NH1-OE2 3.74Å; V67-E121 HydrophobicContact CG2-CG 3.95Å; D118-E121 HydrophobicContact CB-CB 4.2Å; D118-E121 VanDerWaalsContact O-CB 3.3Å; D118-E121 WeakPolarHBondContact O-CB 3.48Å; D118-E121 PolarHBondContact O-N 3.3Å; D118-E121 PolarHBondContact OD1-N 2.98Å; S119-E121 VanDerWaalsContact C-N 3.35Å; E121-S123 VanDerWaalsContact OE1-CB 3.29Å; E121-S123 WeakPolarHBondContact OE1-CB 3.36Å; E121-S123 PolarHBondContact OE1-N 2.73Å; E121-S123 PolarHBondContact OE1-OG 2.92Å; E121-F198 HydrophobicContact CB-CD2 4.49Å; E121-F198 HydrophobicContact CB-CE2 4.29Å
122K95Very high96.1Very high147 Ų14743.7 Ų43.764%0.63924%0.235SC*.  trans-108.8-16.7-176.4-65.1-175.4-179.3179.90113.2D120D120-K122 PolarHBondContact O-N 2.93Å
123S97.3Very high96.1Very high0 Ų037.7 Ų37.70%021%0.213CC..  trans-68155.7175.560.20000110.9H62 A63 G64 V67 E121 D197H62-S123 WeakPolarHBondContact O-CA 3.21Å; H62-S123 VanDerWaalsContact O-CB 3.29Å; H62-S123 WeakPolarHBondContact O-CB 3.4Å; A63-S123 WeakPolarHBondContact O-CB 3.18Å; G64-S123 WeakPolarHBondContact O-CB 3.48Å; V67-S123 WeakPolarHBondContact CG2-O 3.47Å; V67-S123 WeakPolarHBondContact CG2-OG 3.41Å; E121-S123 VanDerWaalsContact OE1-CB 3.29Å; E121-S123 WeakPolarHBondContact OE1-CB 3.36Å; E121-S123 PolarHBondContact OE1-N 2.73Å; E121-S123 PolarHBondContact OE1-OG 2.92Å; S123-D197 PolarHBondContact O-N 3.39Å; S123-D197 VanDerWaalsContact O-N 3.15Å
124G98.3Very high96.1Very high0 Ų036.3 Ų36.30%021%0.209CC..EExtended strand (participates in β ladder)trans-132.9173167.600000109.7G61 H62 L195G61-G124 WeakPolarHBondContact CA-O 3.24Å; H62-G124 PolarHBondContact N-O 3.01Å; H62-G124 WeakPolarHBondContact NE2-CA 3.15Å; H62-G124 PolarHBondContact O-N 3Å; G124-L195 CarbonylContact C-O 3.4Å; G124-L195 WeakPolarHBondContact CA-O 3.42Å
125S98.8Very high96.1Very high0 Ų039.2 Ų39.20%023%0.227CC..EExtended strand (participates in β ladder)trans-149.3141172.1-169.30000112D60 S68 S194 L195D60-S125 CarbonylContact O-C 3.52Å; D60-S125 WeakPolarHBondContact O-CA 3.48Å; D60-S125 PolarHBondContact O-OG 3.43Å; S68-S125 WeakPolarHBondContact CA-OG 3.2Å; S68-S125 VanDerWaalsContact CB-OG 3.23Å; S68-S125 WeakPolarHBondContact CB-OG 3.39Å; S125-S194 WeakPolarHBondContact O-CA 3.34Å; S125-S194 WeakPolarHBondContact O-CB 3.44Å; S125-L195 PolarHBondContact N-O 3.18Å; S125-L195 PolarHBondContact O-N 3.25Å
126T98.8Very high96.2Very high1 Ų138.1 Ų38.11%0.00622%0.216CC..  trans-69.8159.7160.678.40000109.8F59 D60 C142 D144 S145 V191F59-T126 VanDerWaalsContact CA-O 3.3Å; F59-T126 WeakPolarHBondContact CA-O 3.25Å; D60-T126 HydrophobicContact CB-CG2 4.2Å; D60-T126 WeakPolarHBondContact CB-OG1 3.3Å; D60-T126 PolarHBondContact N-OG1 3.03Å; D60-T126 PolarHBondContact O-N 3.37Å; T126-C142 CarbonylContact C-O 3.57Å; T126-C142 VanDerWaalsContact CA-O 3.26Å; T126-C142 WeakPolarHBondContact CA-O 3.41Å; T126-C142 WeakPolarHBondContact CB-O 3.43Å; T126-D144 WeakPolarHBondContact CG2-OD1 3.33Å; T126-S145 PolarHBondContact OG1-OG 3.4Å; T126-V191 HydrophobicContact CG2-CG1 4.08Å
127A98.9Very high96.4Very high0 Ų033.5 Ų33.50%018%0.184CC..EExtended strand (participates in β ladder)trans-144.6112.2174.600000108.8F59 L75 F107 N141 C142 L195F59-A127 HydrophobicContact CD1-CB 3.68Å; F59-A127 HydrophobicContact CE1-CB 3.84Å; L75-A127 HydrophobicContact CD2-CB 4.39Å; F107-A127 HydrophobicContact CE1-CB 3.76Å; F107-A127 HydrophobicContact CZ-CB 4.07Å; A127-N141 CarbonylContact O-C 3.58Å; A127-C142 PolarHBondContact N-O 3.3Å; A127-C142 PolarHBondContact O-N 3.36Å; A127-L195 HydrophobicContact CB-CD1 4.22Å
128V98.9Very high96.6Very high0 Ų028.7 Ų28.70%016%0.158CC..EExtended strand (participates in β ladder)trans-108.9120.8162.369.60000108.2G57 V58 A140 A147 L234G57-V128 CarbonylContact C-O 3.59Å; G57-V128 VanDerWaalsContact CA-O 3.25Å; G57-V128 WeakPolarHBondContact CA-O 3.45Å; V58-V128 HydrophobicContact CB-CG1 3.94Å; V58-V128 PolarHBondContact N-O 3Å; V58-V128 PolarHBondContact O-N 3.41Å; V128-A140 WeakPolarHBondContact CA-O 3.39Å; V128-A147 HydrophobicContact CG2-CB 3.56Å; V128-L234 HydrophobicContact CG1-CB 4.19Å; V128-L234 HydrophobicContact CG1-CD2 4.35Å; V128-L234 HydrophobicContact CG1-CG 4.4Å
129I98.9Very high96.9Very high0 Ų026.5 Ų26.50%015%0.146CC..EExtended strand (participates in β ladder)trans-127.9158.3-17865.2157.6000110.5Y55 F56 F59 L75 I79 I103 F107 F131 M139 A140Y55-I129 HydrophobicContact CE2-CB 3.9Å; Y55-I129 HydrophobicContact CE2-CD1 3.77Å; Y55-I129 HydrophobicContact CE2-CG1 4.41Å; Y55-I129 HydrophobicContact CE2-CG2 4.21Å; Y55-I129 WeakPolarHBondContact OH-CG2 3.34Å; F56-I129 CarbonylContact O-C 3.52Å; F56-I129 WeakPolarHBondContact O-CA 3.48Å; F59-I129 HydrophobicContact CE1-CG2 3.78Å; F59-I129 HydrophobicContact CZ-CG2 3.94Å; L75-I129 HydrophobicContact CD2-CG2 4.25Å; I79-I129 HydrophobicContact CD1-CD1 3.72Å; I103-I129 HydrophobicContact CG2-CD1 4.27Å; F107-I129 HydrophobicContact CE2-CD1 3.7Å; F107-I129 HydrophobicContact CE2-CG1 4.26Å; F107-I129 HydrophobicContact CZ-CD1 4.1Å; F107-I129 HydrophobicContact CZ-CG1 4.17Å; I129-F131 HydrophobicContact CD1-CE2 4.01Å; I129-M139 CarbonylContact O-C 3.59Å; I129-M139 WeakPolarHBondContact O-CA 3.49Å; I129-A140 HydrophobicContact CD1-CB 4.01Å; I129-A140 HydrophobicContact CG1-CB 3.63Å; I129-A140 PolarHBondContact N-O 3.27Å; I129-A140 PolarHBondContact O-N 3.47Å
130A98.9Very high97.6Very high0 Ų022.4 Ų22.40%012%0.118CC..EExtended strand (participates in β ladder)trans-143.6139172.500000112.2Y55 F56 I138 M139 L232 L234Y55-A130 WeakPolarHBondContact CA-O 3.44Å; F56-A130 PolarHBondContact N-O 3.46Å; F56-A130 PolarHBondContact O-N 3.3Å; A130-I138 CarbonylContact C-O 3.48Å; A130-I138 WeakPolarHBondContact CA-O 3.31Å; A130-M139 HydrophobicContact CB-CG 4.03Å; A130-L232 HydrophobicContact CB-CD2 3.64Å; A130-L234 HydrophobicContact CB-CD1 4.25Å; A130-L234 HydrophobicContact CB-CD2 4.28Å
131F98.8Very high98.1Very high1 Ų116.1 Ų16.10%0.0048%0.084CC..EExtended strand (participates in β ladder)trans-103133.2162.7-64.7-90.1000109.9L46 W53 S54 Y55 L76 I79 I103 I129 I138L46-F131 HydrophobicContact CD1-CD1 4.35Å; L46-F131 HydrophobicContact CD1-CE1 4.11Å; W53-F131 HydrophobicContact CE3-CB 4.08Å; W53-F131 AromaticContact CE3-CD1 3.73Å; W53-F131 HydrophobicContact CE3-CD1 3.73Å; W53-F131 HydrophobicContact CE3-CE1 4.45Å; W53-F131 HydrophobicContact CE3-CG 4.11Å; W53-F131 HydrophobicContact CZ3-CB 4.28Å; W53-F131 HydrophobicContact CZ3-CD1 4.22Å; W53-F131 HydrophobicContact CZ3-CG 4.27Å; S54-F131 CarbonylContact O-C 3.49Å; S54-F131 VanDerWaalsContact O-CA 3.23Å; S54-F131 WeakPolarHBondContact O-CA 3.36Å; Y55-F131 AromaticContact CD2-CD1 3.83Å; Y55-F131 HydrophobicContact CD2-CD1 3.83Å; Y55-F131 HydrophobicContact CD2-CD2 4.26Å; Y55-F131 AromaticContact CD2-CE1 3.42Å; Y55-F131 HydrophobicContact CD2-CE1 3.42Å; Y55-F131 VanDerWaalsContact CD2-CE1 3.42Å; Y55-F131 AromaticContact CD2-CE2 3.88Å; Y55-F131 HydrophobicContact CD2-CE2 3.88Å; Y55-F131 HydrophobicContact CD2-CG 4.25Å; Y55-F131 AromaticContact CD2-CZ 3.44Å; Y55-F131 HydrophobicContact CD2-CZ 3.44Å; Y55-F131 VanDerWaalsContact CD2-CZ 3.44Å; Y55-F131 HydrophobicContact CE2-CE1 4.15Å; Y55-F131 AromaticContact CE2-CE2 3.94Å; Y55-F131 HydrophobicContact CE2-CE2 3.94Å; Y55-F131 AromaticContact CE2-CZ 3.68Å; Y55-F131 HydrophobicContact CE2-CZ 3.68Å; Y55-F131 HydrophobicContact CG-CE1 4.14Å; Y55-F131 HydrophobicContact CG-CZ 4.49Å; L76-F131 HydrophobicContact CD1-CE1 3.6Å; L76-F131 HydrophobicContact CD1-CZ 3.75Å; I79-F131 HydrophobicContact CD1-CE2 4.46Å; I79-F131 HydrophobicContact CD1-CZ 4.42Å; I79-F131 HydrophobicContact CG2-CE2 4.43Å; I79-F131 HydrophobicContact CG2-CZ 4.1Å; I103-F131 HydrophobicContact CD1-CD2 4.08Å; I103-F131 HydrophobicContact CD1-CE2 4.02Å; I103-F131 HydrophobicContact CG1-CE2 4.19Å; I129-F131 HydrophobicContact CD1-CE2 4.01Å; F131-I138 HydrophobicContact CB-CB 4.25Å; F131-I138 HydrophobicContact CB-CD1 4.19Å; F131-I138 PolarHBondContact N-O 2.79Å; F131-I138 PolarHBondContact O-N 3.02Å
132V98.6Very high98.3Very high1 Ų114.5 Ų14.51%0.0068%0.077CC..EExtended strand (participates in β ladder)trans-110.8113.2167-174.70000107.4L22 W53 S54 F56 I137 L232 L289L22-V132 HydrophobicContact CD1-CB 3.78Å; L22-V132 HydrophobicContact CD1-CG1 3.69Å; L22-V132 HydrophobicContact CD1-CG2 4.17Å; L22-V132 HydrophobicContact CD2-CG1 4.36Å; W53-V132 CarbonylContact C-O 3.52Å; W53-V132 WeakPolarHBondContact CA-O 3.23Å; S54-V132 PolarHBondContact N-O 2.89Å; S54-V132 PolarHBondContact O-N 3.42Å; F56-V132 HydrophobicContact CD2-CG2 4.35Å; F56-V132 HydrophobicContact CE2-CG2 4.09Å; V132-I137 HydrophobicContact CG1-CG1 4.36Å; V132-L232 HydrophobicContact CG2-CD2 3.85Å; V132-L289 HydrophobicContact CG1-CD2 4.4Å
133T97.9Very high98.4Very high2 Ų27.5 Ų7.51%0.0125%0.046CC..  trans-104.1175.4179.275.90000109.3W53 L94 T135 H136 I138 R224W53-T133 HydrophobicContact CD2-CG2 3.43Å; W53-T133 VanDerWaalsContact CD2-CG2 3.43Å; W53-T133 HydrophobicContact CE3-CG2 3.49Å; W53-T133 VanDerWaalsContact CE3-CG2 3.49Å; W53-T133 HydrophobicContact CG-CG2 4.08Å; W53-T133 HydrophobicContact CH2-CG2 3.76Å; W53-T133 HydrophobicContact CZ2-CG2 3.71Å; W53-T133 HydrophobicContact CZ3-CG2 3.65Å; L94-T133 HydrophobicContact CD2-CG2 4.34Å; T133-T135 PolarHBondContact O-N 2.89Å; T133-T135 PolarHBondContact OG1-N 2.83Å; T133-H136 PolarHBondContact N-O 3.41Å; T133-H136 WeakPolarHBondContact OG1-CA 3.45Å; T133-H136 PolarHBondContact OG1-N 3.49Å; T133-H136 PolarHBondContact OG1-O 2.93Å; T133-I138 HydrophobicContact CG2-CD1 3.81Å; T133-R224 WeakPolarHBondContact O-CD 3.38Å; T133-R224 PolarHBondContact O-NH1 3.26Å
134P96.3Very high98.5Very high65 Ų657.7 Ų7.742%0.4225%0.047SC..SBendtrans-58.8-29.6174.4-27.738.2000113.9Y52Y52-P134 WeakPolarHBondContact O-CD 3.24Å
135T97Very high98.5Very high74 Ų747.7 Ų7.745%0.4545%0.047SC..SBendtrans-118.1-21.8-170.552.90000114.5T133 R224T133-T135 PolarHBondContact O-N 2.89Å; T133-T135 PolarHBondContact OG1-N 2.83Å; T135-R224 PolarHBondContact O-N 3.09Å
136H98.4Very high98.5Very high11 Ų119.5 Ų9.55%0.0515%0.054CC..EExtended strand (participates in β ladder)trans-137.6150.5-172.7-65.479.9000112.8L94 T133 I138 I221 V222L94-H136 HydrophobicContact CD2-CB 4.11Å; T133-H136 PolarHBondContact N-O 3.41Å; T133-H136 WeakPolarHBondContact OG1-CA 3.45Å; T133-H136 PolarHBondContact OG1-N 3.49Å; T133-H136 PolarHBondContact OG1-O 2.93Å; H136-I138 HydrophobicContact CB-CD1 4.47Å; H136-I138 HydrophobicContact CB-CG1 4.36Å; H136-I221 HydrophobicContact CB-CG2 4.42Å; H136-V222 CarbonylContact C-O 3.59Å; H136-V222 VanDerWaalsContact CA-O 3.27Å; H136-V222 WeakPolarHBondContact CA-O 3.46Å
137I98.7Very high98.5Very high0 Ų09.5 Ų9.50%05%0.054CC..EExtended strand (participates in β ladder)trans-106.4124.9161.4-64.2161.3000106.8V132 M139 L149 V222 R224 L232 L289V132-I137 HydrophobicContact CG1-CG1 4.36Å; I137-M139 HydrophobicContact CG2-CE 4.36Å; I137-M139 HydrophobicContact CG2-CG 4.47Å; I137-L149 HydrophobicContact CD1-CD1 3.77Å; I137-L149 HydrophobicContact CD1-CD2 3.89Å; I137-V222 HydrophobicContact CB-CG2 3.92Å; I137-V222 PolarHBondContact N-O 2.88Å; I137-V222 PolarHBondContact O-N 3.49Å; I137-R224 HydrophobicContact CD1-CG 4.09Å; I137-R224 HydrophobicContact CG1-CG 3.77Å; I137-L232 HydrophobicContact CG2-CD1 4.48Å; I137-L232 HydrophobicContact CG2-CD2 4.42Å; I137-L289 HydrophobicContact CD1-CD1 3.81Å
138I98.8Very high98.5Very high1 Ų19.5 Ų9.51%0.0055%0.054CC..EExtended strand (participates in β ladder)trans-119.8119.8-178.6-59.9140.3000107.2W53 L94 V99 I103 A130 F131 T133 H136 I219 F220 I221W53-I138 HydrophobicContact CH2-CD1 4.34Å; W53-I138 HydrophobicContact CZ3-CD1 4.14Å; L94-I138 HydrophobicContact CD2-CD1 4.21Å; V99-I138 HydrophobicContact CG1-CD1 3.76Å; V99-I138 HydrophobicContact CG1-CG1 4.26Å; V99-I138 HydrophobicContact CG1-CG2 4.19Å; I103-I138 HydrophobicContact CD1-CG2 3.54Å; A130-I138 CarbonylContact C-O 3.48Å; A130-I138 WeakPolarHBondContact CA-O 3.31Å; F131-I138 HydrophobicContact CB-CB 4.25Å; F131-I138 HydrophobicContact CB-CD1 4.19Å; F131-I138 PolarHBondContact N-O 2.79Å; F131-I138 PolarHBondContact O-N 3.02Å; T133-I138 HydrophobicContact CG2-CD1 3.81Å; H136-I138 HydrophobicContact CB-CD1 4.47Å; H136-I138 HydrophobicContact CB-CG1 4.36Å; I138-I219 HydrophobicContact CG2-CG2 4.25Å; I138-F220 CarbonylContact C-O 3.48Å; I138-F220 WeakPolarHBondContact CA-O 3.33Å; I138-I221 HydrophobicContact CB-CG1 4.49Å; I138-I221 HydrophobicContact CG1-CB 4.47Å; I138-I221 HydrophobicContact CG1-CG1 4.1Å; I138-I221 HydrophobicContact CG1-CG2 3.96Å; I138-I221 HydrophobicContact CG2-CG1 4.05Å
139M98.9Very high98.5Very high0 Ų09.5 Ų9.50%05%0.054CC..EExtended strand (participates in β ladder)trans-110.5143.4173.6-68.1167.5-81.100109.4I129 A130 I137 A147 L149 L157 T159 F220 L232I129-M139 CarbonylContact O-C 3.59Å; I129-M139 WeakPolarHBondContact O-CA 3.49Å; A130-M139 HydrophobicContact CB-CG 4.03Å; I137-M139 HydrophobicContact CG2-CE 4.36Å; I137-M139 HydrophobicContact CG2-CG 4.47Å; M139-A147 HydrophobicContact CG-CB 4.24Å; M139-A147 HydrophobicContact SD-CB 3.76Å; M139-L149 HydrophobicContact CE-CB 4.22Å; M139-L157 HydrophobicContact CE-CB 4.35Å; M139-L157 HydrophobicContact CE-CD1 4.12Å; M139-L157 HydrophobicContact CE-CD2 3.34Å; M139-L157 HydrophobicContact CE-CG 4.12Å; M139-L157 HydrophobicContact SD-CD2 4.17Å; M139-T159 HydrophobicContact CB-CG2 4.08Å; M139-T159 HydrophobicContact SD-CG2 4.44Å; M139-F220 HydrophobicContact CB-CB 4.34Å; M139-F220 PolarHBondContact N-O 2.86Å; M139-F220 PolarHBondContact O-N 2.91Å; M139-L232 HydrophobicContact CG-CD1 4.18Å; M139-L232 HydrophobicContact SD-CD1 3.76Å
140A98.8Very high98.5Very high1 Ų19.5 Ų9.51%0.0085%0.054CC..EExtended strand (participates in β ladder)trans-129.5133.4170.300000109.5I103 V128 I129 P217 D218 I219I103-A140 HydrophobicContact CG2-CB 3.8Å; V128-A140 WeakPolarHBondContact CA-O 3.39Å; I129-A140 HydrophobicContact CD1-CB 4.01Å; I129-A140 HydrophobicContact CG1-CB 3.63Å; I129-A140 PolarHBondContact N-O 3.27Å; I129-A140 PolarHBondContact O-N 3.47Å; A140-P217 HydrophobicContact CB-CB 4.19Å; A140-D218 CarbonylContact C-O 3.6Å; A140-D218 VanDerWaalsContact CA-O 3.27Å; A140-D218 WeakPolarHBondContact CA-O 3.09Å; A140-I219 HydrophobicContact CB-CD1 3.36Å
141N98.9Very high98.5Very high0 Ų010.1 Ų10.10%06%0.056CC..EExtended strand (participates in β ladder)trans-124.5132.2-178.4-167.650000111.5A127 G143 S145 T159 Q160 H162 P217 D218A127-N141 CarbonylContact O-C 3.58Å; N141-G143 PolarHBondContact ND2-O 2.88Å; N141-S145 PolarHBondContact ND2-O 3.17Å; N141-S145 PolarHBondContact OD1-O 3.04Å; N141-T159 HydrophobicContact CB-CG2 3.98Å; N141-Q160 PolarHBondContact ND2-O 2.91Å; N141-H162 PolarHBondContact ND2-ND1 2.87Å; N141-H162 PolarHBondContact O-CE1 3.43Å; N141-P217 CarbonylContact O-C 3.59Å; N141-P217 VanDerWaalsContact O-CA 3.23Å; N141-P217 WeakPolarHBondContact O-CA 3.48Å; N141-D218 PolarHBondContact N-O 3.4Å; N141-D218 PolarHBondContact O-N 3.4Å
142C98.8Very high98.4Very high0 Ų014.3 Ų14.30%08%0.079CC..EExtended strand (participates in β ladder)trans-139106.1173.1-173.70000107.8F107 T126 A127 P217F107-C142 HydrophobicContact CD1-CB 4.22Å; F107-C142 HydrophobicContact CE1-CB 3.76Å; T126-C142 CarbonylContact C-O 3.57Å; T126-C142 VanDerWaalsContact CA-O 3.26Å; T126-C142 WeakPolarHBondContact CA-O 3.41Å; T126-C142 WeakPolarHBondContact CB-O 3.43Å; A127-C142 PolarHBondContact N-O 3.3Å; A127-C142 PolarHBondContact O-N 3.36Å; C142-P217 HydrophobicContact CB-CB 4.24Å
143G98.6Very high98.4Very high0 Ų019.2 Ų19.20%011%0.105CC..SBendtrans106.3-158.8-17100000113.5N141 H162 R193N141-G143 PolarHBondContact ND2-O 2.88Å; G143-H162 PolarHBondContact N-ND1 2.63Å; G143-H162 VanDerWaalsContact N-ND1 3.19Å; G143-H162 WeakPolarHBondContact O-CB 3.38Å; G143-H162 PolarHBondContact O-N 3.38Å; G143-H162 PolarHBondContact O-ND1 2.96Å; G143-H162 VanDerWaalsContact O-ND1 3.11Å; G143-R193 WeakPolarHBondContact CA-O 3.46Å; G143-R193 PolarHBondContact N-O 2.88Å
144D98.3Very high98.4Very high5 Ų524.4 Ų24.43%0.02713%0.127CC..SBendtrans-115.69.8-172.959.1-5.9000115.1T126 D161 K163 V191T126-D144 WeakPolarHBondContact CG2-OD1 3.33Å; D144-D161 HydrophobicContact CB-CB 4.07Å; D144-K163 HydrophobicContact CB-CD 3.99Å; D144-K163 VanDerWaalsContact CB-CE 3.47Å; D144-K163 VanDerWaalsContact CB-NZ 3.33Å; D144-K163 IonicContact OD2-NZ 3.44Å; D144-K163 PolarHBondContact OD2-NZ 2.83Å; D144-V191 HydrophobicContact CB-CG1 4.31Å; D144-V191 WeakPolarHBondContact OD1-CG1 3.44Å; D144-V191 VanDerWaalsContact OD2-CG1 3.31Å; D144-V191 WeakPolarHBondContact OD2-CG1 3.46Å
145S98.6Very high98.5Very high0 Ų022.6 Ų22.60%012%0.115CC..  trans-58.3158.4147.8-70.70000110.1T126 N141 C236T126-S145 PolarHBondContact OG1-OG 3.4Å; N141-S145 PolarHBondContact ND2-O 3.17Å; N141-S145 PolarHBondContact OD1-O 3.04Å; S145-C236 WeakPolarHBondContact OG-CA 3.46Å
146R98.8Very high98.5Very high38 Ų3823.4 Ų23.414%0.14311%0.112CC..EExtended strand (participates in β ladder)trans-143.9143.4-177.3-168-168.7-59.8151.18.7112.6T159 D161 A235 W240 N245R146-T159 WeakPolarHBondContact CA-OG1 3.28Å; R146-T159 WeakPolarHBondContact CG-OG1 3.43Å; R146-D161 IonicContact CZ-OD1 2.78Å; R146-D161 IonicContact CZ-OD2 2.63Å; R146-D161 IonicContact NE-OD1 3.52Å; R146-D161 PolarHBondContact NE-OD1 3.1Å; R146-D161 IonicContact NE-OD2 3.9Å; R146-D161 VanDerWaalsContact NH2-CG 3.33Å; R146-D161 IonicContact NH2-OD1 3.41Å; R146-D161 PolarHBondContact NH2-OD1 3.17Å; R146-D161 IonicContact NH2-OD2 3.88Å; R146-D161 PolarHBondContact NH2-OD2 3.46Å; R146-A235 PolarHBondContact N-O 3.41Å; R146-A235 PolarHBondContact O-N 3.41Å; R146-W240 HydrophobicContact CB-CD2 4.17Å; R146-W240 HydrophobicContact CB-CG 4.13Å; R146-W240 HydrophobicContact CB-CZ2 4.24Å; R146-W240 WeakPolarHBondContact O-CZ2 3.2Å; R146-W240 PolarHBondContact O-NE1 3.09Å; R146-N245 WeakPolarHBondContact CD-OD1 3.15Å; R146-N245 PolarHBondContact NH1-OD1 3.28Å
147A98.8Very high98.5Very high0 Ų024.2 Ų24.20%012%0.117CC..EExtended strand (participates in β ladder)trans-113.3143.6169.700000110.3V128 M139 A158 T159 L233 L234V128-A147 HydrophobicContact CG2-CB 3.56Å; M139-A147 HydrophobicContact CG-CB 4.24Å; M139-A147 HydrophobicContact SD-CB 3.76Å; A147-A158 CarbonylContact O-C 3.56Å; A147-A158 WeakPolarHBondContact O-CA 3.23Å; A147-T159 HydrophobicContact CB-CG2 3.93Å; A147-T159 PolarHBondContact N-OG1 3.43Å; A147-T159 PolarHBondContact O-N 2.84Å; A147-T159 PolarHBondContact O-OG1 2.84Å; A147-L233 CarbonylContact C-O 3.58Å; A147-L233 WeakPolarHBondContact CA-O 3.45Å; A147-L234 HydrophobicContact CB-CD1 4.2Å; A147-L234 HydrophobicContact CB-CG 3.86Å
148I98.8Very high98.5Very high0 Ų025.6 Ų25.60%013%0.129CC..EExtended strand (participates in β ladder)trans-128.1143.617068.4170.6000111.1I150 T155 L157 A158 L233 W240 T249I148-I150 HydrophobicContact CD1-CD1 4.27Å; I148-I150 HydrophobicContact CD1-CG1 4.14Å; I148-I150 HydrophobicContact CG1-CG1 4.47Å; I148-T155 HydrophobicContact CB-CG2 4.05Å; I148-T155 HydrophobicContact CD1-CG2 4.47Å; I148-T155 HydrophobicContact CG2-CG2 4.12Å; I148-L157 CarbonylContact C-O 3.51Å; I148-L157 VanDerWaalsContact CA-O 3.23Å; I148-L157 WeakPolarHBondContact CA-O 3.46Å; I148-A158 HydrophobicContact CG2-CB 3.72Å; I148-L233 HydrophobicContact CD1-CB 4.45Å; I148-L233 HydrophobicContact CD1-CD1 4.37Å; I148-L233 HydrophobicContact CG1-CB 3.81Å; I148-L233 HydrophobicContact CG1-CD2 4.38Å; I148-L233 HydrophobicContact CG1-CG 4.47Å; I148-L233 PolarHBondContact N-O 2.97Å; I148-L233 PolarHBondContact O-N 2.77Å; I148-W240 HydrophobicContact CD1-CH2 3.92Å; I148-W240 HydrophobicContact CD1-CZ3 4.47Å; I148-W240 HydrophobicContact CG1-CH2 4Å; I148-W240 HydrophobicContact CG2-CH2 3.77Å; I148-W240 HydrophobicContact CG2-CZ2 4.37Å; I148-W240 HydrophobicContact CG2-CZ3 4.37Å; I148-T249 WeakPolarHBondContact CD1-OG1 3.4Å
149L98.8Very high98.5Very high0 Ų025.8 Ų25.80%013%0.13CC..EExtended strand (participates in β ladder)trans-104.6118.6167.3175.658.8000109I137 M139 F156 L157 V222 L289I137-L149 HydrophobicContact CD1-CD1 3.77Å; I137-L149 HydrophobicContact CD1-CD2 3.89Å; M139-L149 HydrophobicContact CE-CB 4.22Å; L149-F156 HydrophobicContact CD2-CD1 3.95Å; L149-F156 HydrophobicContact CD2-CE1 4.48Å; L149-F156 HydrophobicContact CG-CD1 4.42Å; L149-F156 PolarHBondContact O-N 2.89Å; L149-L157 HydrophobicContact CB-CB 4.35Å; L149-L157 PolarHBondContact N-O 3.3Å; L149-L157 PolarHBondContact O-N 3.13Å; L149-V222 HydrophobicContact CD2-CG2 3.73Å; L149-L289 HydrophobicContact CD1-CD1 3.59Å
150I98.8Very high98.5Very high0 Ų032 Ų320%016%0.159CC..EExtended strand (participates in β ladder)trans-92117.9173-56.1174.9000108.3I148 K154 Q230 V231 T249 V252 L253I148-I150 HydrophobicContact CD1-CD1 4.27Å; I148-I150 HydrophobicContact CD1-CG1 4.14Å; I148-I150 HydrophobicContact CG1-CG1 4.47Å; I150-K154 WeakPolarHBondContact CA-O 3.37Å; I150-Q230 HydrophobicContact CG2-CB 4.4Å; I150-Q230 PolarHBondContact O-N 2.81Å; I150-V231 HydrophobicContact CB-CB 4.17Å; I150-V231 HydrophobicContact CD1-CB 4.08Å; I150-V231 HydrophobicContact CD1-CG1 4.41Å; I150-V231 HydrophobicContact CG1-CB 4.44Å; I150-V231 PolarHBondContact N-O 3.28Å; I150-V231 PolarHBondContact O-N 2.86Å; I150-T249 HydrophobicContact CB-CG2 4.49Å; I150-T249 HydrophobicContact CD1-CG2 3.91Å; I150-T249 HydrophobicContact CG1-CG2 3.95Å; I150-T249 HydrophobicContact CG2-CG2 3.79Å; I150-V252 HydrophobicContact CD1-CG1 4.43Å; I150-L253 HydrophobicContact CG2-CD1 3.89Å; I150-L253 HydrophobicContact CG2-CD2 3.98Å; I150-L253 HydrophobicContact CG2-CG 4.15Å
151R98.5Very high98.5Very high14 Ų1433.2 Ų33.25%0.05317%0.165CC..EExtended strand (participates in β ladder)trans-139.2133.9178.9169.6-172.1-68.9-176.5-9108.7N153 K154 F156 E223 F228 D229R151-N153 VanDerWaalsContact C-N 3.31Å; R151-N153 PolarHBondContact O-N 3.44Å; R151-K154 PolarHBondContact N-O 3.39Å; R151-K154 WeakPolarHBondContact O-CG 3.24Å; R151-K154 PolarHBondContact O-N 2.92Å; R151-F156 HydrophobicContact CB-CB 3.72Å; R151-F156 HydrophobicContact CB-CG 4.13Å; R151-E223 PolarHBondContact NH2-O 2.87Å; R151-F228 CarbonylContact C-O 3.49Å; R151-F228 WeakPolarHBondContact CA-O 3.38Å; R151-F228 HydrophobicContact CG-CB 3.68Å; R151-F228 WeakPolarHBondContact CG-O 3.43Å; R151-D229 IonicContact CZ-OD1 3.16Å; R151-D229 IonicContact CZ-OD2 2.88Å; R151-D229 IonicContact NE-OD1 2.68Å; R151-D229 PolarHBondContact NE-OD1 3.43Å; R151-D229 VanDerWaalsContact NH2-CG 3.28Å; R151-D229 IonicContact NH2-OD1 3.95Å; R151-D229 PolarHBondContact NH2-OD1 3Å; R151-D229 IonicContact NH2-OD2 2.75Å; R151-D229 PolarHBondContact NH2-OD2 2.88Å
152D97.5Very high98.4Very high88 Ų8833.4 Ų33.447%0.47117%0.166SC..THydrogen-bonded Turntrans53.547.8179.6-169.937.3000112.9K154 F228D152-K154 PolarHBondContact O-N 3.18Å; D152-K154 VanDerWaalsContact O-N 3.16Å; D152-F228 HydrophobicContact CB-CD1 4.47Å; D152-F228 PolarHBondContact N-O 2.82Å
153N97.6Very high98.4Very high104 Ų10434.7 Ų34.756%0.55617%0.172SC*.THydrogen-bonded Turntrans58.422178.2-55.8-61.5000115.9R151 Q230 L253R151-N153 VanDerWaalsContact C-N 3.31Å; R151-N153 PolarHBondContact O-N 3.44Å; N153-Q230 VanDerWaalsContact CA-OE1 3.26Å; N153-Q230 PolarHBondContact OD1-NE2 2.99Å; N153-Q230 PolarHBondContact OD1-OE1 2.87Å; N153-L253 HydrophobicContact CB-CD1 4.07Å
154K98.1Very high98.4Very high111 Ų11134.7 Ų34.748%0.48317%0.172SC..EExtended strand (participates in β ladder)trans-137.4159.717862.8-176.7176.5-161.50111.9I150 R151 D152 F156I150-K154 WeakPolarHBondContact CA-O 3.37Å; R151-K154 PolarHBondContact N-O 3.39Å; R151-K154 WeakPolarHBondContact O-CG 3.24Å; R151-K154 PolarHBondContact O-N 2.92Å; D152-K154 PolarHBondContact O-N 3.18Å; D152-K154 VanDerWaalsContact O-N 3.16Å; K154-F156 PolarHBondContact O-N 2.83Å
155T98.4Very high98.3Very high27 Ų2740.5 Ų40.517%0.16619%0.194CC..EExtended strand (participates in β ladder)trans-66.699.2167-450000108.1I148 A158 N245 D246 T249I148-T155 HydrophobicContact CB-CG2 4.05Å; I148-T155 HydrophobicContact CD1-CG2 4.47Å; I148-T155 HydrophobicContact CG2-CG2 4.12Å; T155-A158 HydrophobicContact CG2-CB 4.32Å; T155-N245 HydrophobicContact CG2-CB 3.99Å; T155-D246 WeakPolarHBondContact CB-OD1 3.4Å; T155-D246 PolarHBondContact OG1-OD1 2.8Å; T155-T249 PolarHBondContact OG1-OG1 2.89Å
156F98.5Very high98.3Very high91 Ų9142.8 Ų42.840%0.39921%0.206SC..EExtended strand (participates in β ladder)trans-79.9-38.9-177.9169.2-98.7000111.9L149 R151 K154 V222L149-F156 HydrophobicContact CD2-CD1 3.95Å; L149-F156 HydrophobicContact CD2-CE1 4.48Å; L149-F156 HydrophobicContact CG-CD1 4.42Å; L149-F156 PolarHBondContact O-N 2.89Å; R151-F156 HydrophobicContact CB-CB 3.72Å; R151-F156 HydrophobicContact CB-CG 4.13Å; K154-F156 PolarHBondContact O-N 2.83Å; F156-V222 HydrophobicContact CE1-CB 4.44Å; F156-V222 HydrophobicContact CE1-CG1 4.1Å
157L98.5Very high98.2Very high29 Ų2946.1 Ų46.115%0.15223%0.233CC..EExtended strand (participates in β ladder)trans-142.2140.7176.6-169.7154.8000109M139 I148 L149 F220 V222M139-L157 HydrophobicContact CE-CB 4.35Å; M139-L157 HydrophobicContact CE-CD1 4.12Å; M139-L157 HydrophobicContact CE-CD2 3.34Å; M139-L157 HydrophobicContact CE-CG 4.12Å; M139-L157 HydrophobicContact SD-CD2 4.17Å; I148-L157 CarbonylContact C-O 3.51Å; I148-L157 VanDerWaalsContact CA-O 3.23Å; I148-L157 WeakPolarHBondContact CA-O 3.46Å; L149-L157 HydrophobicContact CB-CB 4.35Å; L149-L157 PolarHBondContact N-O 3.3Å; L149-L157 PolarHBondContact O-N 3.13Å; L157-F220 HydrophobicContact CD1-CB 4.15Å; L157-F220 HydrophobicContact CD1-CD1 4.43Å; L157-F220 HydrophobicContact CD2-CB 4.16Å; L157-F220 HydrophobicContact CD2-CD1 4.13Å; L157-F220 HydrophobicContact CD2-CG 4.21Å; L157-V222 HydrophobicContact CD1-CG1 3.57Å
158A98.6Very high98.1Very high29 Ų2952.3 Ų52.324%0.2427%0.265CS..EExtended strand (participates in β ladder)trans-130.9138168.400000108.6A147 I148 T155 N245A147-A158 CarbonylContact O-C 3.56Å; A147-A158 WeakPolarHBondContact O-CA 3.23Å; I148-A158 HydrophobicContact CG2-CB 3.72Å; T155-A158 HydrophobicContact CG2-CB 4.32Å; A158-N245 WeakPolarHBondContact CB-ND2 3.47Å
159T98.6Very high98.1Very high5 Ų552.7 Ų52.73%0.03127%0.266CS..PPolyproline II helixtrans-65.3156170.858.60000110M139 N141 R146 A147 F220M139-T159 HydrophobicContact CB-CG2 4.08Å; M139-T159 HydrophobicContact SD-CG2 4.44Å; N141-T159 HydrophobicContact CB-CG2 3.98Å; R146-T159 WeakPolarHBondContact CA-OG1 3.28Å; R146-T159 WeakPolarHBondContact CG-OG1 3.43Å; A147-T159 HydrophobicContact CB-CG2 3.93Å; A147-T159 PolarHBondContact N-OG1 3.43Å; A147-T159 PolarHBondContact O-N 2.84Å; A147-T159 PolarHBondContact O-OG1 2.84Å; T159-F220 HydrophobicContact CG2-CD2 3.86Å; T159-F220 HydrophobicContact CG2-CE2 3.93Å
160Q97.8Very high98.1Very high130 Ų13054.4 Ų54.461%0.60728%0.278SS*.PPolyproline II helixtrans-95.9128177.3-64-174.631.400110.2N141N141-Q160 PolarHBondContact ND2-O 2.91Å
161D98.3Very high98Very high26 Ų2662.3 Ų62.314%0.13931%0.308CS..PPolyproline II helixtrans-68.2136.9177-57.69.8000110.8D144 R146 K163 N166D144-D161 HydrophobicContact CB-CB 4.07Å; R146-D161 IonicContact CZ-OD1 2.78Å; R146-D161 IonicContact CZ-OD2 2.63Å; R146-D161 IonicContact NE-OD1 3.52Å; R146-D161 PolarHBondContact NE-OD1 3.1Å; R146-D161 IonicContact NE-OD2 3.9Å; R146-D161 VanDerWaalsContact NH2-CG 3.33Å; R146-D161 IonicContact NH2-OD1 3.41Å; R146-D161 PolarHBondContact NH2-OD1 3.17Å; R146-D161 IonicContact NH2-OD2 3.88Å; R146-D161 PolarHBondContact NH2-OD2 3.46Å; D161-K163 HydrophobicContact CB-CG 4.1Å; D161-K163 PolarHBondContact O-N 2.98Å; D161-N166 PolarHBondContact O-ND2 3.08Å
162H98.5Very high98Very high5 Ų562.9 Ų62.92%0.02331%0.31CS..  trans-90.381.1178-62.7101.2000111.3N141 G143 S192 R193 D218N141-H162 PolarHBondContact ND2-ND1 2.87Å; N141-H162 PolarHBondContact O-CE1 3.43Å; G143-H162 PolarHBondContact N-ND1 2.63Å; G143-H162 VanDerWaalsContact N-ND1 3.19Å; G143-H162 WeakPolarHBondContact O-CB 3.38Å; G143-H162 PolarHBondContact O-N 3.38Å; G143-H162 PolarHBondContact O-ND1 2.96Å; G143-H162 VanDerWaalsContact O-ND1 3.11Å; H162-S192 VanDerWaalsContact C-OG 3.32Å; H162-S192 WeakPolarHBondContact CB-OG 3.21Å; H162-S192 PolarHBondContact O-N 2.92Å; H162-S192 PolarHBondContact O-OG 2.82Å; H162-R193 HydrophobicContact CB-CB 3.81Å; H162-R193 HydrophobicContact CB-CG 3.8Å; H162-R193 VanDerWaalsContact CD2-CD 3.43Å; H162-R193 WeakPolarHBondContact CD2-CD 3.38Å; H162-R193 PolarHBondContact CD2-NE 3.39Å; H162-R193 VanDerWaalsContact NE2-CZ 3.29Å; H162-R193 PolarHBondContact NE2-NH1 2.93Å; H162-D218 IonicContact NE2-OD1 3.66Å; H162-D218 IonicContact NE2-OD2 3.2Å; H162-D218 PolarHBondContact NE2-OD2 3.22Å
163K97.9Very high98.1Very high26 Ų2658.7 Ų58.711%0.11329%0.288CS..  trans-94.5139179-59.8-70-172.5-179.40110.7D144 D161 Y165 N166D144-K163 HydrophobicContact CB-CD 3.99Å; D144-K163 VanDerWaalsContact CB-CE 3.47Å; D144-K163 VanDerWaalsContact CB-NZ 3.33Å; D144-K163 IonicContact OD2-NZ 3.44Å; D144-K163 PolarHBondContact OD2-NZ 2.83Å; D161-K163 HydrophobicContact CB-CG 4.1Å; D161-K163 PolarHBondContact O-N 2.98Å; K163-Y165 HydrophobicContact CB-CD1 3.97Å; K163-Y165 HydrophobicContact CB-CD2 4.37Å; K163-Y165 HydrophobicContact CB-CE1 3.53Å; K163-Y165 HydrophobicContact CB-CE2 3.94Å; K163-Y165 HydrophobicContact CB-CG 4.4Å; K163-Y165 HydrophobicContact CD-CE1 4.38Å; K163-Y165 HydrophobicContact CG-CE1 4.04Å; K163-Y165 HydrophobicContact CG-CE2 4.47Å; K163-Y165 PolarHBondContact O-N 3.19Å; K163-N166 PolarHBondContact N-ND2 2.65Å; K163-N166 VanDerWaalsContact O-CB 3.27Å; K163-N166 WeakPolarHBondContact O-CB 3.29Å; K163-N166 PolarHBondContact O-N 3.02Å
164P98.1Very high98.1Very high0 Ų056.9 Ų56.90%028%0.283CS..THydrogen-bonded Turntrans-53.9-31.8-178.9-30.737000114.9N166 S170 I173 V180 S183 V185 A190P164-N166 VanDerWaalsContact C-N 3.29Å; P164-N166 PolarHBondContact O-N 3.46Å; P164-S170 WeakPolarHBondContact O-CA 3.5Å; P164-S170 WeakPolarHBondContact O-CB 3.4Å; P164-S170 PolarHBondContact O-N 3.01Å; P164-I173 HydrophobicContact CB-CD1 3.96Å; P164-V180 HydrophobicContact CB-CG1 3.99Å; P164-V180 HydrophobicContact CB-CG2 4.17Å; P164-V180 VanDerWaalsContact O-CG2 3.26Å; P164-V180 WeakPolarHBondContact O-CG2 3.32Å; P164-S183 WeakPolarHBondContact CG-O 3.27Å; P164-V185 HydrophobicContact CB-CG2 4.02Å; P164-V185 HydrophobicContact CG-CG2 3.73Å; P164-A190 WeakPolarHBondContact CD-O 3.4Å
165Y96.7Very high98.1Very high128 Ų12856.5 Ų56.550%0.50228%0.283SS..THydrogen-bonded Turntrans-79.3-5.8179.556.3-98.2000114.3K163K163-Y165 HydrophobicContact CB-CD1 3.97Å; K163-Y165 HydrophobicContact CB-CD2 4.37Å; K163-Y165 HydrophobicContact CB-CE1 3.53Å; K163-Y165 HydrophobicContact CB-CE2 3.94Å; K163-Y165 HydrophobicContact CB-CG 4.4Å; K163-Y165 HydrophobicContact CD-CE1 4.38Å; K163-Y165 HydrophobicContact CG-CE1 4.04Å; K163-Y165 HydrophobicContact CG-CE2 4.47Å; K163-Y165 PolarHBondContact O-N 3.19Å
166N97.8Very high98Very high48 Ų4855.6 Ų55.626%0.25728%0.279SS..SBendtrans-64.4141.2174.3-70.3-11.1000109.9D161 K163 P164 I168 E169 S170D161-N166 PolarHBondContact O-ND2 3.08Å; K163-N166 PolarHBondContact N-ND2 2.65Å; K163-N166 VanDerWaalsContact O-CB 3.27Å; K163-N166 WeakPolarHBondContact O-CB 3.29Å; K163-N166 PolarHBondContact O-N 3.02Å; P164-N166 VanDerWaalsContact C-N 3.29Å; P164-N166 PolarHBondContact O-N 3.46Å; N166-I168 PolarHBondContact O-N 3.36Å; N166-E169 HydrophobicContact CB-CB 4.18Å; N166-E169 HydrophobicContact CB-CG 3.83Å; N166-E169 PolarHBondContact O-N 3.01Å; N166-E169 VanDerWaalsContact O-N 3.12Å; N166-S170 WeakPolarHBondContact O-CB 3.32Å; N166-S170 PolarHBondContact O-N 3.44Å
167P97.6Very high98Very high108 Ų10854.6 Ų54.670%0.70129%0.294SS*.Hα-helixtrans-57.4-40.5-170-29.435.8000115.6R171P167-R171 WeakPolarHBondContact O-CB 3.48Å; P167-R171 PolarHBondContact O-N 2.85Å
168I97.5Very high97.9Very high130 Ų13053.5 Ų53.567%0.66729%0.29SS*.Hα-helixtrans-70.5-42.7179.5-62.2173.8000110.2N166 R171 R172N166-I168 PolarHBondContact O-N 3.36Å; I168-R171 PolarHBondContact O-N 3.16Å; I168-R172 PolarHBondContact O-N 2.69Å; I168-R172 VanDerWaalsContact O-N 3.07Å
169E98.4Very high97.9Very high8 Ų858.9 Ų58.94%0.03731%0.308CS..Hα-helixtrans-66.4-48.6-179.7-53.8-55.9121.400111.5N166 R171 R172 I173 S192 R193N166-E169 HydrophobicContact CB-CB 4.18Å; N166-E169 HydrophobicContact CB-CG 3.83Å; N166-E169 PolarHBondContact O-N 3.01Å; N166-E169 VanDerWaalsContact O-N 3.12Å; E169-R171 VanDerWaalsContact C-N 3.28Å; E169-R171 PolarHBondContact O-N 3.03Å; E169-R172 PolarHBondContact O-N 2.97Å; E169-R172 IonicContact OE2-CZ 3.61Å; E169-R172 IonicContact OE2-NE 3.67Å; E169-R172 IonicContact OE2-NH2 2.71Å; E169-R172 PolarHBondContact OE2-NH2 3.02Å; E169-I173 WeakPolarHBondContact O-CD1 3.45Å; E169-I173 VanDerWaalsContact O-CG1 3.28Å; E169-I173 WeakPolarHBondContact O-CG1 3.43Å; E169-I173 PolarHBondContact O-N 2.81Å; E169-S192 VanDerWaalsContact CD-OG 3.3Å; E169-S192 VanDerWaalsContact CG-OG 3.25Å; E169-S192 WeakPolarHBondContact CG-OG 3.48Å; E169-S192 WeakPolarHBondContact OE2-CB 3.25Å; E169-S192 PolarHBondContact OE2-OG 2.65Å; E169-R193 IonicContact OE1-CZ 3.66Å; E169-R193 IonicContact OE1-NE 3.98Å; E169-R193 PolarHBondContact OE1-NE 3.12Å; E169-R193 IonicContact OE1-NH2 3.51Å; E169-R193 PolarHBondContact OE1-NH2 2.91Å; E169-R193 WeakPolarHBondContact OE2-CG 3.49Å; E169-R193 IonicContact OE2-NE 2.63Å; E169-R193 PolarHBondContact OE2-NE 3.45Å
170S97.8Very high97.8Very high36 Ų3660.6 Ų60.625%0.25232%0.318SS..Hα-helixtrans-59.6-38.4177-178.10000112.2P164 N166 S174P164-S170 WeakPolarHBondContact O-CA 3.5Å; P164-S170 WeakPolarHBondContact O-CB 3.4Å; P164-S170 PolarHBondContact O-N 3.01Å; N166-S170 WeakPolarHBondContact O-CB 3.32Å; N166-S170 PolarHBondContact O-N 3.44Å; S170-S174 WeakPolarHBondContact O-CB 3.28Å; S170-S174 PolarHBondContact O-N 3.28Å; S170-S174 PolarHBondContact O-OG 3.46Å
171R98.1Very high97.7Very high166 Ų16659.4 Ų59.463%0.62631%0.314SS*.Hα-helixtrans-63.1-52.5174.4-177-177.3-59.6176.11.6111.1P167 I168 E169 I173 S174 E175P167-R171 WeakPolarHBondContact O-CB 3.48Å; P167-R171 PolarHBondContact O-N 2.85Å; I168-R171 PolarHBondContact O-N 3.16Å; E169-R171 VanDerWaalsContact C-N 3.28Å; E169-R171 PolarHBondContact O-N 3.03Å; R171-I173 VanDerWaalsContact C-N 3.33Å; R171-I173 PolarHBondContact O-N 3.37Å; R171-S174 PolarHBondContact O-N 3.46Å; R171-S174 VanDerWaalsContact O-N 3.16Å; R171-E175 WeakPolarHBondContact CD-OE1 3.3Å; R171-E175 HydrophobicContact CG-CG 4.37Å; R171-E175 WeakPolarHBondContact CG-OE1 3.45Å; R171-E175 WeakPolarHBondContact O-CB 3.48Å; R171-E175 WeakPolarHBondContact O-CG 3.32Å; R171-E175 PolarHBondContact O-N 3.41Å
172R98.5Very high97.5Very high26 Ų2666.2 Ų66.210%0.09835%0.349CS..Hα-helixtrans-55.3-48176.8174.1-176.953.595.41.8111.5I168 E169 S174 E175 A176 S192 T209 Q211 L212 V213I168-R172 PolarHBondContact O-N 2.69Å; I168-R172 VanDerWaalsContact O-N 3.07Å; E169-R172 PolarHBondContact O-N 2.97Å; E169-R172 IonicContact OE2-CZ 3.61Å; E169-R172 IonicContact OE2-NE 3.67Å; E169-R172 IonicContact OE2-NH2 2.71Å; E169-R172 PolarHBondContact OE2-NH2 3.02Å; R172-S174 VanDerWaalsContact C-N 3.32Å; R172-S174 PolarHBondContact O-N 3.09Å; R172-E175 PolarHBondContact O-N 2.69Å; R172-A176 WeakPolarHBondContact O-CB 3.25Å; R172-A176 PolarHBondContact O-N 3.01Å; R172-S192 PolarHBondContact NH1-O 3.44Å; R172-S192 PolarHBondContact NH2-O 3.48Å; R172-T209 WeakPolarHBondContact CD-O 3.13Å; R172-Q211 WeakPolarHBondContact CD-O 3.28Å; R172-Q211 WeakPolarHBondContact CG-O 3.5Å; R172-Q211 PolarHBondContact NH1-O 3.1Å; R172-L212 PolarHBondContact NH1-O 3.27Å; R172-V213 VanDerWaalsContact NH1-C 3.25Å; R172-V213 VanDerWaalsContact NH1-CA 3.3Å
173I98.5Very high97.3Very high0 Ų069 Ų690%037%0.369CS..Hα-helixtrans-57.4-45.3178-69.9159.2000111.1P164 E169 R171 A176 G177 G178 V180 V185 L212P164-I173 HydrophobicContact CB-CD1 3.96Å; E169-I173 WeakPolarHBondContact O-CD1 3.45Å; E169-I173 VanDerWaalsContact O-CG1 3.28Å; E169-I173 WeakPolarHBondContact O-CG1 3.43Å; E169-I173 PolarHBondContact O-N 2.81Å; R171-I173 VanDerWaalsContact C-N 3.33Å; R171-I173 PolarHBondContact O-N 3.37Å; I173-A176 PolarHBondContact O-N 3.41Å; I173-G177 PolarHBondContact O-N 3.11Å; I173-G178 WeakPolarHBondContact O-CA 3.36Å; I173-G178 PolarHBondContact O-N 3.44Å; I173-V180 HydrophobicContact CD1-CG2 3.91Å; I173-V180 HydrophobicContact CG2-CG2 4.27Å; I173-V185 HydrophobicContact CD1-CG2 3.81Å; I173-V185 HydrophobicContact CG1-CG2 4.43Å; I173-V185 HydrophobicContact CG2-CG1 4.22Å; I173-L212 WeakPolarHBondContact CG1-O 3.21Å; I173-L212 HydrophobicContact CG2-CD2 4.21Å
174S97.8Very high97.2Very high65 Ų6573.1 Ų73.146%0.45538%0.384SS..Hα-helixtrans-66.8-41.4179.8-58.30000112.2S170 R171 R172 A176 G177S170-S174 WeakPolarHBondContact O-CB 3.28Å; S170-S174 PolarHBondContact O-N 3.28Å; S170-S174 PolarHBondContact O-OG 3.46Å; R171-S174 PolarHBondContact O-N 3.46Å; R171-S174 VanDerWaalsContact O-N 3.16Å; R172-S174 VanDerWaalsContact C-N 3.32Å; R172-S174 PolarHBondContact O-N 3.09Å; S174-A176 VanDerWaalsContact C-N 3.31Å; S174-A176 PolarHBondContact O-N 2.9Å; S174-G177 PolarHBondContact O-N 3.43Å
175E97.7Very high97.2Very high104 Ų10473.1 Ų73.149%0.48638%0.384SS..Hα-helixtrans-65.2-35.4176.5-75.4177.1-169.900111.8R171 R172 G177 R206R171-E175 WeakPolarHBondContact CD-OE1 3.3Å; R171-E175 HydrophobicContact CG-CG 4.37Å; R171-E175 WeakPolarHBondContact CG-OE1 3.45Å; R171-E175 WeakPolarHBondContact O-CB 3.48Å; R171-E175 WeakPolarHBondContact O-CG 3.32Å; R171-E175 PolarHBondContact O-N 3.41Å; R172-E175 PolarHBondContact O-N 2.69Å; E175-G177 PolarHBondContact O-N 3.39Å; E175-R206 VanDerWaalsContact C-NH2 3.29Å; E175-R206 VanDerWaalsContact O-CZ 3.28Å; E175-R206 PolarHBondContact O-NE 2.96Å; E175-R206 PolarHBondContact O-NH2 2.95Å
176A98Very high97.1Very high8 Ų870.2 Ų70.27%0.06638%0.377CS..THydrogen-bonded Turntrans-744.1171.300000113.7R172 I173 S174 V203 E210 L212R172-A176 WeakPolarHBondContact O-CB 3.25Å; R172-A176 PolarHBondContact O-N 3.01Å; I173-A176 PolarHBondContact O-N 3.41Å; S174-A176 VanDerWaalsContact C-N 3.31Å; S174-A176 PolarHBondContact O-N 2.9Å; A176-V203 HydrophobicContact CB-CG2 4.26Å; A176-V203 WeakPolarHBondContact O-CG1 3.44Å; A176-V203 WeakPolarHBondContact O-CG2 3.44Å; A176-E210 WeakPolarHBondContact CB-O 3.25Å; A176-L212 HydrophobicContact CB-CD2 3.72Å; A176-L212 HydrophobicContact CB-CG 4.15Å
177G97.4Very high97Very high70 Ų7069.7 Ų69.772%0.72238%0.383SS*.THydrogen-bonded Turntrans85.74175.900000115.1I173 S174 E175I173-G177 PolarHBondContact O-N 3.11Å; S174-G177 PolarHBondContact O-N 3.43Å; E175-G177 PolarHBondContact O-N 3.39Å
178G97.4Very high96.9Very high6 Ų667.9 Ų67.96%0.06237%0.373CS..  trans-88.6-176.5174.900000113.4I173 N186I173-G178 WeakPolarHBondContact O-CA 3.36Å; I173-G178 PolarHBondContact O-N 3.44Å; G178-N186 VanDerWaalsContact CA-OD1 3.3Å; G178-N186 WeakPolarHBondContact CA-OD1 3.49Å
179K96.8Very high96.7Very high142 Ų14262.7 Ų62.762%0.61735%0.346SS*.  trans-139.5148.5175.8-63.8-179.2-176.2175.40110.6M181 N186K179-M181 HydrophobicContact CB-CG 4.2Å; K179-N186 PolarHBondContact N-OD1 3.04Å; K179-N186 WeakPolarHBondContact O-CA 3.27Å; K179-N186 PolarHBondContact O-N 3.44Å; K179-N186 PolarHBondContact O-OD1 3.2Å
180V97.3Very high96.6Very high41 Ų4163.9 Ų63.925%0.24836%0.358CS..EExtended strand (participates in β ladder)trans-90.3116167.2-176.70000108.3P164 I173 R184P164-V180 HydrophobicContact CB-CG1 3.99Å; P164-V180 HydrophobicContact CB-CG2 4.17Å; P164-V180 VanDerWaalsContact O-CG2 3.26Å; P164-V180 WeakPolarHBondContact O-CG2 3.32Å; I173-V180 HydrophobicContact CD1-CG2 3.91Å; I173-V180 HydrophobicContact CG2-CG2 4.27Å; V180-R184 WeakPolarHBondContact CA-O 3.46Å
181M95.7Very high96.6Very high104 Ų10462.6 Ų62.651%0.51235%0.348SS..EExtended strand (participates in β ladder)trans-125.9123.1-179.1-62.5176.763.700108.9K179 S183 R184K179-M181 HydrophobicContact CB-CG 4.2Å; M181-S183 VanDerWaalsContact C-N 3.25Å; M181-S183 PolarHBondContact O-N 3.03Å; M181-R184 PolarHBondContact N-O 2.86Å; M181-R184 WeakPolarHBondContact O-CB 3.35Å; M181-R184 PolarHBondContact O-N 2.76Å
182L93.3Very high96.6Very high169 Ų16954.7 Ų54.789%0.88532%0.318SS*.THydrogen-bonded Turntrans49.347.1-177.4-56.8175.4000112.4R184L182-R184 PolarHBondContact O-N 2.79Å
183S94.3Very high96.6Very high64 Ų6454.3 Ų54.345%0.44832%0.317SS..THydrogen-bonded Turntrans66.19.6-177.3-58.80000116.2P164 M181P164-S183 WeakPolarHBondContact CG-O 3.27Å; M181-S183 VanDerWaalsContact C-N 3.25Å; M181-S183 PolarHBondContact O-N 3.03Å
184R97.3Very high96.6Very high112 Ų11254.3 Ų54.342%0.42332%0.317SS..EExtended strand (participates in β ladder)trans-119.3147.5-176.6-66.2172.4176.6-85.7-10.7112.9V180 M181 L182 N186 G187 S188 L189 A190V180-R184 WeakPolarHBondContact CA-O 3.46Å; M181-R184 PolarHBondContact N-O 2.86Å; M181-R184 WeakPolarHBondContact O-CB 3.35Å; M181-R184 PolarHBondContact O-N 2.76Å; L182-R184 PolarHBondContact O-N 2.79Å; R184-N186 PolarHBondContact O-N 2.83Å; R184-G187 WeakPolarHBondContact CD-O 3.17Å; R184-G187 PolarHBondContact O-N 3.45Å; R184-S188 WeakPolarHBondContact CD-O 3.45Å; R184-S188 PolarHBondContact NH1-O 3.07Å; R184-L189 CarbonylContact C-O 3.46Å; R184-L189 WeakPolarHBondContact CA-O 3.35Å; R184-L189 VanDerWaalsContact CB-O 3.27Å; R184-L189 WeakPolarHBondContact CB-O 3.35Å; R184-A190 HydrophobicContact CG-CB 4.46Å
185V96.6Very high96.7Very high0 Ų051.2 Ų51.20%030%0.296CS..EExtended strand (participates in β ladder)trans-65.8117.9171.2-171.30000108.8P164 I173 G187 S188 L189 V191 Y200 L212P164-V185 HydrophobicContact CB-CG2 4.02Å; P164-V185 HydrophobicContact CG-CG2 3.73Å; I173-V185 HydrophobicContact CD1-CG2 3.81Å; I173-V185 HydrophobicContact CG1-CG2 4.43Å; I173-V185 HydrophobicContact CG2-CG1 4.22Å; V185-G187 PolarHBondContact O-N 3.44Å; V185-S188 PolarHBondContact O-N 2.89Å; V185-L189 HydrophobicContact CB-CB 4.26Å; V185-L189 PolarHBondContact N-O 2.92Å; V185-L189 PolarHBondContact O-N 3.49Å; V185-V191 WeakPolarHBondContact CG2-O 3.06Å; V185-Y200 HydrophobicContact CB-CE1 4.46Å; V185-Y200 HydrophobicContact CG1-CD1 4.01Å; V185-Y200 HydrophobicContact CG1-CE1 4.15Å; V185-L212 HydrophobicContact CG1-CB 4.14Å
186N96.5Very high96.7Very high68 Ų6846.3 Ų46.336%0.36427%0.272SS..THydrogen-bonded Turntrans49.330.4-174.9-63.1-22.8000113.5G178 K179 R184 S188G178-N186 VanDerWaalsContact CA-OD1 3.3Å; G178-N186 WeakPolarHBondContact CA-OD1 3.49Å; K179-N186 PolarHBondContact N-OD1 3.04Å; K179-N186 WeakPolarHBondContact O-CA 3.27Å; K179-N186 PolarHBondContact O-N 3.44Å; K179-N186 PolarHBondContact O-OD1 3.2Å; R184-N186 PolarHBondContact O-N 2.83Å; N186-S188 PolarHBondContact O-N 3.23Å
187G94.7Very high96.7Very high36 Ų3646 Ų4637%0.37127%0.27SS..THydrogen-bonded Turntrans760.5-178.100000115.4R184 V185R184-G187 WeakPolarHBondContact CD-O 3.17Å; R184-G187 PolarHBondContact O-N 3.45Å; V185-G187 PolarHBondContact O-N 3.44Å
188S94.9Very high96.6Very high71 Ų7143.5 Ų43.550%0.49724%0.239SC..THydrogen-bonded Turntrans-108.5-67-172.2-58.90000112.1R184 V185 N186 Y200R184-S188 WeakPolarHBondContact CD-O 3.45Å; R184-S188 PolarHBondContact NH1-O 3.07Å; V185-S188 PolarHBondContact O-N 2.89Å; N186-S188 PolarHBondContact O-N 3.23Å; S188-Y200 WeakPolarHBondContact CB-OH 3.22Å
189L94.9Very high96.5Very high20 Ų2048.8 Ų48.811%0.10526%0.262CS..BIsolated β-bridgetrans-87.1131.9-170.8-166.565.8000112.7R184 V185 V191 Y200 V213R184-L189 CarbonylContact C-O 3.46Å; R184-L189 WeakPolarHBondContact CA-O 3.35Å; R184-L189 VanDerWaalsContact CB-O 3.27Å; R184-L189 WeakPolarHBondContact CB-O 3.35Å; V185-L189 HydrophobicContact CB-CB 4.26Å; V185-L189 PolarHBondContact N-O 2.92Å; V185-L189 PolarHBondContact O-N 3.49Å; L189-V191 HydrophobicContact CD1-CG2 4.08Å; L189-V191 HydrophobicContact CD2-CG2 3.86Å; L189-V191 HydrophobicContact CG-CG2 3.76Å; L189-Y200 HydrophobicContact CB-CE1 4.36Å; L189-Y200 HydrophobicContact CB-CE2 4.39Å; L189-Y200 HydrophobicContact CD2-CD2 4.22Å; L189-Y200 HydrophobicContact CD2-CE2 4.21Å; L189-V213 HydrophobicContact CD2-CG2 3.51Å
190A95.9Very high96.5Very high34 Ų3443.1 Ų43.128%0.28124%0.237SC..SBendtrans-85-13.8-176.600000114.5P164 R184P164-A190 WeakPolarHBondContact CD-O 3.4Å; R184-A190 HydrophobicContact CG-CB 4.46Å
191V97.5Very high96.5Very high8 Ų842.7 Ų42.75%0.04823%0.232CC..  trans-104.8148.1176.5-66.70000110.8T126 D144 V185 L189T126-V191 HydrophobicContact CG2-CG1 4.08Å; D144-V191 HydrophobicContact CB-CG1 4.31Å; D144-V191 WeakPolarHBondContact OD1-CG1 3.44Å; D144-V191 VanDerWaalsContact OD2-CG1 3.31Å; D144-V191 WeakPolarHBondContact OD2-CG1 3.46Å; V185-V191 WeakPolarHBondContact CG2-O 3.06Å; L189-V191 HydrophobicContact CD1-CG2 4.08Å; L189-V191 HydrophobicContact CD2-CG2 3.86Å; L189-V191 HydrophobicContact CG-CG2 3.76Å
192S98.3Very high96.5Very high0 Ų044.5 Ų44.50%024%0.239CC..SBendtrans-96.2-19.7172.371.70000112.6H162 E169 R172 V213 S214H162-S192 VanDerWaalsContact C-OG 3.32Å; H162-S192 WeakPolarHBondContact CB-OG 3.21Å; H162-S192 PolarHBondContact O-N 2.92Å; H162-S192 PolarHBondContact O-OG 2.82Å; E169-S192 VanDerWaalsContact CD-OG 3.3Å; E169-S192 VanDerWaalsContact CG-OG 3.25Å; E169-S192 WeakPolarHBondContact CG-OG 3.48Å; E169-S192 WeakPolarHBondContact OE2-CB 3.25Å; E169-S192 PolarHBondContact OE2-OG 2.65Å; R172-S192 PolarHBondContact NH1-O 3.44Å; R172-S192 PolarHBondContact NH2-O 3.48Å; S192-V213 VanDerWaalsContact O-CA 3.32Å; S192-V213 WeakPolarHBondContact O-CA 3.45Å; S192-S214 PolarHBondContact O-N 3.27Å
193R98.7Very high96.6Very high19 Ų1938.4 Ų38.47%0.07221%0.209CC..BIsolated β-bridgetrans-131139.2179.2-59.9-160.7-163.616914.6110.3G143 H162 E169 S214 E216 D218G143-R193 WeakPolarHBondContact CA-O 3.46Å; G143-R193 PolarHBondContact N-O 2.88Å; H162-R193 HydrophobicContact CB-CB 3.81Å; H162-R193 HydrophobicContact CB-CG 3.8Å; H162-R193 VanDerWaalsContact CD2-CD 3.43Å; H162-R193 WeakPolarHBondContact CD2-CD 3.38Å; H162-R193 PolarHBondContact CD2-NE 3.39Å; H162-R193 VanDerWaalsContact NE2-CZ 3.29Å; H162-R193 PolarHBondContact NE2-NH1 2.93Å; E169-R193 IonicContact OE1-CZ 3.66Å; E169-R193 IonicContact OE1-NE 3.98Å; E169-R193 PolarHBondContact OE1-NE 3.12Å; E169-R193 IonicContact OE1-NH2 3.51Å; E169-R193 PolarHBondContact OE1-NH2 2.91Å; E169-R193 WeakPolarHBondContact OE2-CG 3.49Å; E169-R193 IonicContact OE2-NE 2.63Å; E169-R193 PolarHBondContact OE2-NE 3.45Å; R193-S214 WeakPolarHBondContact CA-O 3.37Å; R193-S214 WeakPolarHBondContact CB-O 3.38Å; R193-E216 WeakPolarHBondContact CD-O 3.3Å; R193-E216 PolarHBondContact NH1-O 3.28Å; R193-D218 IonicContact CZ-OD1 3.21Å; R193-D218 IonicContact NH1-OD1 2.81Å; R193-D218 PolarHBondContact NH1-OD1 3.46Å; R193-D218 IonicContact NH2-OD1 2.75Å; R193-D218 PolarHBondContact NH2-OD1 3Å
194S98.6Very high96.7Very high0 Ų042.5 Ų42.50%023%0.225CC..  trans-171.1159.2178.656.70000110.1S125 D197 K201 V213 S214 P215S125-S194 WeakPolarHBondContact O-CA 3.34Å; S125-S194 WeakPolarHBondContact O-CB 3.44Å; S194-D197 WeakPolarHBondContact CB-OD2 3.23Å; S194-D197 PolarHBondContact OG-OD2 2.86Å; S194-K201 PolarHBondContact O-NZ 2.96Å; S194-V213 WeakPolarHBondContact OG-CG1 3.49Å; S194-S214 PolarHBondContact N-O 2.82Å; S194-S214 VanDerWaalsContact N-O 3.13Å; S194-P215 WeakPolarHBondContact O-CA 3.29Å
195L98.7Very high96.5Very high0 Ų045.1 Ų45.10%025%0.247CC..EExtended strand (participates in β ladder)trans-82.4151.8161-64.7166.1000108.7V67 C71 L75 F107 F110 D111 L114 G124 S125 A127 P215V67-L195 HydrophobicContact CG1-CB 4.06Å; C71-L195 WeakPolarHBondContact SG-CD1 3.36Å; L75-L195 HydrophobicContact CD1-CD1 4.4Å; L75-L195 HydrophobicContact CD2-CD1 4.26Å; F107-L195 HydrophobicContact CD1-CD1 4.2Å; F107-L195 HydrophobicContact CD1-CD2 4.18Å; F107-L195 HydrophobicContact CD1-CG 4.37Å; F107-L195 HydrophobicContact CE1-CD1 4.3Å; F110-L195 HydrophobicContact CD1-CD1 3.99Å; F110-L195 HydrophobicContact CD1-CD2 4.43Å; F110-L195 HydrophobicContact CE1-CD1 4.33Å; D111-L195 HydrophobicContact CB-CD2 3.72Å; D111-L195 WeakPolarHBondContact OD1-CA 3.41Å; L114-L195 HydrophobicContact CD1-CB 4.39Å; G124-L195 CarbonylContact C-O 3.4Å; G124-L195 WeakPolarHBondContact CA-O 3.42Å; S125-L195 PolarHBondContact N-O 3.18Å; S125-L195 PolarHBondContact O-N 3.25Å; A127-L195 HydrophobicContact CB-CD1 4.22Å; L195-P215 HydrophobicContact CD2-CB 4.03Å
196G98.1Very high96.5Very high0 Ų049 Ų490%026%0.262CS..EExtended strand (participates in β ladder)trans77.9-141.2-173.600000112.2D111 F198 K201D111-G196 PolarHBondContact OD1-N 2.82Å; G196-F198 VanDerWaalsContact C-N 3.26Å; G196-F198 PolarHBondContact O-N 3.4Å; G196-K201 WeakPolarHBondContact O-CD 3.48Å; G196-K201 WeakPolarHBondContact O-CE 3.33Å; G196-K201 PolarHBondContact O-NZ 3.22Å
197D97.3Very high96.5Very high3 Ų347.4 Ų47.42%0.01626%0.261CS..  trans52.541179.6-69-49.9000113.6H62 S123 S194 E199 Y200 V213H62-D197 IonicContact CD2-OD1 3.42Å; H62-D197 IonicContact CE1-OD1 2.83Å; H62-D197 IonicContact CE1-OD2 3.43Å; H62-D197 PolarHBondContact CE1-OD2 3.45Å; H62-D197 IonicContact NE2-OD1 2.81Å; H62-D197 PolarHBondContact NE2-OD1 3.02Å; H62-D197 IonicContact NE2-OD2 3.74Å; H62-D197 PolarHBondContact NE2-OD2 2.79Å; S123-D197 PolarHBondContact O-N 3.39Å; S123-D197 VanDerWaalsContact O-N 3.15Å; S194-D197 WeakPolarHBondContact CB-OD2 3.23Å; S194-D197 PolarHBondContact OG-OD2 2.86Å; D197-E199 PolarHBondContact O-N 2.83Å; D197-E199 VanDerWaalsContact O-N 3.07Å; D197-Y200 HydrophobicContact CB-CD2 4.03Å; D197-Y200 WeakPolarHBondContact O-CB 3.41Å; D197-Y200 PolarHBondContact O-N 3.11Å; D197-V213 HydrophobicContact CB-CG1 4.3Å
198F96.4Very high96.6Very high16 Ų1649 Ų497%0.0726%0.263CS..G310 helixtrans-62.1-24.2-169-57.7-53.7000113.8D111 L114 A115 E121 G196 Y200 K201 Q202D111-F198 WeakPolarHBondContact O-CE1 3.17Å; L114-F198 HydrophobicContact CB-CE2 4.36Å; L114-F198 HydrophobicContact CB-CZ 3.62Å; A115-F198 HydrophobicContact CB-CD1 3.83Å; A115-F198 HydrophobicContact CB-CD2 4.46Å; A115-F198 HydrophobicContact CB-CE1 3.57Å; A115-F198 HydrophobicContact CB-CE2 4.21Å; A115-F198 HydrophobicContact CB-CG 4.3Å; A115-F198 HydrophobicContact CB-CZ 3.78Å; A115-F198 VanDerWaalsContact N-CZ 3.27Å; E121-F198 HydrophobicContact CB-CD2 4.49Å; E121-F198 HydrophobicContact CB-CE2 4.29Å; G196-F198 VanDerWaalsContact C-N 3.26Å; G196-F198 PolarHBondContact O-N 3.4Å; F198-Y200 PolarHBondContact O-N 2.82Å; F198-K201 HydrophobicContact CD1-CD 4.29Å; F198-K201 PolarHBondContact O-N 3Å; F198-Q202 WeakPolarHBondContact O-CG 3.37Å; F198-Q202 PolarHBondContact O-NE2 2.95Å
199E95.2Very high96.7Very high117 Ų11747.6 Ų47.655%0.54725%0.252SS..G310 helixtrans-60.2-24.9172.969175.9-172.200113.1D197D197-E199 PolarHBondContact O-N 2.83Å; D197-E199 VanDerWaalsContact O-N 3.07Å
200Y97Very high96.9Very high24 Ų2450.9 Ų50.99%0.09427%0.267CS..G310 helixtrans-91.81176.4-64.3-87.8000113.3V185 S188 L189 D197 F198 L212 V213V185-Y200 HydrophobicContact CB-CE1 4.46Å; V185-Y200 HydrophobicContact CG1-CD1 4.01Å; V185-Y200 HydrophobicContact CG1-CE1 4.15Å; S188-Y200 WeakPolarHBondContact CB-OH 3.22Å; L189-Y200 HydrophobicContact CB-CE1 4.36Å; L189-Y200 HydrophobicContact CB-CE2 4.39Å; L189-Y200 HydrophobicContact CD2-CD2 4.22Å; L189-Y200 HydrophobicContact CD2-CE2 4.21Å; D197-Y200 HydrophobicContact CB-CD2 4.03Å; D197-Y200 WeakPolarHBondContact O-CB 3.41Å; D197-Y200 PolarHBondContact O-N 3.11Å; F198-Y200 PolarHBondContact O-N 2.82Å; Y200-L212 HydrophobicContact CD1-CB 4.3Å; Y200-L212 HydrophobicContact CD1-CD1 4.21Å; Y200-L212 WeakPolarHBondContact O-CB 3.29Å; Y200-L212 PolarHBondContact O-N 2.67Å; Y200-V213 VanDerWaalsContact CB-CG2 3.45Å; Y200-V213 HydrophobicContact CD1-CG2 4.15Å; Y200-V213 HydrophobicContact CD2-CG2 4.33Å; Y200-V213 HydrophobicContact CG-CG2 3.73Å
201K96.8Very high97Very high31 Ų3149.8 Ų49.814%0.13526%0.256CS..SBendtrans-118.124.1-172.8-62.7177.5179172.70113.7D111 S194 G196 F198 Q211 V213D111-K201 IonicContact OD1-NZ 2.76Å; D111-K201 PolarHBondContact OD1-NZ 3.44Å; D111-K201 IonicContact OD2-NZ 3.79Å; D111-K201 PolarHBondContact OD2-NZ 3.42Å; S194-K201 PolarHBondContact O-NZ 2.96Å; G196-K201 WeakPolarHBondContact O-CD 3.48Å; G196-K201 WeakPolarHBondContact O-CE 3.33Å; G196-K201 PolarHBondContact O-NZ 3.22Å; F198-K201 HydrophobicContact CD1-CD 4.29Å; F198-K201 PolarHBondContact O-N 3Å; K201-Q211 HydrophobicContact CB-CB 4.34Å; K201-Q211 HydrophobicContact CB-CG 4.07Å; K201-Q211 HydrophobicContact CG-CB 4.16Å; K201-Q211 HydrophobicContact CG-CG 4.33Å; K201-Q211 PolarHBondContact O-OE1 2.87Å; K201-V213 WeakPolarHBondContact CE-O 3.49Å; K201-V213 WeakPolarHBondContact CG-O 3.21Å
202Q94.9Very high97Very high142 Ų14250.2 Ų50.266%0.66426%0.258SS*.  trans-111.314.2-175-67.6173.812.900114.1F198 L204F198-Q202 WeakPolarHBondContact O-CG 3.37Å; F198-Q202 PolarHBondContact O-NE2 2.95Å; Q202-L204 PolarHBondContact O-N 3.27Å
203V96.7Very high97Very high41 Ų4150.2 Ų50.225%0.24826%0.258CS..  trans-70.8116.6-179.4-175.90000109.6A176 R206 Q211 L212A176-V203 HydrophobicContact CB-CG2 4.26Å; A176-V203 WeakPolarHBondContact O-CG1 3.44Å; A176-V203 WeakPolarHBondContact O-CG2 3.44Å; V203-R206 HydrophobicContact CB-CB 4.32Å; V203-R206 HydrophobicContact CB-CG 4.15Å; V203-R206 HydrophobicContact CG1-CB 4.33Å; V203-R206 HydrophobicContact CG1-CG 3.65Å; V203-R206 PolarHBondContact O-N 2.97Å; V203-Q211 PolarHBondContact O-NE2 2.84Å; V203-L212 HydrophobicContact CG2-CD1 4.34Å; V203-L212 HydrophobicContact CG2-CG 4.04Å
204L95.2Very high97Very high150 Ų15049.4 Ų49.479%0.78526%0.255SS*.THydrogen-bonded Turntrans-59.4143.6177.3-62.3177.1000110.9Q202 R206Q202-L204 PolarHBondContact O-N 3.27Å; L204-R206 PolarHBondContact O-N 2.79Å
205N93.7Very high97Very high167 Ų16749.4 Ų49.489%0.89326%0.255SS*.THydrogen-bonded Turntrans62.223.1179.6-49.2-50.8000115.2
206R95.8Very high97Very high83 Ų8352.4 Ų52.431%0.31327%0.269SS..  trans-117.3139171-68.4-65-178.6-178.8-2.8110.1E175 V203 L204 E210 Q211E175-R206 VanDerWaalsContact C-NH2 3.29Å; E175-R206 VanDerWaalsContact O-CZ 3.28Å; E175-R206 PolarHBondContact O-NE 2.96Å; E175-R206 PolarHBondContact O-NH2 2.95Å; V203-R206 HydrophobicContact CB-CB 4.32Å; V203-R206 HydrophobicContact CB-CG 4.15Å; V203-R206 HydrophobicContact CG1-CB 4.33Å; V203-R206 HydrophobicContact CG1-CG 3.65Å; V203-R206 PolarHBondContact O-N 2.97Å; L204-R206 PolarHBondContact O-N 2.79Å; R206-E210 HydrophobicContact CB-CB 4.09Å; R206-Q211 PolarHBondContact O-NE2 3.25Å; R206-Q211 VanDerWaalsContact O-NE2 3.1Å
207G96.6Very high97.1Very high33 Ų3352.6 Ų52.634%0.3427%0.27SS..  trans-64.2168.8171.600000112.1T209 E210 Q211G207-T209 PolarHBondContact O-N 3.21Å; G207-E210 PolarHBondContact N-OE2 3.24Å; G207-E210 PolarHBondContact O-N 3.13Å; G207-Q211 PolarHBondContact O-NE2 2.64Å
208V97Very high97.1Very high70 Ų7054.8 Ų54.842%0.42428%0.282SS..G310 helixtrans-56.9-38.1-178.81790000111.9L108 Q211 P215L108-V208 HydrophobicContact CD2-CG1 4.13Å; V208-Q211 WeakPolarHBondContact O-CG 3.46Å; V208-P215 HydrophobicContact CG1-CG 3.7Å; V208-P215 WeakPolarHBondContact O-CD 3.46Å
209T97.7Very high97.2Very high41 Ų4155.2 Ų55.225%0.25228%0.284SS..G310 helixtrans-89.4-3.7-178.9640000113.5L108 R172 G207 S214 E216L108-T209 HydrophobicContact CD1-CG2 4.28Å; L108-T209 HydrophobicContact CD2-CG2 3.87Å; R172-T209 WeakPolarHBondContact CD-O 3.13Å; G207-T209 PolarHBondContact O-N 3.21Å; T209-S214 PolarHBondContact O-OG 2.95Å; T209-E216 WeakPolarHBondContact CB-OE2 3.27Å; T209-E216 HydrophobicContact CG2-CB 3.76Å; T209-E216 HydrophobicContact CG2-CG 4.24Å
210E98.2Very high97.4Very high90 Ų9051.3 Ų51.342%0.42127%0.266SS..G310 helixtrans-104.39.1-178.7-55.3-179.5138.200112.5A176 R206 G207A176-E210 WeakPolarHBondContact CB-O 3.25Å; R206-E210 HydrophobicContact CB-CB 4.09Å; G207-E210 PolarHBondContact N-OE2 3.24Å; G207-E210 PolarHBondContact O-N 3.13Å
211Q98.5Very high97.5Very high11 Ų1152.7 Ų52.75%0.05127%0.274CS..SBendtrans-71.5174.3177.2-65.1-58.8-38.100111.9R172 K201 V203 R206 G207 V208 V213R172-Q211 WeakPolarHBondContact CD-O 3.28Å; R172-Q211 WeakPolarHBondContact CG-O 3.5Å; R172-Q211 PolarHBondContact NH1-O 3.1Å; K201-Q211 HydrophobicContact CB-CB 4.34Å; K201-Q211 HydrophobicContact CB-CG 4.07Å; K201-Q211 HydrophobicContact CG-CB 4.16Å; K201-Q211 HydrophobicContact CG-CG 4.33Å; K201-Q211 PolarHBondContact O-OE1 2.87Å; V203-Q211 PolarHBondContact O-NE2 2.84Å; R206-Q211 PolarHBondContact O-NE2 3.25Å; R206-Q211 VanDerWaalsContact O-NE2 3.1Å; G207-Q211 PolarHBondContact O-NE2 2.64Å; V208-Q211 WeakPolarHBondContact O-CG 3.46Å; Q211-V213 WeakPolarHBondContact CB-O 3.38Å; Q211-V213 PolarHBondContact O-N 2.86Å
212L98.2Very high97.5Very high17 Ų1752.2 Ų52.29%0.08927%0.274CS..SBendtrans-60.9-36.1174-62170.6000111.1R172 I173 A176 V185 Y200 V203R172-L212 PolarHBondContact NH1-O 3.27Å; I173-L212 WeakPolarHBondContact CG1-O 3.21Å; I173-L212 HydrophobicContact CG2-CD2 4.21Å; A176-L212 HydrophobicContact CB-CD2 3.72Å; A176-L212 HydrophobicContact CB-CG 4.15Å; V185-L212 HydrophobicContact CG1-CB 4.14Å; Y200-L212 HydrophobicContact CD1-CB 4.3Å; Y200-L212 HydrophobicContact CD1-CD1 4.21Å; Y200-L212 WeakPolarHBondContact O-CB 3.29Å; Y200-L212 PolarHBondContact O-N 2.67Å; V203-L212 HydrophobicContact CG2-CD1 4.34Å; V203-L212 HydrophobicContact CG2-CG 4.04Å
213V98.3Very high97.7Very high0 Ų051.3 Ų51.30%027%0.27CS..SBendtrans-122.5126174175.80000109.1R172 L189 S192 S194 D197 Y200 K201 Q211R172-V213 VanDerWaalsContact NH1-C 3.25Å; R172-V213 VanDerWaalsContact NH1-CA 3.3Å; L189-V213 HydrophobicContact CD2-CG2 3.51Å; S192-V213 VanDerWaalsContact O-CA 3.32Å; S192-V213 WeakPolarHBondContact O-CA 3.45Å; S194-V213 WeakPolarHBondContact OG-CG1 3.49Å; D197-V213 HydrophobicContact CB-CG1 4.3Å; Y200-V213 VanDerWaalsContact CB-CG2 3.45Å; Y200-V213 HydrophobicContact CD1-CG2 4.15Å; Y200-V213 HydrophobicContact CD2-CG2 4.33Å; Y200-V213 HydrophobicContact CG-CG2 3.73Å; K201-V213 WeakPolarHBondContact CE-O 3.49Å; K201-V213 WeakPolarHBondContact CG-O 3.21Å; Q211-V213 WeakPolarHBondContact CB-O 3.38Å; Q211-V213 PolarHBondContact O-N 2.86Å
214S98.7Very high97.8Very high1 Ų151 Ų511%0.00726%0.264CS..BIsolated β-bridgetrans-103.1133.8-174.7178.10000110.1S192 R193 S194 T209 E216S192-S214 PolarHBondContact O-N 3.27Å; R193-S214 WeakPolarHBondContact CA-O 3.37Å; R193-S214 WeakPolarHBondContact CB-O 3.38Å; S194-S214 PolarHBondContact N-O 2.82Å; S194-S214 VanDerWaalsContact N-O 3.13Å; T209-S214 PolarHBondContact O-OG 2.95Å; S214-E216 WeakPolarHBondContact OG-CB 3.5Å; S214-E216 PolarHBondContact OG-N 3.09Å; S214-E216 VanDerWaalsContact OG-N 3.15Å
215P98.7Very high97.9Very high0 Ų049.3 Ų49.30%025%0.25CS..  trans-81.70.1170.932.9-33.5000113.2L108 D111 S194 L195 V208 P217L108-P215 HydrophobicContact CD2-CB 4.4Å; L108-P215 HydrophobicContact CD2-CG 3.73Å; D111-P215 HydrophobicContact CB-CB 3.79Å; D111-P215 HydrophobicContact CB-CG 4.23Å; D111-P215 WeakPolarHBondContact OD2-CB 3.3Å; D111-P215 WeakPolarHBondContact OD2-CG 3.34Å; S194-P215 WeakPolarHBondContact O-CA 3.29Å; L195-P215 HydrophobicContact CD2-CB 4.03Å; V208-P215 HydrophobicContact CG1-CG 3.7Å; V208-P215 WeakPolarHBondContact O-CD 3.46Å; P215-P217 WeakPolarHBondContact O-CD 3.28Å
216E98.7Very high98Very high64 Ų6446.8 Ų46.830%0.29923%0.231SC..PPolyproline II helixtrans-73.5120-175.7-173.1172.8-150.600112.3I104 R193 T209 S214I104-E216 HydrophobicContact CG2-CG 4.33Å; R193-E216 WeakPolarHBondContact CD-O 3.3Å; R193-E216 PolarHBondContact NH1-O 3.28Å; T209-E216 WeakPolarHBondContact CB-OE2 3.27Å; T209-E216 HydrophobicContact CG2-CB 3.76Å; T209-E216 HydrophobicContact CG2-CG 4.24Å; S214-E216 WeakPolarHBondContact OG-CB 3.5Å; S214-E216 PolarHBondContact OG-N 3.09Å; S214-E216 VanDerWaalsContact OG-N 3.15Å
217P98.8Very high98.1Very high3 Ų350.7 Ų50.72%0.01925%0.253CS..PPolyproline II helixtrans-80.9146.8176.333.9-36.1000112.2I103 I104 F107 A140 N141 C142 P215 I219I103-P217 HydrophobicContact CG2-CG 4.4Å; I104-P217 HydrophobicContact CG1-CG 4.24Å; F107-P217 HydrophobicContact CB-CG 4.02Å; F107-P217 HydrophobicContact CD1-CB 3.97Å; F107-P217 HydrophobicContact CD1-CG 3.86Å; F107-P217 HydrophobicContact CD2-CB 4.43Å; F107-P217 HydrophobicContact CD2-CG 3.81Å; F107-P217 HydrophobicContact CE1-CB 3.9Å; F107-P217 HydrophobicContact CE1-CG 4.22Å; F107-P217 HydrophobicContact CE2-CB 4.36Å; F107-P217 HydrophobicContact CE2-CG 4.17Å; F107-P217 HydrophobicContact CG-CB 4.24Å; F107-P217 HydrophobicContact CG-CG 3.63Å; F107-P217 HydrophobicContact CZ-CB 4.1Å; F107-P217 HydrophobicContact CZ-CG 4.36Å; A140-P217 HydrophobicContact CB-CB 4.19Å; N141-P217 CarbonylContact O-C 3.59Å; N141-P217 VanDerWaalsContact O-CA 3.23Å; N141-P217 WeakPolarHBondContact O-CA 3.48Å; C142-P217 HydrophobicContact CB-CB 4.24Å; P215-P217 WeakPolarHBondContact O-CD 3.28Å; P217-I219 HydrophobicContact CB-CD1 4.1Å; P217-I219 HydrophobicContact CG-CD1 3.9Å
218D98.6Very high98.2Very high50 Ų5053.5 Ų53.527%0.26726%0.256SS..EExtended strand (participates in β ladder)trans-81.8132.6162.9-82.16.7000109.7A140 N141 H162 R193 F220A140-D218 CarbonylContact C-O 3.6Å; A140-D218 VanDerWaalsContact CA-O 3.27Å; A140-D218 WeakPolarHBondContact CA-O 3.09Å; N141-D218 PolarHBondContact N-O 3.4Å; N141-D218 PolarHBondContact O-N 3.4Å; H162-D218 IonicContact NE2-OD1 3.66Å; H162-D218 IonicContact NE2-OD2 3.2Å; H162-D218 PolarHBondContact NE2-OD2 3.22Å; R193-D218 IonicContact CZ-OD1 3.21Å; R193-D218 IonicContact NH1-OD1 2.81Å; R193-D218 PolarHBondContact NH1-OD1 3.46Å; R193-D218 IonicContact NH2-OD1 2.75Å; R193-D218 PolarHBondContact NH2-OD1 3Å; D218-F220 HydrophobicContact CB-CE2 3.79Å; D218-F220 HydrophobicContact CB-CZ 4.14Å
219I98.7Very high98.3Very high24 Ų2450.2 Ų50.212%0.12324%0.236CC..EExtended strand (participates in β ladder)trans-110.6129.1-175.1-48.9-57.9000111.3K100 I103 I104 I138 A140 P217 I221K100-I219 HydrophobicContact CB-CG2 4.39Å; K100-I219 HydrophobicContact CD-CB 4.46Å; K100-I219 HydrophobicContact CG-CB 4Å; K100-I219 HydrophobicContact CG-CG1 3.96Å; K100-I219 HydrophobicContact CG-CG2 4.18Å; I103-I219 HydrophobicContact CB-CD1 3.95Å; I103-I219 HydrophobicContact CG2-CD1 3.52Å; I104-I219 HydrophobicContact CD1-CG1 4.25Å; I104-I219 HydrophobicContact CG1-CD1 4.37Å; I104-I219 HydrophobicContact CG1-CG1 3.99Å; I138-I219 HydrophobicContact CG2-CG2 4.25Å; A140-I219 HydrophobicContact CB-CD1 3.36Å; P217-I219 HydrophobicContact CB-CD1 4.1Å; P217-I219 HydrophobicContact CG-CD1 3.9Å; I219-I221 HydrophobicContact CG2-CD1 4.14Å; I219-I221 HydrophobicContact CG2-CG1 3.87Å
220F98.7Very high98.3Very high36 Ų3648.9 Ų48.916%0.15823%0.227CC..EExtended strand (participates in β ladder)trans-121116.8178.9-55.4-97.2000109I138 M139 L157 T159 D218I138-F220 CarbonylContact C-O 3.48Å; I138-F220 WeakPolarHBondContact CA-O 3.33Å; M139-F220 HydrophobicContact CB-CB 4.34Å; M139-F220 PolarHBondContact N-O 2.86Å; M139-F220 PolarHBondContact O-N 2.91Å; L157-F220 HydrophobicContact CD1-CB 4.15Å; L157-F220 HydrophobicContact CD1-CD1 4.43Å; L157-F220 HydrophobicContact CD2-CB 4.16Å; L157-F220 HydrophobicContact CD2-CD1 4.13Å; L157-F220 HydrophobicContact CD2-CG 4.21Å; T159-F220 HydrophobicContact CG2-CD2 3.86Å; T159-F220 HydrophobicContact CG2-CE2 3.93Å; D218-F220 HydrophobicContact CB-CE2 3.79Å; D218-F220 HydrophobicContact CB-CZ 4.14Å
221I98.5Very high98.3Very high52 Ų5244.7 Ų44.727%0.26721%0.208SC..EExtended strand (participates in β ladder)trans-119.4126.8-178.8-54.2-178.8000108.7T96 V99 K100 H136 I138 I219T96-I221 HydrophobicContact CG2-CD1 4.43Å; T96-I221 HydrophobicContact CG2-CG2 3.87Å; V99-I221 HydrophobicContact CG1-CD1 4.41Å; K100-I221 HydrophobicContact CB-CD1 4.31Å; H136-I221 HydrophobicContact CB-CG2 4.42Å; I138-I221 HydrophobicContact CB-CG1 4.49Å; I138-I221 HydrophobicContact CG1-CB 4.47Å; I138-I221 HydrophobicContact CG1-CG1 4.1Å; I138-I221 HydrophobicContact CG1-CG2 3.96Å; I138-I221 HydrophobicContact CG2-CG1 4.05Å; I219-I221 HydrophobicContact CG2-CD1 4.14Å; I219-I221 HydrophobicContact CG2-CG1 3.87Å
222V98.2Very high98.3Very high22 Ų2244.2 Ų44.213%0.13321%0.205CC..EExtended strand (participates in β ladder)trans-133139.4176.6-60.20000110.5H136 I137 L149 F156 L157H136-V222 CarbonylContact C-O 3.59Å; H136-V222 VanDerWaalsContact CA-O 3.27Å; H136-V222 WeakPolarHBondContact CA-O 3.46Å; I137-V222 HydrophobicContact CB-CG2 3.92Å; I137-V222 PolarHBondContact N-O 2.88Å; I137-V222 PolarHBondContact O-N 3.49Å; L149-V222 HydrophobicContact CD2-CG2 3.73Å; F156-V222 HydrophobicContact CE1-CB 4.44Å; F156-V222 HydrophobicContact CE1-CG1 4.1Å; L157-V222 HydrophobicContact CD1-CG1 3.57Å
223E98.2Very high98.4Very high123 Ų12343.4 Ų43.458%0.57520%0.201SC*.EExtended strand (participates in β ladder)trans-65139.8169.7-72.4173.8-157.900110.5R151R151-E223 PolarHBondContact NH2-O 2.87Å
224R98.1Very high98.4Very high35 Ų3543.4 Ų43.413%0.13220%0.201CC..  trans-70.3136.6175.4-76.4-177.672.3178.83.5110.3T133 T135 I137 D229 D290T133-R224 WeakPolarHBondContact O-CD 3.38Å; T133-R224 PolarHBondContact O-NH1 3.26Å; T135-R224 PolarHBondContact O-N 3.09Å; I137-R224 HydrophobicContact CD1-CG 4.09Å; I137-R224 HydrophobicContact CG1-CG 3.77Å; R224-D229 WeakPolarHBondContact CA-OD2 3.26Å; R224-D290 IonicContact CZ-OD2 2.62Å; R224-D290 IonicContact NE-OD2 2.73Å; R224-D290 IonicContact NH2-OD1 2.65Å; R224-D290 IonicContact NH2-OD2 2.93Å; R224-D290 PolarHBondContact NH2-OD2 3.11Å
225K98Very high98.4Very high113 Ų11343.3 Ų43.349%0.49120%0.201SC..  trans-123.885.3169.5-62.8-168.3176.4-1720107.8E227 F228 D229K225-E227 PolarHBondContact O-N 3.24Å; K225-E227 VanDerWaalsContact O-N 3.09Å; K225-F228 HydrophobicContact CB-CB 4.41Å; K225-F228 HydrophobicContact CB-CD2 4.05Å; K225-F228 HydrophobicContact CD-CD2 4.36Å; K225-F228 CarbonylContact O-C 3.47Å; K225-F228 PolarHBondContact O-N 3.2Å; K225-D229 PolarHBondContact N-OD2 3.26Å; K225-D229 WeakPolarHBondContact O-CB 3.47Å; K225-D229 PolarHBondContact O-N 2.82Å
226K96.7Very high98.4Very high114 Ų11443.3 Ų43.350%0.49620%0.201SC..THydrogen-bonded Turntrans-51.7-36.6-173.2-64-172.1170.4-168.90113.7F228 D290 A291K226-F228 PolarHBondContact O-N 2.63Å; K226-D290 HydrophobicContact CB-CB 3.92Å; K226-D290 WeakPolarHBondContact CD-OD1 3.37Å; K226-D290 HydrophobicContact CG-CB 4.41Å; K226-D290 WeakPolarHBondContact O-CB 3.27Å; K226-A291 WeakPolarHBondContact O-CB 3.49Å
227E97.5Very high98.4Very high165 Ų16541.3 Ų41.377%0.77119%0.192SC*.THydrogen-bonded Turntrans-66.5-19178.4-64.4174.8-151.500113.9K225K225-E227 PolarHBondContact O-N 3.24Å; K225-E227 VanDerWaalsContact O-N 3.09Å
228F98.2Very high98.3Very high93 Ų9341.1 Ų41.141%0.40819%0.191SC..THydrogen-bonded Turntrans-125.1-19.7-172.9-56-71.8000114.2R151 D152 K225 K226 Q230R151-F228 CarbonylContact C-O 3.49Å; R151-F228 WeakPolarHBondContact CA-O 3.38Å; R151-F228 HydrophobicContact CG-CB 3.68Å; R151-F228 WeakPolarHBondContact CG-O 3.43Å; D152-F228 HydrophobicContact CB-CD1 4.47Å; D152-F228 PolarHBondContact N-O 2.82Å; K225-F228 HydrophobicContact CB-CB 4.41Å; K225-F228 HydrophobicContact CB-CD2 4.05Å; K225-F228 HydrophobicContact CD-CD2 4.36Å; K225-F228 CarbonylContact O-C 3.47Å; K225-F228 PolarHBondContact O-N 3.2Å; K226-F228 PolarHBondContact O-N 2.63Å; F228-Q230 WeakPolarHBondContact O-CG 3.22Å; F228-Q230 PolarHBondContact O-N 2.85Å
229D98.5Very high98.3Very high0 Ų038.8 Ų38.80%018%0.178CC..EExtended strand (participates in β ladder)trans-75.4114.5-178.6-81.3-26.5000110.9R151 R224 K225 L289 A291R151-D229 IonicContact CZ-OD1 3.16Å; R151-D229 IonicContact CZ-OD2 2.88Å; R151-D229 IonicContact NE-OD1 2.68Å; R151-D229 PolarHBondContact NE-OD1 3.43Å; R151-D229 VanDerWaalsContact NH2-CG 3.28Å; R151-D229 IonicContact NH2-OD1 3.95Å; R151-D229 PolarHBondContact NH2-OD1 3Å; R151-D229 IonicContact NH2-OD2 2.75Å; R151-D229 PolarHBondContact NH2-OD2 2.88Å; R224-D229 WeakPolarHBondContact CA-OD2 3.26Å; K225-D229 PolarHBondContact N-OD2 3.26Å; K225-D229 WeakPolarHBondContact O-CB 3.47Å; K225-D229 PolarHBondContact O-N 2.82Å; D229-L289 HydrophobicContact CB-CB 4.16Å; D229-L289 HydrophobicContact CB-CD1 3.86Å; D229-L289 WeakPolarHBondContact O-CB 3.46Å; D229-A291 WeakPolarHBondContact O-CA 3.45Å; D229-A291 WeakPolarHBondContact O-CB 3.21Å; D229-A291 PolarHBondContact O-N 3.32Å
230Q98.5Very high98.3Very high14 Ų1438.2 Ų38.27%0.06518%0.175CC..EExtended strand (participates in β ladder)trans-106.2-55.6-170.9-59.2177.9-85.400112.4I150 N153 F228 L253 L289 A291 A292I150-Q230 HydrophobicContact CG2-CB 4.4Å; I150-Q230 PolarHBondContact O-N 2.81Å; N153-Q230 VanDerWaalsContact CA-OE1 3.26Å; N153-Q230 PolarHBondContact OD1-NE2 2.99Å; N153-Q230 PolarHBondContact OD1-OE1 2.87Å; F228-Q230 WeakPolarHBondContact O-CG 3.22Å; F228-Q230 PolarHBondContact O-N 2.85Å; Q230-L253 HydrophobicContact CB-CD2 4.39Å; Q230-L289 PolarHBondContact O-N 2.89Å; Q230-A291 HydrophobicContact CG-CB 4.2Å; Q230-A291 WeakPolarHBondContact CG-O 3.21Å; Q230-A292 WeakPolarHBondContact O-CA 3.44Å; Q230-A292 VanDerWaalsContact O-CB 3.3Å; Q230-A292 WeakPolarHBondContact O-CB 3.23Å
231V98.6Very high98.2Very high2 Ų241.8 Ų41.81%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-145.6135.2-172.6-179.40000110I150 L233 V252 L256 L286 V287I150-V231 HydrophobicContact CB-CB 4.17Å; I150-V231 HydrophobicContact CD1-CB 4.08Å; I150-V231 HydrophobicContact CD1-CG1 4.41Å; I150-V231 HydrophobicContact CG1-CB 4.44Å; I150-V231 PolarHBondContact N-O 3.28Å; I150-V231 PolarHBondContact O-N 2.86Å; V231-L233 HydrophobicContact CG1-CB 4.48Å; V231-V252 HydrophobicContact CG1-CG1 4.37Å; V231-V252 HydrophobicContact CG2-CG1 4.48Å; V231-L256 HydrophobicContact CG2-CD1 3.53Å; V231-L286 HydrophobicContact CG1-CD2 4.05Å; V231-V287 WeakPolarHBondContact CA-O 3.35Å
232L98.8Very high98.1Very high0 Ų040.6 Ų40.60%019%0.191CC..EExtended strand (participates in β ladder)trans-105124.2162.7169.769.7000107.9A130 V132 I137 M139 L234 V287 L289A130-L232 HydrophobicContact CB-CD2 3.64Å; V132-L232 HydrophobicContact CG2-CD2 3.85Å; I137-L232 HydrophobicContact CG2-CD1 4.48Å; I137-L232 HydrophobicContact CG2-CD2 4.42Å; M139-L232 HydrophobicContact CG-CD1 4.18Å; M139-L232 HydrophobicContact SD-CD1 3.76Å; L232-L234 HydrophobicContact CD1-CD1 3.88Å; L232-L234 HydrophobicContact CD2-CD1 4.1Å; L232-L234 HydrophobicContact CG-CD1 3.64Å; L232-V287 HydrophobicContact CB-CB 4.18Å; L232-V287 HydrophobicContact CD2-CG2 4.43Å; L232-V287 PolarHBondContact N-O 2.95Å; L232-V287 PolarHBondContact O-N 2.82Å; L232-L289 HydrophobicContact CB-CD1 4.27Å
233L98.8Very high98.1Very high0 Ų039.9 Ų39.90%019%0.186CC..EExtended strand (participates in β ladder)trans-121.2125.8-177-178.6169.1000109.5A147 I148 V231 A235 W240 L248 V252 V284 L285 L286A147-L233 CarbonylContact C-O 3.58Å; A147-L233 WeakPolarHBondContact CA-O 3.45Å; I148-L233 HydrophobicContact CD1-CB 4.45Å; I148-L233 HydrophobicContact CD1-CD1 4.37Å; I148-L233 HydrophobicContact CG1-CB 3.81Å; I148-L233 HydrophobicContact CG1-CD2 4.38Å; I148-L233 HydrophobicContact CG1-CG 4.47Å; I148-L233 PolarHBondContact N-O 2.97Å; I148-L233 PolarHBondContact O-N 2.77Å; V231-L233 HydrophobicContact CG1-CB 4.48Å; L233-A235 HydrophobicContact CD2-CB 4.12Å; L233-W240 HydrophobicContact CD2-CH2 3.5Å; L233-W240 VanDerWaalsContact CD2-CH2 3.5Å; L233-W240 HydrophobicContact CD2-CZ2 3.33Å; L233-L248 HydrophobicContact CD1-CD2 3.7Å; L233-L248 HydrophobicContact CD1-CG 3.96Å; L233-L248 HydrophobicContact CD2-CD2 4.22Å; L233-V252 HydrophobicContact CD1-CG2 3.91Å; L233-V284 HydrophobicContact CD2-CG2 4.32Å; L233-V284 HydrophobicContact CG-CG2 4.29Å; L233-L285 CarbonylContact C-O 3.52Å; L233-L285 VanDerWaalsContact CA-O 3.28Å; L233-L285 WeakPolarHBondContact CA-O 3.43Å; L233-L286 HydrophobicContact CB-CD2 3.79Å; L233-L286 HydrophobicContact CD1-CD2 3.53Å; L233-L286 HydrophobicContact CG-CD2 3.5Å
234L98.9Very high98.1Very high0 Ų041 Ų410%019%0.191CC..EExtended strand (participates in β ladder)trans-118135.6172.9-70.566.1000108.6F56 V58 V128 A130 A147 L232 L285F56-L234 HydrophobicContact CB-CD2 4.32Å; V58-L234 HydrophobicContact CG2-CB 3.9Å; V128-L234 HydrophobicContact CG1-CB 4.19Å; V128-L234 HydrophobicContact CG1-CD2 4.35Å; V128-L234 HydrophobicContact CG1-CG 4.4Å; A130-L234 HydrophobicContact CB-CD1 4.25Å; A130-L234 HydrophobicContact CB-CD2 4.28Å; A147-L234 HydrophobicContact CB-CD1 4.2Å; A147-L234 HydrophobicContact CB-CG 3.86Å; L232-L234 HydrophobicContact CD1-CD1 3.88Å; L232-L234 HydrophobicContact CD2-CD1 4.1Å; L232-L234 HydrophobicContact CG-CD1 3.64Å; L234-L285 HydrophobicContact CB-CB 4.17Å; L234-L285 PolarHBondContact N-O 2.91Å; L234-L285 PolarHBondContact O-N 2.89Å
235A98.8Very high98.1Very high0 Ų041.2 Ų41.20%020%0.195CC..EExtended strand (participates in β ladder)trans-153.2158.4174.700000112.3R146 L233 I239 W240 S283 V284R146-A235 PolarHBondContact N-O 3.41Å; R146-A235 PolarHBondContact O-N 3.41Å; L233-A235 HydrophobicContact CD2-CB 4.12Å; A235-I239 HydrophobicContact CB-CB 3.87Å; A235-I239 HydrophobicContact CB-CG1 3.77Å; A235-I239 HydrophobicContact CB-CG2 4.27Å; A235-W240 HydrophobicContact CB-CZ2 4.11Å; A235-W240 PolarHBondContact O-NE1 2.97Å; A235-S283 WeakPolarHBondContact CA-O 3.14Å; A235-S283 VanDerWaalsContact CB-O 3.29Å; A235-S283 WeakPolarHBondContact CB-O 3.36Å; A235-V284 HydrophobicContact CB-CB 4.26Å; A235-V284 HydrophobicContact CB-CG2 4.19Å
236C98.6Very high98Very high0 Ų040.7 Ų40.70%020%0.197CC..  trans-76.3171.1169.864.50000112D38 V58 D60 S145 G238 I239 S283D38-C236 PolarHBondContact OD2-SG 3.26Å; V58-C236 HydrophobicContact CG1-CB 4.27Å; D60-C236 HydrophobicContact CB-CB 3.95Å; D60-C236 WeakPolarHBondContact OD2-CB 3.49Å; S145-C236 WeakPolarHBondContact OG-CA 3.46Å; C236-G238 PolarHBondContact O-N 2.89Å; C236-I239 PolarHBondContact O-N 2.79Å; C236-I239 VanDerWaalsContact O-N 3.11Å; C236-S283 PolarHBondContact N-O 2.84Å; C236-S283 PolarHBondContact SG-N 2.97Å
237D98Very high98.1Very high21 Ų2137.6 Ų37.611%0.11219%0.188CC..Hα-helixtrans-65.7-22.9-176.978-10.6000112.8I239 W240 D241D237-I239 CarbonylContact O-C 3.58Å; D237-I239 PolarHBondContact O-N 2.78Å; D237-W240 PolarHBondContact O-N 3Å; D237-D241 VanDerWaalsContact O-CB 3.28Å; D237-D241 WeakPolarHBondContact O-CB 3.35Å; D237-D241 PolarHBondContact O-N 3.4Å
238G97.8Very high98.1Very high0 Ų029.8 Ų29.80%015%0.151CC..Hα-helixtrans-54.2-20.7170.800000114.3C236 S278C236-G238 PolarHBondContact O-N 2.89Å; G238-S278 VanDerWaalsContact O-CB 3.27Å; G238-S278 WeakPolarHBondContact O-CB 3.45Å; G238-S278 PolarHBondContact O-OG 3.42Å
239I98.6Very high98.1Very high0 Ų025.4 Ų25.40%013%0.133CC..Hα-helixtrans-92.3-49168.2-55.4-54.3000111.6A235 C236 D237 D241 V242 F243 L248 I269 L270 S273 M282 V284A235-I239 HydrophobicContact CB-CB 3.87Å; A235-I239 HydrophobicContact CB-CG1 3.77Å; A235-I239 HydrophobicContact CB-CG2 4.27Å; C236-I239 PolarHBondContact O-N 2.79Å; C236-I239 VanDerWaalsContact O-N 3.11Å; D237-I239 CarbonylContact O-C 3.58Å; D237-I239 PolarHBondContact O-N 2.78Å; I239-D241 VanDerWaalsContact C-N 3.3Å; I239-D241 PolarHBondContact O-N 2.82Å; I239-V242 VanDerWaalsContact O-CG2 3.3Å; I239-V242 WeakPolarHBondContact O-CG2 3.27Å; I239-V242 PolarHBondContact O-N 3.48Å; I239-F243 HydrophobicContact CG2-CD2 4.05Å; I239-F243 PolarHBondContact O-N 3.47Å; I239-F243 VanDerWaalsContact O-N 3.08Å; I239-L248 HydrophobicContact CG2-CD2 3.92Å; I239-I269 HydrophobicContact CD1-CG2 4.2Å; I239-I269 HydrophobicContact CG2-CG2 4.06Å; I239-L270 HydrophobicContact CD1-CD2 4.06Å; I239-S273 VanDerWaalsContact CD1-OG 3.32Å; I239-S273 WeakPolarHBondContact CD1-OG 3.29Å; I239-M282 HydrophobicContact CD1-CB 3.87Å; I239-M282 HydrophobicContact CD1-CG 3.88Å; I239-M282 HydrophobicContact CD1-SD 4.21Å; I239-V284 HydrophobicContact CG1-CB 4.45Å
240W98.3Very high98.1Very high13 Ų1329 Ų295%0.04915%0.154CC..Hα-helixtrans-71.4-21.3-171.9-57.7116.5000114.3R146 I148 L233 A235 D237 V242 F243 L248R146-W240 HydrophobicContact CB-CD2 4.17Å; R146-W240 HydrophobicContact CB-CG 4.13Å; R146-W240 HydrophobicContact CB-CZ2 4.24Å; R146-W240 WeakPolarHBondContact O-CZ2 3.2Å; R146-W240 PolarHBondContact O-NE1 3.09Å; I148-W240 HydrophobicContact CD1-CH2 3.92Å; I148-W240 HydrophobicContact CD1-CZ3 4.47Å; I148-W240 HydrophobicContact CG1-CH2 4Å; I148-W240 HydrophobicContact CG2-CH2 3.77Å; I148-W240 HydrophobicContact CG2-CZ2 4.37Å; I148-W240 HydrophobicContact CG2-CZ3 4.37Å; L233-W240 HydrophobicContact CD2-CH2 3.5Å; L233-W240 VanDerWaalsContact CD2-CH2 3.5Å; L233-W240 HydrophobicContact CD2-CZ2 3.33Å; A235-W240 HydrophobicContact CB-CZ2 4.11Å; A235-W240 PolarHBondContact O-NE1 2.97Å; D237-W240 PolarHBondContact O-N 3Å; W240-V242 PolarHBondContact O-N 2.8Å; W240-F243 VanDerWaalsContact O-O 3.07Å; W240-L248 HydrophobicContact CE3-CD2 4.23Å; W240-L248 HydrophobicContact CH2-CD2 3.69Å; W240-L248 HydrophobicContact CZ2-CD2 4.49Å; W240-L248 HydrophobicContact CZ3-CB 4.43Å; W240-L248 HydrophobicContact CZ3-CD2 3.52Å
241D96.8Very high98.1Very high110 Ų11028.3 Ų28.359%0.58815%0.151SC*.THydrogen-bonded Turntrans-65.7-23173.5-884000112.5D237 I239D237-D241 VanDerWaalsContact O-CB 3.28Å; D237-D241 WeakPolarHBondContact O-CB 3.35Å; D237-D241 PolarHBondContact O-N 3.4Å; I239-D241 VanDerWaalsContact C-N 3.3Å; I239-D241 PolarHBondContact O-N 2.82Å
242V97.2Very high98Very high28 Ų2828.2 Ų28.217%0.1715%0.151CC..THydrogen-bonded Turntrans-120.1-2.2-178.7-62.90000113.6I239 W240 K276I239-V242 VanDerWaalsContact O-CG2 3.3Å; I239-V242 WeakPolarHBondContact O-CG2 3.27Å; I239-V242 PolarHBondContact O-N 3.48Å; W240-V242 PolarHBondContact O-N 2.8Å; V242-K276 HydrophobicContact CB-CB 3.88Å; V242-K276 HydrophobicContact CG1-CB 4.25Å; V242-K276 HydrophobicContact CG2-CB 4.31Å; V242-K276 WeakPolarHBondContact O-CE 3.37Å; V242-K276 PolarHBondContact O-NZ 2.87Å
243F97.5Very high98Very high6 Ų629 Ų293%0.02616%0.155CC..  trans-130.9124.5177.1-81.5-75.3000112.2I239 W240 T247 L248 Y251 T272 S273 K276I239-F243 HydrophobicContact CG2-CD2 4.05Å; I239-F243 PolarHBondContact O-N 3.47Å; I239-F243 VanDerWaalsContact O-N 3.08Å; W240-F243 VanDerWaalsContact O-O 3.07Å; F243-T247 HydrophobicContact CD1-CG2 4.21Å; F243-L248 HydrophobicContact CB-CB 4.11Å; F243-L248 HydrophobicContact CB-CD2 4.37Å; F243-L248 HydrophobicContact CD1-CB 4.12Å; F243-L248 HydrophobicContact CD1-CD1 4.01Å; F243-L248 HydrophobicContact CD2-CD1 4.31Å; F243-L248 HydrophobicContact CE1-CD1 4.14Å; F243-L248 HydrophobicContact CE2-CD1 4.41Å; F243-L248 HydrophobicContact CG-CB 4.29Å; F243-L248 HydrophobicContact CG-CD1 4.1Å; F243-L248 HydrophobicContact CZ-CD1 4.32Å; F243-Y251 HydrophobicContact CE1-CD1 4.31Å; F243-Y251 HydrophobicContact CZ-CD1 4.27Å; F243-Y251 HydrophobicContact CZ-CE1 4.44Å; F243-T272 HydrophobicContact CE2-CG2 4.24Å; F243-T272 HydrophobicContact CZ-CG2 3.58Å; F243-S273 WeakPolarHBondContact CD2-OG 3.29Å; F243-S273 VanDerWaalsContact CE2-OG 3.28Å; F243-S273 WeakPolarHBondContact CE2-OG 3.48Å; F243-K276 HydrophobicContact CE1-CD 4.24Å; F243-K276 HydrophobicContact CE2-CD 4.24Å; F243-K276 HydrophobicContact CZ-CD 3.97Å
244E97.3Very high97.9Very high146 Ų14631.9 Ų31.968%0.68217%0.168SC*.  trans-74.2150.1161.5-63.518017800110.6D246 T247 L248E244-D246 PolarHBondContact O-N 2.94Å; E244-T247 PolarHBondContact O-N 3.44Å; E244-L248 PolarHBondContact O-N 2.85Å
245N98.1Very high97.9Very high40 Ų4031.9 Ų31.921%0.21417%0.168CC..Hα-helixtrans-51.9-53.4-176.2-63.4-17.9000112.6R146 T155 A158 T247 L248 T249R146-N245 WeakPolarHBondContact CD-OD1 3.15Å; R146-N245 PolarHBondContact NH1-OD1 3.28Å; T155-N245 HydrophobicContact CG2-CB 3.99Å; A158-N245 WeakPolarHBondContact CB-ND2 3.47Å; N245-T247 VanDerWaalsContact C-N 3.33Å; N245-T247 PolarHBondContact O-N 3.18Å; N245-L248 PolarHBondContact O-N 3.09Å; N245-T249 WeakPolarHBondContact O-CB 3.37Å; N245-T249 PolarHBondContact O-N 3.32Å; N245-T249 PolarHBondContact O-OG1 2.94Å; N245-T249 VanDerWaalsContact O-OG1 3.09Å
246D97.8Very high97.8Very high102 Ų10232.3 Ų32.355%0.54517%0.17SC..Hα-helixtrans-70.8-30.8-175.9-67.9-24000112.9T155 E244 T250T155-D246 WeakPolarHBondContact CB-OD1 3.4Å; T155-D246 PolarHBondContact OG1-OD1 2.8Å; E244-D246 PolarHBondContact O-N 2.94Å; D246-T250 WeakPolarHBondContact O-CB 3.23Å; D246-T250 PolarHBondContact O-N 2.98Å; D246-T250 PolarHBondContact O-OG1 3.36Å
247T97.3Very high97.7Very high50 Ų5034 Ų3431%0.30718%0.181SC..Hα-helixtrans-65.5-46.4173.4-63.70000110.3F243 E244 N245 T250 Y251F243-T247 HydrophobicContact CD1-CG2 4.21Å; E244-T247 PolarHBondContact O-N 3.44Å; N245-T247 VanDerWaalsContact C-N 3.33Å; N245-T247 PolarHBondContact O-N 3.18Å; T247-T250 PolarHBondContact O-N 3.27Å; T247-Y251 WeakPolarHBondContact O-CB 3.19Å; T247-Y251 PolarHBondContact O-N 3Å
248L98Very high97.6Very high0 Ų033.3 Ų33.30%018%0.179CC..Hα-helixtrans-67.8-39.5177.8-171.556.9000111.9L233 I239 W240 F243 E244 N245 T250 Y251 V252 I269L233-L248 HydrophobicContact CD1-CD2 3.7Å; L233-L248 HydrophobicContact CD1-CG 3.96Å; L233-L248 HydrophobicContact CD2-CD2 4.22Å; I239-L248 HydrophobicContact CG2-CD2 3.92Å; W240-L248 HydrophobicContact CE3-CD2 4.23Å; W240-L248 HydrophobicContact CH2-CD2 3.69Å; W240-L248 HydrophobicContact CZ2-CD2 4.49Å; W240-L248 HydrophobicContact CZ3-CB 4.43Å; W240-L248 HydrophobicContact CZ3-CD2 3.52Å; F243-L248 HydrophobicContact CB-CB 4.11Å; F243-L248 HydrophobicContact CB-CD2 4.37Å; F243-L248 HydrophobicContact CD1-CB 4.12Å; F243-L248 HydrophobicContact CD1-CD1 4.01Å; F243-L248 HydrophobicContact CD2-CD1 4.31Å; F243-L248 HydrophobicContact CE1-CD1 4.14Å; F243-L248 HydrophobicContact CE2-CD1 4.41Å; F243-L248 HydrophobicContact CG-CB 4.29Å; F243-L248 HydrophobicContact CG-CD1 4.1Å; F243-L248 HydrophobicContact CZ-CD1 4.32Å; E244-L248 PolarHBondContact O-N 2.85Å; N245-L248 PolarHBondContact O-N 3.09Å; L248-T250 PolarHBondContact O-N 3Å; L248-Y251 HydrophobicContact CD1-CD1 4.12Å; L248-Y251 PolarHBondContact O-N 3.28Å; L248-V252 HydrophobicContact CD1-CG2 4.02Å; L248-V252 HydrophobicContact CG-CG2 4.15Å; L248-V252 WeakPolarHBondContact O-CB 3.49Å; L248-V252 VanDerWaalsContact O-CG2 3.23Å; L248-V252 WeakPolarHBondContact O-CG2 3.36Å; L248-V252 PolarHBondContact O-N 3.34Å; L248-I269 HydrophobicContact CD1-CD1 4.33Å; L248-I269 HydrophobicContact CD1-CG1 4.19Å; L248-I269 HydrophobicContact CD1-CG2 4.2Å
249T98.4Very high97.4Very high2 Ų234.7 Ų34.71%0.01219%0.185CC..Hα-helixtrans-55.4-51.8173.6-71.10000111.4I148 I150 T155 N245 Y251 V252 L253I148-T249 WeakPolarHBondContact CD1-OG1 3.4Å; I150-T249 HydrophobicContact CB-CG2 4.49Å; I150-T249 HydrophobicContact CD1-CG2 3.91Å; I150-T249 HydrophobicContact CG1-CG2 3.95Å; I150-T249 HydrophobicContact CG2-CG2 3.79Å; T155-T249 PolarHBondContact OG1-OG1 2.89Å; N245-T249 WeakPolarHBondContact O-CB 3.37Å; N245-T249 PolarHBondContact O-N 3.32Å; N245-T249 PolarHBondContact O-OG1 2.94Å; N245-T249 VanDerWaalsContact O-OG1 3.09Å; T249-Y251 VanDerWaalsContact C-N 3.31Å; T249-Y251 PolarHBondContact O-N 3.05Å; T249-V252 PolarHBondContact O-N 2.93Å; T249-L253 HydrophobicContact CG2-CD1 3.96Å; T249-L253 WeakPolarHBondContact O-CB 3.39Å; T249-L253 VanDerWaalsContact O-CG 3.31Å; T249-L253 WeakPolarHBondContact O-CG 3.35Å; T249-L253 PolarHBondContact O-N 2.95Å
250T97.9Very high97Very high74 Ų7439.4 Ų39.445%0.45422%0.216SC..Hα-helixtrans-62.7-41.3180-53.20000111.1D246 T247 L248 H254 P347D246-T250 WeakPolarHBondContact O-CB 3.23Å; D246-T250 PolarHBondContact O-N 2.98Å; D246-T250 PolarHBondContact O-OG1 3.36Å; T247-T250 PolarHBondContact O-N 3.27Å; L248-T250 PolarHBondContact O-N 3Å; T250-H254 WeakPolarHBondContact O-CB 3.35Å; T250-H254 PolarHBondContact O-N 2.83Å; T250-H254 VanDerWaalsContact O-N 3.11Å; T250-P347 HydrophobicContact CG2-CB 3.87Å; T250-P347 HydrophobicContact CG2-CG 3.81Å
251Y97.9Very high96.8Very high1 Ų140.6 Ų40.60%0.00423%0.226CC..Hα-helixtrans-62.1-52.3177-178.2-128000111.8F243 T247 L248 T249 L253 H254 R255 I269 T272 P346 P347 T352F243-Y251 HydrophobicContact CE1-CD1 4.31Å; F243-Y251 HydrophobicContact CZ-CD1 4.27Å; F243-Y251 HydrophobicContact CZ-CE1 4.44Å; T247-Y251 WeakPolarHBondContact O-CB 3.19Å; T247-Y251 PolarHBondContact O-N 3Å; L248-Y251 HydrophobicContact CD1-CD1 4.12Å; L248-Y251 PolarHBondContact O-N 3.28Å; T249-Y251 VanDerWaalsContact C-N 3.31Å; T249-Y251 PolarHBondContact O-N 3.05Å; Y251-L253 PolarHBondContact O-N 2.86Å; Y251-H254 WeakPolarHBondContact O-CB 3.35Å; Y251-H254 PolarHBondContact O-N 3.25Å; Y251-R255 HydrophobicContact CD2-CG 3.92Å; Y251-R255 HydrophobicContact CE1-CG 4.35Å; Y251-R255 HydrophobicContact CE2-CG 3.59Å; Y251-R255 HydrophobicContact CG-CG 4.43Å; Y251-R255 WeakPolarHBondContact O-CG 3.48Å; Y251-R255 PolarHBondContact O-N 3.26Å; Y251-I269 HydrophobicContact CD1-CG1 4.27Å; Y251-I269 HydrophobicContact CE1-CG1 3.99Å; Y251-T272 PolarHBondContact OH-OG1 2.86Å; Y251-P346 HydrophobicContact CD2-CB 4.04Å; Y251-P346 HydrophobicContact CE2-CB 3.72Å; Y251-P347 VanDerWaalsContact CD2-O 3.24Å; Y251-P347 WeakPolarHBondContact CD2-O 3.26Å; Y251-T352 HydrophobicContact CD2-CG2 3.99Å; Y251-T352 HydrophobicContact CE2-CG2 3.43Å; Y251-T352 VanDerWaalsContact CE2-CG2 3.43Å
252V98.1Very high96.8Very high0 Ų035.9 Ų35.90%020%0.201CC..Hα-helixtrans-58.7-48.3-179.7169.60000111.5I150 V231 L233 L248 T249 H254 R255 L256 I269 L286I150-V252 HydrophobicContact CD1-CG1 4.43Å; V231-V252 HydrophobicContact CG1-CG1 4.37Å; V231-V252 HydrophobicContact CG2-CG1 4.48Å; L233-V252 HydrophobicContact CD1-CG2 3.91Å; L248-V252 HydrophobicContact CD1-CG2 4.02Å; L248-V252 HydrophobicContact CG-CG2 4.15Å; L248-V252 WeakPolarHBondContact O-CB 3.49Å; L248-V252 VanDerWaalsContact O-CG2 3.23Å; L248-V252 WeakPolarHBondContact O-CG2 3.36Å; L248-V252 PolarHBondContact O-N 3.34Å; T249-V252 PolarHBondContact O-N 2.93Å; V252-H254 VanDerWaalsContact C-N 3.32Å; V252-H254 PolarHBondContact O-N 3.27Å; V252-R255 PolarHBondContact O-N 3.26Å; V252-L256 HydrophobicContact CG1-CD1 3.85Å; V252-L256 HydrophobicContact CG1-CG 4.34Å; V252-L256 VanDerWaalsContact O-CG 3.29Å; V252-L256 WeakPolarHBondContact O-CG 3.38Å; V252-L256 PolarHBondContact O-N 3.2Å; V252-I269 HydrophobicContact CG2-CD1 3.79Å; V252-L286 HydrophobicContact CG1-CD1 4.48Å; V252-L286 HydrophobicContact CG1-CD2 4.29Å; V252-L286 HydrophobicContact CG2-CD2 4.49Å
253L97.9Very high96.8Very high17 Ų1735 Ų359%0.08920%0.197CC..Hα-helixtrans-61.2-41.2179-68.9173.6000111.8I150 N153 Q230 T249 Y251 C257 P293I150-L253 HydrophobicContact CG2-CD1 3.89Å; I150-L253 HydrophobicContact CG2-CD2 3.98Å; I150-L253 HydrophobicContact CG2-CG 4.15Å; N153-L253 HydrophobicContact CB-CD1 4.07Å; Q230-L253 HydrophobicContact CB-CD2 4.39Å; T249-L253 HydrophobicContact CG2-CD1 3.96Å; T249-L253 WeakPolarHBondContact O-CB 3.39Å; T249-L253 VanDerWaalsContact O-CG 3.31Å; T249-L253 WeakPolarHBondContact O-CG 3.35Å; T249-L253 PolarHBondContact O-N 2.95Å; Y251-L253 PolarHBondContact O-N 2.86Å; L253-C257 PolarHBondContact O-N 2.72Å; L253-C257 PolarHBondContact O-SG 3.32Å; L253-P293 HydrophobicContact CD2-CG 3.56Å
254H97.5Very high96.8Very high59 Ų5938.5 Ų38.527%0.27322%0.216SC..Hα-helixtrans-62.3-47.2173.9178.8-75000111.5T250 Y251 V252 L256 C257 C258 P347T250-H254 WeakPolarHBondContact O-CB 3.35Å; T250-H254 PolarHBondContact O-N 2.83Å; T250-H254 VanDerWaalsContact O-N 3.11Å; Y251-H254 WeakPolarHBondContact O-CB 3.35Å; Y251-H254 PolarHBondContact O-N 3.25Å; V252-H254 VanDerWaalsContact C-N 3.32Å; V252-H254 PolarHBondContact O-N 3.27Å; H254-L256 VanDerWaalsContact C-N 3.35Å; H254-L256 PolarHBondContact O-N 2.94Å; H254-C257 WeakPolarHBondContact O-CB 3.49Å; H254-C257 PolarHBondContact O-N 2.77Å; H254-C257 VanDerWaalsContact O-N 3.13Å; H254-C258 PolarHBondContact CE1-SG 2.84Å; H254-C258 PolarHBondContact O-N 3.49Å; H254-C258 PolarHBondContact O-SG 3.4Å; H254-P347 HydrophobicContact CB-CG 3.9Å; H254-P347 VanDerWaalsContact CG-CD 3.42Å
255R97.6Very high96.8Very high1 Ų131.5 Ų31.50%0.00418%0.183CC..Hα-helixtrans-64.9-36.2-178.7-63.9-43.1-63.2171.2-12.5112.7Y251 V252 C257 C258 L259 V265 E268 E303Y251-R255 HydrophobicContact CD2-CG 3.92Å; Y251-R255 HydrophobicContact CE1-CG 4.35Å; Y251-R255 HydrophobicContact CE2-CG 3.59Å; Y251-R255 HydrophobicContact CG-CG 4.43Å; Y251-R255 WeakPolarHBondContact O-CG 3.48Å; Y251-R255 PolarHBondContact O-N 3.26Å; V252-R255 PolarHBondContact O-N 3.26Å; R255-C257 PolarHBondContact O-N 2.75Å; R255-C258 PolarHBondContact O-N 2.92Å; R255-L259 WeakPolarHBondContact O-CB 3.4Å; R255-L259 PolarHBondContact O-N 3.33Å; R255-V265 HydrophobicContact CB-CB 4.48Å; R255-V265 HydrophobicContact CB-CG1 3.88Å; R255-V265 HydrophobicContact CB-CG2 3.95Å; R255-E268 IonicContact CZ-OE1 2.65Å; R255-E268 IonicContact CZ-OE2 3.33Å; R255-E268 IonicContact NE-OE1 2.73Å; R255-E268 IonicContact NE-OE2 2.75Å; R255-E268 PolarHBondContact NE-OE2 3.11Å; R255-E268 VanDerWaalsContact NH2-CD 3.3Å; R255-E268 IonicContact NH2-OE1 3.91Å; R255-E268 PolarHBondContact NH2-OE1 2.95Å; R255-E268 IonicContact NH2-OE2 3.66Å; R255-E268 PolarHBondContact NH2-OE2 3.37Å; R255-E303 IonicContact CZ-OE1 3.18Å; R255-E303 VanDerWaalsContact CZ-OE1 3.23Å; R255-E303 IonicContact CZ-OE2 2.69Å; R255-E303 IonicContact NH1-OE1 3.37Å; R255-E303 PolarHBondContact NH1-OE1 3.44Å; R255-E303 IonicContact NH1-OE2 2.76Å; R255-E303 PolarHBondContact NH1-OE2 2.81Å; R255-E303 IonicContact NH2-OE1 3.23Å; R255-E303 PolarHBondContact NH2-OE1 3.08Å
256L97.3Very high96.8Very high9 Ų929.6 Ų29.65%0.04717%0.173CC..Hα-helixtrans-63.9-25.6174.1-69.2171.2000113.4V231 V252 H254 L262 V265 P293V231-L256 HydrophobicContact CG2-CD1 3.53Å; V252-L256 HydrophobicContact CG1-CD1 3.85Å; V252-L256 HydrophobicContact CG1-CG 4.34Å; V252-L256 VanDerWaalsContact O-CG 3.29Å; V252-L256 WeakPolarHBondContact O-CG 3.38Å; V252-L256 PolarHBondContact O-N 3.2Å; H254-L256 VanDerWaalsContact C-N 3.35Å; H254-L256 PolarHBondContact O-N 2.94Å; L256-L262 HydrophobicContact CD2-CD2 3.33Å; L256-V265 HydrophobicContact CD2-CG2 3.99Å; L256-V265 HydrophobicContact CG-CG2 4.48Å; L256-P293 HydrophobicContact CB-CB 4.04Å; L256-P293 HydrophobicContact CB-CG 4.29Å; L256-P293 HydrophobicContact CD1-CG 4.42Å
257C97.2Very high96.8Very high34 Ų3425.9 Ų25.923%0.2316%0.155CC..Hα-helixtrans-78.4-22.9171.8-67.80000113L253 H254 R255 V295 N296 A299L253-C257 PolarHBondContact O-N 2.72Å; L253-C257 PolarHBondContact O-SG 3.32Å; H254-C257 WeakPolarHBondContact O-CB 3.49Å; H254-C257 PolarHBondContact O-N 2.77Å; H254-C257 VanDerWaalsContact O-N 3.13Å; R255-C257 PolarHBondContact O-N 2.75Å; C257-V295 CarbonylContact O-C 3.48Å; C257-V295 WeakPolarHBondContact O-CA 3.35Å; C257-N296 HydrophobicContact CB-CB 4.28Å; C257-N296 PolarHBondContact O-N 3.15Å; C257-A299 HydrophobicContact CB-CB 4.09Å
258C95.6Very high96.8Very high8 Ų825.4 Ų25.45%0.05415%0.149CC..Hα-helixtrans-97-33.8-177.9-62.90000112.9H254 R255H254-C258 PolarHBondContact CE1-SG 2.84Å; H254-C258 PolarHBondContact O-N 3.49Å; H254-C258 PolarHBondContact O-SG 3.4Å; R255-C258 PolarHBondContact O-N 2.92Å
259L93.7Very high96.8Very high28 Ų2825.4 Ų25.415%0.14715%0.149CC..  trans-115.7134.4-170.9-57.7179.8000110.8R255 S261 D264 V265 E268R255-L259 WeakPolarHBondContact O-CB 3.4Å; R255-L259 PolarHBondContact O-N 3.33Å; L259-S261 VanDerWaalsContact C-N 3.3Å; L259-S261 PolarHBondContact O-N 2.61Å; L259-D264 HydrophobicContact CD1-CB 3.94Å; L259-V265 HydrophobicContact CB-CG2 4.17Å; L259-V265 HydrophobicContact CD1-CG2 4.08Å; L259-E268 WeakPolarHBondContact CD1-OE2 3.23Å
260P88.9Confident96.8Very high99 Ų9925.3 Ų25.364%0.64315%0.149SC*.SBendtrans-74.2-21.7178.730-34.9000113.4V295P260-V295 HydrophobicContact CB-CG2 4.14Å
261S94.8Very high96.8Very high38 Ų3823 Ų2327%0.26613%0.134SC..  trans-108126-168.21750000111.7L259 A263 D264 V265L259-S261 VanDerWaalsContact C-N 3.3Å; L259-S261 PolarHBondContact O-N 2.61Å; S261-A263 PolarHBondContact O-N 3.26Å; S261-A263 PolarHBondContact OG-N 2.76Å; S261-D264 VanDerWaalsContact CB-OD2 3.25Å; S261-D264 WeakPolarHBondContact CB-OD2 3.33Å; S261-D264 PolarHBondContact O-N 2.81Å; S261-D264 PolarHBondContact OG-N 2.71Å; S261-V265 PolarHBondContact O-N 3.28Å
262L97.3Very high96.7Very high12 Ų1223.1 Ų23.16%0.06313%0.134CC..Hα-helixtrans-61-32.3171-65.4-179.4000111.8R23 A25 L256 D264 V265 C266 A288R23-L262 HydrophobicContact CB-CD1 3.87Å; R23-L262 WeakPolarHBondContact O-CD1 3.42Å; A25-L262 HydrophobicContact CB-CB 3.47Å; A25-L262 VanDerWaalsContact CB-CB 3.47Å; L256-L262 HydrophobicContact CD2-CD2 3.33Å; L262-D264 VanDerWaalsContact C-N 3.35Å; L262-V265 PolarHBondContact O-N 2.75Å; L262-C266 PolarHBondContact O-N 3.35Å; L262-C266 PolarHBondContact O-SG 2.75Å; L262-A288 HydrophobicContact CD1-CB 3.9Å; L262-A288 HydrophobicContact CD2-CB 4.22Å
263A97.7Very high96.7Very high10 Ų1023.1 Ų23.18%0.08313%0.134CC..Hα-helixtrans-67.8-35.5178.800000112.4V14 V16 A25 S261 C266 S267V14-A263 HydrophobicContact CG1-CB 3.63Å; V16-A263 HydrophobicContact CG1-CB 3.8Å; A25-A263 HydrophobicContact CB-CB 4.18Å; S261-A263 PolarHBondContact O-N 3.26Å; S261-A263 PolarHBondContact OG-N 2.76Å; A263-C266 PolarHBondContact O-N 3.37Å; A263-S267 WeakPolarHBondContact O-CB 3.42Å; A263-S267 PolarHBondContact O-N 2.83Å; A263-S267 PolarHBondContact O-OG 2.84Å
264D96.7Very high96.7Very high78 Ų7823.1 Ų23.142%0.41713%0.134SC..Hα-helixtrans-68.9-42176.8-61.3-12.8000109.5L259 S261 L262 C266 S267 E268L259-D264 HydrophobicContact CD1-CB 3.94Å; S261-D264 VanDerWaalsContact CB-OD2 3.25Å; S261-D264 WeakPolarHBondContact CB-OD2 3.33Å; S261-D264 PolarHBondContact O-N 2.81Å; S261-D264 PolarHBondContact OG-N 2.71Å; L262-D264 VanDerWaalsContact C-N 3.35Å; D264-C266 PolarHBondContact O-N 3.36Å; D264-S267 PolarHBondContact O-N 3.33Å; D264-E268 WeakPolarHBondContact O-CG 3.4Å; D264-E268 PolarHBondContact O-N 2.79Å
265V97.8Very high96.5Very high0 Ų022 Ų220%013%0.129CC..Hα-helixtrans-59.8-46.7173.4-1770000111.2R255 L256 L259 S261 L262 S267 E268 I269 L286R255-V265 HydrophobicContact CB-CB 4.48Å; R255-V265 HydrophobicContact CB-CG1 3.88Å; R255-V265 HydrophobicContact CB-CG2 3.95Å; L256-V265 HydrophobicContact CD2-CG2 3.99Å; L256-V265 HydrophobicContact CG-CG2 4.48Å; L259-V265 HydrophobicContact CB-CG2 4.17Å; L259-V265 HydrophobicContact CD1-CG2 4.08Å; S261-V265 PolarHBondContact O-N 3.28Å; L262-V265 PolarHBondContact O-N 2.75Å; V265-S267 VanDerWaalsContact C-N 3.33Å; V265-S267 PolarHBondContact O-N 3.02Å; V265-E268 PolarHBondContact O-N 2.91Å; V265-I269 HydrophobicContact CG1-CD1 4.17Å; V265-I269 VanDerWaalsContact O-CG1 3.29Å; V265-I269 WeakPolarHBondContact O-CG1 3.16Å; V265-I269 PolarHBondContact O-N 3.04Å; V265-L286 HydrophobicContact CB-CD1 3.98Å; V265-L286 HydrophobicContact CG1-CD1 3.59Å
266C98.3Very high96.4Very high0 Ų025.4 Ų25.40%014%0.144CC..Hα-helixtrans-59.2-45.1176.1-66.70000111.5L262 A263 D264 E268 I269 L270 V284 L286L262-C266 PolarHBondContact O-N 3.35Å; L262-C266 PolarHBondContact O-SG 2.75Å; A263-C266 PolarHBondContact O-N 3.37Å; D264-C266 PolarHBondContact O-N 3.36Å; C266-E268 VanDerWaalsContact C-N 3.35Å; C266-E268 PolarHBondContact O-N 2.85Å; C266-I269 WeakPolarHBondContact O-CB 3.4Å; C266-I269 PolarHBondContact O-N 3.16Å; C266-L270 WeakPolarHBondContact O-CG 3.41Å; C266-L270 PolarHBondContact O-N 2.83Å; C266-L270 VanDerWaalsContact O-N 3.08Å; C266-V284 HydrophobicContact CB-CG1 3.88Å; C266-L286 VanDerWaalsContact SG-CG 3.58Å
267S97.2Very high96.3Very high23 Ų2327.3 Ų27.316%0.16117%0.166CC..Hα-helixtrans-62.7-41.3-179.7-62.30000112.1K12 A263 D264 V265 I269 L270 D271K12-S267 WeakPolarHBondContact CE-O 3.37Å; A263-S267 WeakPolarHBondContact O-CB 3.42Å; A263-S267 PolarHBondContact O-N 2.83Å; A263-S267 PolarHBondContact O-OG 2.84Å; D264-S267 PolarHBondContact O-N 3.33Å; V265-S267 VanDerWaalsContact C-N 3.33Å; V265-S267 PolarHBondContact O-N 3.02Å; S267-I269 VanDerWaalsContact C-N 3.35Å; S267-L270 PolarHBondContact O-N 2.78Å; S267-D271 PolarHBondContact O-N 2.92Å
268E97Very high96.3Very high41 Ų4126 Ų2619%0.19216%0.157CC..Hα-helixtrans-67.5-33.1175.2-75.7-173.2168.400113R255 L259 D264 V265 C266 T272R255-E268 IonicContact CZ-OE1 2.65Å; R255-E268 IonicContact CZ-OE2 3.33Å; R255-E268 IonicContact NE-OE1 2.73Å; R255-E268 IonicContact NE-OE2 2.75Å; R255-E268 PolarHBondContact NE-OE2 3.11Å; R255-E268 VanDerWaalsContact NH2-CD 3.3Å; R255-E268 IonicContact NH2-OE1 3.91Å; R255-E268 PolarHBondContact NH2-OE1 2.95Å; R255-E268 IonicContact NH2-OE2 3.66Å; R255-E268 PolarHBondContact NH2-OE2 3.37Å; L259-E268 WeakPolarHBondContact CD1-OE2 3.23Å; D264-E268 WeakPolarHBondContact O-CG 3.4Å; D264-E268 PolarHBondContact O-N 2.79Å; V265-E268 PolarHBondContact O-N 2.91Å; C266-E268 VanDerWaalsContact C-N 3.35Å; C266-E268 PolarHBondContact O-N 2.85Å; E268-T272 WeakPolarHBondContact O-CB 3.26Å; E268-T272 PolarHBondContact O-N 2.74Å; E268-T272 PolarHBondContact O-OG1 2.65Å
269I98.2Very high96.4Very high0 Ų031.2 Ų31.20%018%0.176CC..Hα-helixtrans-62.9-48.8173-67.2163.2000109.9I239 L248 Y251 V252 V265 C266 S267 D271 T272 S273 V284 L286I239-I269 HydrophobicContact CD1-CG2 4.2Å; I239-I269 HydrophobicContact CG2-CG2 4.06Å; L248-I269 HydrophobicContact CD1-CD1 4.33Å; L248-I269 HydrophobicContact CD1-CG1 4.19Å; L248-I269 HydrophobicContact CD1-CG2 4.2Å; Y251-I269 HydrophobicContact CD1-CG1 4.27Å; Y251-I269 HydrophobicContact CE1-CG1 3.99Å; V252-I269 HydrophobicContact CG2-CD1 3.79Å; V265-I269 HydrophobicContact CG1-CD1 4.17Å; V265-I269 VanDerWaalsContact O-CG1 3.29Å; V265-I269 WeakPolarHBondContact O-CG1 3.16Å; V265-I269 PolarHBondContact O-N 3.04Å; C266-I269 WeakPolarHBondContact O-CB 3.4Å; C266-I269 PolarHBondContact O-N 3.16Å; S267-I269 VanDerWaalsContact C-N 3.35Å; I269-D271 PolarHBondContact O-N 2.84Å; I269-T272 PolarHBondContact O-N 3.4Å; I269-S273 WeakPolarHBondContact O-CB 3.17Å; I269-S273 PolarHBondContact O-N 3.35Å; I269-S273 PolarHBondContact O-OG 3.11Å; I269-S273 VanDerWaalsContact O-OG 3.1Å; I269-V284 HydrophobicContact CB-CG1 4.41Å; I269-V284 HydrophobicContact CD1-CG2 4.2Å; I269-V284 HydrophobicContact CG2-CG1 4.37Å; I269-V284 HydrophobicContact CG2-CG2 4.36Å; I269-L286 HydrophobicContact CD1-CD1 4.14Å
270L98.2Very high96.5Very high0 Ų031 Ų310%018%0.175CC..Hα-helixtrans-57.4-49.7177.8-64.3178.5000111.7K12 S27 M29 I239 C266 S267 T272 S273 L274 M282 V284K12-L270 HydrophobicContact CD-CD1 4.14Å; K12-L270 HydrophobicContact CG-CD1 4.19Å; S27-L270 WeakPolarHBondContact OG-CD1 2.99Å; M29-L270 HydrophobicContact CB-CD1 3.94Å; M29-L270 HydrophobicContact CE-CB 4.03Å; M29-L270 WeakPolarHBondContact CE-O 3.46Å; I239-L270 HydrophobicContact CD1-CD2 4.06Å; C266-L270 WeakPolarHBondContact O-CG 3.41Å; C266-L270 PolarHBondContact O-N 2.83Å; C266-L270 VanDerWaalsContact O-N 3.08Å; S267-L270 PolarHBondContact O-N 2.78Å; L270-T272 VanDerWaalsContact C-N 3.35Å; L270-T272 PolarHBondContact O-N 2.87Å; L270-S273 PolarHBondContact O-N 2.77Å; L270-L274 PolarHBondContact O-N 2.84Å; L270-M282 HydrophobicContact CD2-CB 3.55Å; L270-M282 WeakPolarHBondContact CD2-O 3.31Å; L270-V284 HydrophobicContact CD2-CG1 3.99Å; L270-V284 HydrophobicContact CG-CG1 4.13Å
271D97.4Very high97Very high26 Ų2626.4 Ų26.414%0.13914%0.144CC..Hα-helixtrans-63.3-43.1179.6-77.7-23.3000111.1K12 S267 I269 S273 L274 H275 A355K12-D271 WeakPolarHBondContact CE-OD1 3.09Å; K12-D271 WeakPolarHBondContact CE-OD2 3.43Å; K12-D271 IonicContact NZ-OD1 3.05Å; K12-D271 PolarHBondContact NZ-OD1 3.36Å; K12-D271 IonicContact NZ-OD2 2.83Å; K12-D271 PolarHBondContact NZ-OD2 2.98Å; S267-D271 PolarHBondContact O-N 2.92Å; I269-D271 PolarHBondContact O-N 2.84Å; D271-S273 VanDerWaalsContact C-N 3.34Å; D271-S273 PolarHBondContact O-N 2.99Å; D271-L274 PolarHBondContact O-N 3.39Å; D271-H275 PolarHBondContact O-N 3.01Å; D271-H275 VanDerWaalsContact O-N 3.09Å; D271-H275 PolarHBondContact O-ND1 3.28Å; D271-A355 HydrophobicContact CB-CB 3.7Å
272T97.4Very high97.2Very high3 Ų324.6 Ų24.62%0.01813%0.132CC..Hα-helixtrans-63.4-41.2177-56.40000111.1F243 Y251 E268 I269 L270 H275 K276 T352F243-T272 HydrophobicContact CE2-CG2 4.24Å; F243-T272 HydrophobicContact CZ-CG2 3.58Å; Y251-T272 PolarHBondContact OH-OG1 2.86Å; E268-T272 WeakPolarHBondContact O-CB 3.26Å; E268-T272 PolarHBondContact O-N 2.74Å; E268-T272 PolarHBondContact O-OG1 2.65Å; I269-T272 PolarHBondContact O-N 3.4Å; L270-T272 VanDerWaalsContact C-N 3.35Å; L270-T272 PolarHBondContact O-N 2.87Å; T272-H275 PolarHBondContact O-N 2.89Å; T272-K276 HydrophobicContact CG2-CD 3.88Å; T272-K276 HydrophobicContact CG2-CG 4.24Å; T272-K276 WeakPolarHBondContact O-CB 3.44Å; T272-K276 VanDerWaalsContact O-CG 3.28Å; T272-K276 WeakPolarHBondContact O-CG 3.16Å; T272-K276 PolarHBondContact O-N 3.42Å; T272-T352 HydrophobicContact CG2-CG2 4.13Å
273S97.9Very high97.2Very high0 Ų024 Ų240%013%0.129CC..Hα-helixtrans-60.9-45.9177.6-70.30000112I239 F243 I269 L270 D271 H275 K276 G277 S278 M282I239-S273 VanDerWaalsContact CD1-OG 3.32Å; I239-S273 WeakPolarHBondContact CD1-OG 3.29Å; F243-S273 WeakPolarHBondContact CD2-OG 3.29Å; F243-S273 VanDerWaalsContact CE2-OG 3.28Å; F243-S273 WeakPolarHBondContact CE2-OG 3.48Å; I269-S273 WeakPolarHBondContact O-CB 3.17Å; I269-S273 PolarHBondContact O-N 3.35Å; I269-S273 PolarHBondContact O-OG 3.11Å; I269-S273 VanDerWaalsContact O-OG 3.1Å; L270-S273 PolarHBondContact O-N 2.77Å; D271-S273 VanDerWaalsContact C-N 3.34Å; D271-S273 PolarHBondContact O-N 2.99Å; S273-H275 VanDerWaalsContact C-N 3.31Å; S273-H275 PolarHBondContact O-N 3.44Å; S273-K276 PolarHBondContact O-N 3.14Å; S273-G277 PolarHBondContact O-N 2.89Å; S273-S278 VanDerWaalsContact O-CB 3.27Å; S273-S278 WeakPolarHBondContact O-CB 3.3Å; S273-S278 PolarHBondContact O-N 3.05Å; S273-M282 WeakPolarHBondContact CB-SD 3.37Å
274L96.6Very high97.3Very high17 Ų1723.5 Ų23.59%0.08913%0.125CC..Hα-helixtrans-56.5-46.5174.7-173.372.5000111.3P8 T10 M29 L270 D271 K276 G277 M282P8-L274 HydrophobicContact CB-CD1 4.01Å; P8-L274 HydrophobicContact CB-CD2 4.4Å; P8-L274 HydrophobicContact CG-CD1 4.44Å; P8-L274 HydrophobicContact CG-CD2 4.24Å; T10-L274 HydrophobicContact CG2-CD2 3.69Å; M29-L274 HydrophobicContact CE-CB 3.89Å; M29-L274 HydrophobicContact CE-CD1 4.35Å; M29-L274 HydrophobicContact CE-CD2 4.12Å; M29-L274 HydrophobicContact CE-CG 4.35Å; L270-L274 PolarHBondContact O-N 2.84Å; D271-L274 PolarHBondContact O-N 3.39Å; L274-K276 VanDerWaalsContact C-N 3.34Å; L274-K276 PolarHBondContact O-N 3.43Å; L274-G277 PolarHBondContact O-N 2.9Å; L274-G277 VanDerWaalsContact O-N 3.09Å; L274-M282 HydrophobicContact CB-CE 4.18Å; L274-M282 HydrophobicContact CD1-CE 3.98Å
275H94.4Very high97.4Very high35 Ų3519.8 Ų19.816%0.16211%0.105CC..Hα-helixtrans-74-20.9-179-71109.4000114.4D271 T272 S273 R354 E358D271-H275 PolarHBondContact O-N 3.01Å; D271-H275 VanDerWaalsContact O-N 3.09Å; D271-H275 PolarHBondContact O-ND1 3.28Å; T272-H275 PolarHBondContact O-N 2.89Å; S273-H275 VanDerWaalsContact C-N 3.31Å; S273-H275 PolarHBondContact O-N 3.44Å; H275-R354 HydrophobicContact CB-CB 4.13Å; H275-R354 HydrophobicContact CB-CG 4.3Å; H275-R354 WeakPolarHBondContact CD2-CD 3.48Å; H275-R354 VanDerWaalsContact CD2-CG 3.4Å; H275-R354 WeakPolarHBondContact CD2-CG 3.1Å; H275-R354 PolarHBondContact CD2-NE 3.43Å; H275-E358 IonicContact CD2-OE1 3.02Å; H275-E358 IonicContact NE2-OE1 2.74Å; H275-E358 PolarHBondContact NE2-OE1 3.27Å; H275-E358 IonicContact NE2-OE2 3.86Å; H275-E358 PolarHBondContact NE2-OE2 3.25Å
276K95.5Very high97.4Very high72 Ų7219.9 Ų19.931%0.31311%0.105SC..THydrogen-bonded Turntrans-80-5.8169.4-71.6179.480.1178.50112.8V242 F243 T272 S273 L274 N351V242-K276 HydrophobicContact CB-CB 3.88Å; V242-K276 HydrophobicContact CG1-CB 4.25Å; V242-K276 HydrophobicContact CG2-CB 4.31Å; V242-K276 WeakPolarHBondContact O-CE 3.37Å; V242-K276 PolarHBondContact O-NZ 2.87Å; F243-K276 HydrophobicContact CE1-CD 4.24Å; F243-K276 HydrophobicContact CE2-CD 4.24Å; F243-K276 HydrophobicContact CZ-CD 3.97Å; T272-K276 HydrophobicContact CG2-CD 3.88Å; T272-K276 HydrophobicContact CG2-CG 4.24Å; T272-K276 WeakPolarHBondContact O-CB 3.44Å; T272-K276 VanDerWaalsContact O-CG 3.28Å; T272-K276 WeakPolarHBondContact O-CG 3.16Å; T272-K276 PolarHBondContact O-N 3.42Å; S273-K276 PolarHBondContact O-N 3.14Å; L274-K276 VanDerWaalsContact C-N 3.34Å; L274-K276 PolarHBondContact O-N 3.43Å; K276-N351 HydrophobicContact CG-CB 4.11Å
277G95.4Very high97.4Very high49 Ų4919.9 Ų19.951%0.50511%0.105SC..THydrogen-bonded Turntrans107.512.1172.800000114.5S273 L274 R279S273-G277 PolarHBondContact O-N 2.89Å; L274-G277 PolarHBondContact O-N 2.9Å; L274-G277 VanDerWaalsContact O-N 3.09Å; G277-R279 WeakPolarHBondContact O-CG 3.18Å; G277-R279 PolarHBondContact O-N 3.49Å
278S97.1Very high97.5Very high6 Ų618.9 Ų18.94%0.04210%0.099CC..  trans-61.4130.6170.8-177.90000109.7G238 S273G238-S278 VanDerWaalsContact O-CB 3.27Å; G238-S278 WeakPolarHBondContact O-CB 3.45Å; G238-S278 PolarHBondContact O-OG 3.42Å; S273-S278 VanDerWaalsContact O-CB 3.27Å; S273-S278 WeakPolarHBondContact O-CB 3.3Å; S273-S278 PolarHBondContact O-N 3.05Å
279R96.6Very high97.5Very high119 Ų11917.3 Ų17.345%0.4499%0.091SC..  trans-115.914.1178.8-57.2-171.870.6-171.72.1112.4F4 W32 G277F4-R279 HydrophobicContact CD1-CB 4.37Å; F4-R279 VanDerWaalsContact CD2-NH2 3.29Å; F4-R279 HydrophobicContact CE1-CB 3.72Å; F4-R279 HydrophobicContact CZ-CB 4.35Å; W32-R279 HydrophobicContact CB-CB 4.2Å; W32-R279 HydrophobicContact CG-CB 4.39Å; G277-R279 WeakPolarHBondContact O-CG 3.18Å; G277-R279 PolarHBondContact O-N 3.49Å
280D97.1Very high97.5Very high24 Ų2420.7 Ų20.713%0.12811%0.109CC..SBendtrans-100.4175.7-176.1-137.2-38.5000112.8R33R33-D280 IonicContact CZ-OD1 2.77Å; R33-D280 IonicContact CZ-OD2 3.51Å; R33-D280 IonicContact NE-OD1 3.71Å; R33-D280 PolarHBondContact NE-OD1 2.63Å; R33-D280 IonicContact NE-OD2 3.3Å; R33-D280 PolarHBondContact NE-OD2 3.14Å; R33-D280 IonicContact NH1-OD1 2.66Å; R33-D280 IonicContact NH2-OD1 3.59Å; R33-D280 PolarHBondContact NH2-OD1 3.34Å; R33-D280 IonicContact NH2-OD2 3.45Å; R33-D280 PolarHBondContact NH2-OD2 3.31Å
281N98.1Very high97.5Very high1 Ų122.1 Ų22.11%0.00512%0.121CC..  trans-60.7148.9154.3-65157.2000108.8Q30 R33 E35 M36 E37 D38Q30-N281 PolarHBondContact O-ND2 3.31Å; R33-N281 WeakPolarHBondContact CB-ND2 3.41Å; E35-N281 PolarHBondContact O-ND2 3.03Å; E35-N281 PolarHBondContact O-OD1 2.83Å; M36-N281 WeakPolarHBondContact CA-OD1 3.42Å; M36-N281 HydrophobicContact SD-CB 3.97Å; E37-N281 PolarHBondContact N-OD1 3.22Å; D38-N281 HydrophobicContact CB-CB 4.41Å
282M98.5Very high97.4Very high0 Ų021.6 Ų21.60%012%0.121CC..EExtended strand (participates in β ladder)trans-138.3123.1-177.3-74172.6-85.700109.3S28 M29 I239 L270 S273 L274S28-M282 CarbonylContact C-O 3.44Å; S28-M282 WeakPolarHBondContact CA-O 3.42Å; M29-M282 HydrophobicContact CE-CE 3.27Å; M29-M282 HydrophobicContact CE-SD 4.1Å; M29-M282 PolarHBondContact N-O 3.43Å; M29-M282 PolarHBondContact O-N 2.95Å; I239-M282 HydrophobicContact CD1-CB 3.87Å; I239-M282 HydrophobicContact CD1-CG 3.88Å; I239-M282 HydrophobicContact CD1-SD 4.21Å; L270-M282 HydrophobicContact CD2-CB 3.55Å; L270-M282 WeakPolarHBondContact CD2-O 3.31Å; S273-M282 WeakPolarHBondContact CB-SD 3.37Å; L274-M282 HydrophobicContact CB-CE 4.18Å; L274-M282 HydrophobicContact CD1-CE 3.98Å
283S98.7Very high97.4Very high0 Ų022.6 Ų22.60%013%0.127CC..EExtended strand (participates in β ladder)trans-131.1131.4172.1-63.20000109.6S27 S28 D38 A235 C236S27-S283 WeakPolarHBondContact O-CA 3.44Å; S28-S283 VanDerWaalsContact CB-OG 3.27Å; S28-S283 WeakPolarHBondContact CB-OG 3.47Å; D38-S283 VanDerWaalsContact CB-OG 3.32Å; D38-S283 WeakPolarHBondContact CB-OG 3.37Å; D38-S283 VanDerWaalsContact OD2-CB 3.25Å; D38-S283 WeakPolarHBondContact OD2-CB 3.49Å; D38-S283 PolarHBondContact OD2-N 3.46Å; D38-S283 PolarHBondContact OD2-OG 3.1Å; A235-S283 WeakPolarHBondContact CA-O 3.14Å; A235-S283 VanDerWaalsContact CB-O 3.29Å; A235-S283 WeakPolarHBondContact CB-O 3.36Å; C236-S283 PolarHBondContact N-O 2.84Å; C236-S283 PolarHBondContact SG-N 2.97Å
284V98.8Very high97.2Very high0 Ų028.2 Ų28.20%016%0.162CC..EExtended strand (participates in β ladder)trans-135.1132.2177.1640000110.2I26 S27 L233 A235 I239 C266 I269 L270I26-V284 VanDerWaalsContact CA-O 3.32Å; I26-V284 WeakPolarHBondContact CA-O 3.15Å; I26-V284 WeakPolarHBondContact CG1-O 3.33Å; S27-V284 PolarHBondContact N-O 2.97Å; S27-V284 PolarHBondContact O-N 2.78Å; L233-V284 HydrophobicContact CD2-CG2 4.32Å; L233-V284 HydrophobicContact CG-CG2 4.29Å; A235-V284 HydrophobicContact CB-CB 4.26Å; A235-V284 HydrophobicContact CB-CG2 4.19Å; I239-V284 HydrophobicContact CG1-CB 4.45Å; C266-V284 HydrophobicContact CB-CG1 3.88Å; I269-V284 HydrophobicContact CB-CG1 4.41Å; I269-V284 HydrophobicContact CD1-CG2 4.2Å; I269-V284 HydrophobicContact CG2-CG1 4.37Å; I269-V284 HydrophobicContact CG2-CG2 4.36Å; L270-V284 HydrophobicContact CD2-CG1 3.99Å; L270-V284 HydrophobicContact CG-CG1 4.13Å
285L98.8Very high97.2Very high0 Ų030.4 Ų30.40%018%0.176CC..EExtended strand (participates in β ladder)trans-118.2122.4178.1-164.8159.4000108.4A25 I26 A42 F56 V58 L233 L234 V287A25-L285 CarbonylContact O-C 3.54Å; A25-L285 WeakPolarHBondContact O-CA 3.43Å; I26-L285 HydrophobicContact CB-CB 4.37Å; I26-L285 HydrophobicContact CB-CG 4.16Å; I26-L285 HydrophobicContact CD1-CB 4Å; I26-L285 HydrophobicContact CD1-CD1 3.93Å; I26-L285 HydrophobicContact CD1-CG 4.18Å; I26-L285 HydrophobicContact CG1-CB 4.41Å; A42-L285 HydrophobicContact CB-CD1 4.42Å; F56-L285 HydrophobicContact CB-CD1 3.82Å; F56-L285 HydrophobicContact CB-CD2 4.06Å; F56-L285 HydrophobicContact CD1-CD1 4.13Å; F56-L285 HydrophobicContact CD1-CD2 3.92Å; F56-L285 HydrophobicContact CG-CD1 4.41Å; F56-L285 HydrophobicContact CG-CD2 4.1Å; V58-L285 HydrophobicContact CG2-CB 4.1Å; L233-L285 CarbonylContact C-O 3.52Å; L233-L285 VanDerWaalsContact CA-O 3.28Å; L233-L285 WeakPolarHBondContact CA-O 3.43Å; L234-L285 HydrophobicContact CB-CB 4.17Å; L234-L285 PolarHBondContact N-O 2.91Å; L234-L285 PolarHBondContact O-N 2.89Å; L285-V287 HydrophobicContact CD2-CG2 3.32Å
286L98.7Very high97.2Very high1 Ų132 Ų321%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-110.3128.6170.9-63.5179.8000110Y24 A25 V231 L233 V252 V265 C266 I269Y24-L286 CarbonylContact C-O 3.54Å; Y24-L286 WeakPolarHBondContact CA-O 3.28Å; Y24-L286 WeakPolarHBondContact CB-O 3.36Å; A25-L286 PolarHBondContact N-O 3Å; A25-L286 PolarHBondContact O-N 2.82Å; V231-L286 HydrophobicContact CG1-CD2 4.05Å; L233-L286 HydrophobicContact CB-CD2 3.79Å; L233-L286 HydrophobicContact CD1-CD2 3.53Å; L233-L286 HydrophobicContact CG-CD2 3.5Å; V252-L286 HydrophobicContact CG1-CD1 4.48Å; V252-L286 HydrophobicContact CG1-CD2 4.29Å; V252-L286 HydrophobicContact CG2-CD2 4.49Å; V265-L286 HydrophobicContact CB-CD1 3.98Å; V265-L286 HydrophobicContact CG1-CD1 3.59Å; C266-L286 VanDerWaalsContact SG-CG 3.58Å; I269-L286 HydrophobicContact CD1-CD1 4.14Å
287V98.6Very high97.3Very high0 Ų033.7 Ų33.70%020%0.204CC..EExtended strand (participates in β ladder)trans-113.6113.6168.4-170.60000108.2L22 R23 F56 V231 L232 L285 L289L22-V287 HydrophobicContact CB-CG1 4.1Å; L22-V287 HydrophobicContact CD1-CG1 4.08Å; R23-V287 CarbonylContact O-C 3.6Å; R23-V287 WeakPolarHBondContact O-CA 3.39Å; F56-V287 HydrophobicContact CD1-CG2 3.94Å; F56-V287 HydrophobicContact CD2-CG2 3.74Å; F56-V287 HydrophobicContact CE1-CG2 3.93Å; F56-V287 HydrophobicContact CE2-CB 4.47Å; F56-V287 HydrophobicContact CE2-CG1 3.93Å; F56-V287 HydrophobicContact CE2-CG2 3.71Å; F56-V287 HydrophobicContact CG-CG2 3.85Å; F56-V287 HydrophobicContact CZ-CG1 3.92Å; F56-V287 HydrophobicContact CZ-CG2 3.81Å; V231-V287 WeakPolarHBondContact CA-O 3.35Å; L232-V287 HydrophobicContact CB-CB 4.18Å; L232-V287 HydrophobicContact CD2-CG2 4.43Å; L232-V287 PolarHBondContact N-O 2.95Å; L232-V287 PolarHBondContact O-N 2.82Å; L285-V287 HydrophobicContact CD2-CG2 3.32Å; V287-L289 HydrophobicContact CG1-CD2 4.19Å; V287-L289 PolarHBondContact O-N 2.94Å
288A98.3Very high97.3Very high3 Ų336.8 Ų36.83%0.02521%0.205CC..EExtended strand (participates in β ladder)trans-73120.3168.500000109.5R23 L262 A292R23-A288 HydrophobicContact CB-CB 4.34Å; R23-A288 PolarHBondContact N-O 3.34Å; R23-A288 PolarHBondContact O-N 3.37Å; L262-A288 HydrophobicContact CD1-CB 3.9Å; L262-A288 HydrophobicContact CD2-CB 4.22Å; A288-A292 HydrophobicContact CB-CB 3.69Å
289L98.3Very high97.2Very high7 Ų737.3 Ų37.34%0.03721%0.21CC..  trans-93.7-174.3175.7-56.5174.4000110L22 V132 I137 L149 D229 Q230 L232 V287 A291 A292L22-L289 HydrophobicContact CD2-CD2 3.84Å; V132-L289 HydrophobicContact CG1-CD2 4.4Å; I137-L289 HydrophobicContact CD1-CD1 3.81Å; L149-L289 HydrophobicContact CD1-CD1 3.59Å; D229-L289 HydrophobicContact CB-CB 4.16Å; D229-L289 HydrophobicContact CB-CD1 3.86Å; D229-L289 WeakPolarHBondContact O-CB 3.46Å; Q230-L289 PolarHBondContact O-N 2.89Å; L232-L289 HydrophobicContact CB-CD1 4.27Å; V287-L289 HydrophobicContact CG1-CD2 4.19Å; V287-L289 PolarHBondContact O-N 2.94Å; L289-A291 VanDerWaalsContact C-N 3.31Å; L289-A291 PolarHBondContact O-N 3.02Å; L289-A292 WeakPolarHBondContact O-CB 3.31Å; L289-A292 PolarHBondContact O-N 3.39Å; L289-A292 VanDerWaalsContact O-N 3.12Å
290D96.9Very high97.2Very high71 Ų7133.7 Ų33.738%0.3820%0.201SC..THydrogen-bonded Turntrans-59.7-35.5-169.4-46.9-113.5000113.7R224 K226R224-D290 IonicContact CZ-OD2 2.62Å; R224-D290 IonicContact NE-OD2 2.73Å; R224-D290 IonicContact NH2-OD1 2.65Å; R224-D290 IonicContact NH2-OD2 2.93Å; R224-D290 PolarHBondContact NH2-OD2 3.11Å; K226-D290 HydrophobicContact CB-CB 3.92Å; K226-D290 WeakPolarHBondContact CD-OD1 3.37Å; K226-D290 HydrophobicContact CG-CB 4.41Å; K226-D290 WeakPolarHBondContact O-CB 3.27Å
291A97.6Very high97.1Very high30 Ų3035.4 Ų35.425%0.24821%0.214CC..THydrogen-bonded Turntrans-100.817.8-179.700000113.5K226 D229 Q230 L289K226-A291 WeakPolarHBondContact O-CB 3.49Å; D229-A291 WeakPolarHBondContact O-CA 3.45Å; D229-A291 WeakPolarHBondContact O-CB 3.21Å; D229-A291 PolarHBondContact O-N 3.32Å; Q230-A291 HydrophobicContact CG-CB 4.2Å; Q230-A291 WeakPolarHBondContact CG-O 3.21Å; L289-A291 VanDerWaalsContact C-N 3.31Å; L289-A291 PolarHBondContact O-N 3.02Å
292A97.3Very high97Very high16 Ų1639.4 Ų39.413%0.13223%0.231CC..PPolyproline II helixtrans-52.6136.717700000111.2Q230 A288 L289 T294Q230-A292 WeakPolarHBondContact O-CA 3.44Å; Q230-A292 VanDerWaalsContact O-CB 3.3Å; Q230-A292 WeakPolarHBondContact O-CB 3.23Å; A288-A292 HydrophobicContact CB-CB 3.69Å; L289-A292 WeakPolarHBondContact O-CB 3.31Å; L289-A292 PolarHBondContact O-N 3.39Å; L289-A292 VanDerWaalsContact O-N 3.12Å; A292-T294 PolarHBondContact O-N 2.6Å
293P96Very high96.8Very high24 Ų2440 Ų4016%0.15623%0.234CC..PPolyproline II helixtrans-54.8141.1177-2431.5000112.1L253 L256L253-P293 HydrophobicContact CD2-CG 3.56Å; L256-P293 HydrophobicContact CB-CB 4.04Å; L256-P293 HydrophobicContact CB-CG 4.29Å; L256-P293 HydrophobicContact CD1-CG 4.42Å
294T94Very high96.7Very high118 Ų11845.7 Ų45.772%0.72426%0.262SS*.PPolyproline II helixtrans-98.1156.4169.857.70000110A292 N296A292-T294 PolarHBondContact O-N 2.6Å; T294-N296 PolarHBondContact O-N 2.79Å
295V95.9Very high96.6Very high62 Ų6250.4 Ų50.438%0.37628%0.284SS..PPolyproline II helixtrans-53.1127.5176.2179.70000110.7C257 P260 V300C257-V295 CarbonylContact O-C 3.48Å; C257-V295 WeakPolarHBondContact O-CA 3.35Å; P260-V295 HydrophobicContact CB-CG2 4.14Å; V295-V300 HydrophobicContact CG1-CG2 3.41Å; V295-V300 VanDerWaalsContact CG1-CG2 3.41Å
296N96.2Very high96.5Very high70 Ų7050.5 Ų50.537%0.37428%0.284SS..  trans-104.9118.5177.5178.3-19.7000109.1C257 T294 E298 A299 V300C257-N296 HydrophobicContact CB-CB 4.28Å; C257-N296 PolarHBondContact O-N 3.15Å; T294-N296 PolarHBondContact O-N 2.79Å; N296-E298 PolarHBondContact O-N 3.4Å; N296-E298 VanDerWaalsContact O-N 3.14Å; N296-E298 WeakPolarHBondContact OD1-CB 3.44Å; N296-E298 PolarHBondContact OD1-N 3.22Å; N296-A299 HydrophobicContact CB-CB 4.01Å; N296-A299 WeakPolarHBondContact O-CB 3.49Å; N296-A299 PolarHBondContact O-N 3.25Å; N296-V300 WeakPolarHBondContact O-CG2 3.33Å; N296-V300 PolarHBondContact O-N 3.39Å
297P95.9Very high96.3Very high107 Ų10751.9 Ų51.970%0.69529%0.292SS*.Hα-helixtrans-53.8-34.2-179.9-27.935.4000114.9C301P297-C301 WeakPolarHBondContact O-CB 3.14Å; P297-C301 PolarHBondContact O-N 3.01Å
298E95.8Very high96.2Very high114 Ų11455.4 Ų55.453%0.53331%0.313SS..Hα-helixtrans-70-39.8177.4-168.7-170.4155.400111.6N296 C301 K302N296-E298 PolarHBondContact O-N 3.4Å; N296-E298 VanDerWaalsContact O-N 3.14Å; N296-E298 WeakPolarHBondContact OD1-CB 3.44Å; N296-E298 PolarHBondContact OD1-N 3.22Å; E298-C301 WeakPolarHBondContact O-CB 3.42Å; E298-C301 PolarHBondContact O-N 2.91Å; E298-K302 WeakPolarHBondContact O-CG 3.46Å; E298-K302 PolarHBondContact O-N 3.1Å; E298-K302 VanDerWaalsContact OE1-CE 3.3Å; E298-K302 WeakPolarHBondContact OE1-CE 3.45Å; E298-K302 IonicContact OE1-NZ 3.46Å; E298-K302 PolarHBondContact OE1-NZ 3.33Å
299A95.6Very high96.1Very high17 Ų1757.6 Ų57.614%0.1433%0.329CS..Hα-helixtrans-66.9-39.1176.800000111.3C257 N296 K302 E303C257-A299 HydrophobicContact CB-CB 4.09Å; N296-A299 HydrophobicContact CB-CB 4.01Å; N296-A299 WeakPolarHBondContact O-CB 3.49Å; N296-A299 PolarHBondContact O-N 3.25Å; A299-K302 PolarHBondContact O-N 3.22Å; A299-E303 WeakPolarHBondContact O-CB 3.48Å; A299-E303 PolarHBondContact O-N 3.38Å
300V95.9Very high96Very high42 Ų4257.3 Ų57.326%0.25533%0.327SS..Hα-helixtrans-62.4-43172.6178.20000111.1V295 N296 E303 M304V295-V300 HydrophobicContact CG1-CG2 3.41Å; V295-V300 VanDerWaalsContact CG1-CG2 3.41Å; N296-V300 WeakPolarHBondContact O-CG2 3.33Å; N296-V300 PolarHBondContact O-N 3.39Å; V300-E303 WeakPolarHBondContact O-CB 3.11Å; V300-E303 PolarHBondContact O-N 2.94Å; V300-M304 HydrophobicContact CG1-CG 4.45Å; V300-M304 HydrophobicContact CG1-SD 4.09Å; V300-M304 WeakPolarHBondContact O-CG 3.15Å; V300-M304 PolarHBondContact O-N 3.05Å
301C96.3Very high96Very high60 Ų6055.6 Ų55.641%0.40532%0.318SS..Hα-helixtrans-59.8-48.8177.5-170.70000111.8P297 E298 E303 M304 E305P297-C301 WeakPolarHBondContact O-CB 3.14Å; P297-C301 PolarHBondContact O-N 3.01Å; E298-C301 WeakPolarHBondContact O-CB 3.42Å; E298-C301 PolarHBondContact O-N 2.91Å; C301-E303 VanDerWaalsContact C-N 3.3Å; C301-E303 PolarHBondContact O-N 3.15Å; C301-M304 PolarHBondContact O-N 3.16Å; C301-E305 WeakPolarHBondContact O-CG 3.33Å; C301-E305 PolarHBondContact O-N 3.41Å; C301-E305 PolarHBondContact SG-OE1 2.74Å
302K95.2Very high95.8Very high86 Ų8658.6 Ų58.637%0.37433%0.33SS..Hα-helixtrans-61.5-38.2177.9-72175.1-174.7166.20112.7E298 A299 E305 L306 N344E298-K302 WeakPolarHBondContact O-CG 3.46Å; E298-K302 PolarHBondContact O-N 3.1Å; E298-K302 VanDerWaalsContact OE1-CE 3.3Å; E298-K302 WeakPolarHBondContact OE1-CE 3.45Å; E298-K302 IonicContact OE1-NZ 3.46Å; E298-K302 PolarHBondContact OE1-NZ 3.33Å; A299-K302 PolarHBondContact O-N 3.22Å; K302-E305 PolarHBondContact O-N 3.29Å; K302-L306 PolarHBondContact O-N 2.9Å; K302-L306 VanDerWaalsContact O-N 3.1Å; K302-N344 HydrophobicContact CB-CB 4.32Å
303E94.6Very high95.6Very high13 Ų1359.2 Ų59.26%0.06133%0.331CS..Hα-helixtrans-62.3-47.6174.6-178.574.9171.900111.3R255 A299 V300 C301 E305 L306 D307 K353R255-E303 IonicContact CZ-OE1 3.18Å; R255-E303 VanDerWaalsContact CZ-OE1 3.23Å; R255-E303 IonicContact CZ-OE2 2.69Å; R255-E303 IonicContact NH1-OE1 3.37Å; R255-E303 PolarHBondContact NH1-OE1 3.44Å; R255-E303 IonicContact NH1-OE2 2.76Å; R255-E303 PolarHBondContact NH1-OE2 2.81Å; R255-E303 IonicContact NH2-OE1 3.23Å; R255-E303 PolarHBondContact NH2-OE1 3.08Å; A299-E303 WeakPolarHBondContact O-CB 3.48Å; A299-E303 PolarHBondContact O-N 3.38Å; V300-E303 WeakPolarHBondContact O-CB 3.11Å; V300-E303 PolarHBondContact O-N 2.94Å; C301-E303 VanDerWaalsContact C-N 3.3Å; C301-E303 PolarHBondContact O-N 3.15Å; E303-E305 VanDerWaalsContact C-N 3.33Å; E303-E305 PolarHBondContact O-N 3.23Å; E303-L306 WeakPolarHBondContact O-CB 3.03Å; E303-L306 PolarHBondContact O-N 2.88Å; E303-D307 PolarHBondContact O-N 3.33Å; E303-K353 WeakPolarHBondContact OE1-CE 3.31Å; E303-K353 IonicContact OE1-NZ 2.93Å; E303-K353 PolarHBondContact OE1-NZ 2.97Å
304M95.5Very high95.4Very high119 Ų11958.1 Ų58.159%0.58632%0.323SS*.Hα-helixtrans-64.1-36.6178.3-70.5177.166.200112.7V300 C301 D307 T308V300-M304 HydrophobicContact CG1-CG 4.45Å; V300-M304 HydrophobicContact CG1-SD 4.09Å; V300-M304 WeakPolarHBondContact O-CG 3.15Å; V300-M304 PolarHBondContact O-N 3.05Å; C301-M304 PolarHBondContact O-N 3.16Å; M304-D307 PolarHBondContact O-N 2.82Å; M304-T308 WeakPolarHBondContact O-CB 3.48Å; M304-T308 PolarHBondContact O-N 3.16Å; M304-T308 PolarHBondContact O-OG1 3.42Å
305E96.7Very high95.3Very high98 Ų9855 Ų5546%0.45830%0.304SS..Hα-helixtrans-62.8-43174.1-73.6169.6-170.200111.8C301 K302 E303 S309 N344C301-E305 WeakPolarHBondContact O-CG 3.33Å; C301-E305 PolarHBondContact O-N 3.41Å; C301-E305 PolarHBondContact SG-OE1 2.74Å; K302-E305 PolarHBondContact O-N 3.29Å; E303-E305 VanDerWaalsContact C-N 3.33Å; E303-E305 PolarHBondContact O-N 3.23Å; E305-S309 WeakPolarHBondContact O-CB 2.98Å; E305-S309 PolarHBondContact O-N 2.84Å; E305-S309 PolarHBondContact O-OG 3.01Å; E305-N344 PolarHBondContact OE2-ND2 2.92Å
306L96.4Very high95.1Very high2 Ų256.6 Ų56.61%0.0131%0.311CS..Hα-helixtrans-62.5-50.3174.4172.460.3000110.8K302 E303 T308 S309 L310 L342 N344 Y345 K353K302-L306 PolarHBondContact O-N 2.9Å; K302-L306 VanDerWaalsContact O-N 3.1Å; E303-L306 WeakPolarHBondContact O-CB 3.03Å; E303-L306 PolarHBondContact O-N 2.88Å; L306-T308 VanDerWaalsContact C-N 3.28Å; L306-T308 PolarHBondContact O-N 2.86Å; L306-S309 WeakPolarHBondContact O-CA 3.47Å; L306-S309 WeakPolarHBondContact O-CB 3.48Å; L306-S309 PolarHBondContact O-N 3.36Å; L306-L310 HydrophobicContact CD1-CD1 3.98Å; L306-L310 HydrophobicContact CD1-CD2 4.33Å; L306-L310 HydrophobicContact CD1-CG 3.89Å; L306-L310 HydrophobicContact CG-CD1 3.87Å; L306-L310 HydrophobicContact CG-CG 4.24Å; L306-L310 WeakPolarHBondContact O-CG 3.43Å; L306-L310 PolarHBondContact O-N 2.77Å; L306-L342 HydrophobicContact CD1-CB 4.03Å; L306-L342 HydrophobicContact CD1-CD1 4.16Å; L306-N344 HydrophobicContact CB-CB 4.23Å; L306-N344 WeakPolarHBondContact CD2-O 3.43Å; L306-Y345 HydrophobicContact CD1-CD1 4.29Å; L306-Y345 HydrophobicContact CD1-CE1 4.03Å; L306-Y345 HydrophobicContact CD2-CD1 3.83Å; L306-Y345 HydrophobicContact CD2-CE1 4.25Å; L306-Y345 HydrophobicContact CD2-CG 4.27Å; L306-K353 HydrophobicContact CD2-CG 4Å
307D96.1Very high94.8Very high30 Ų3054.6 Ų54.616%0.1630%0.3CS..Hα-helixtrans-60.2-40.4-179-75.6-11000111.9E303 M304 S309 L310 N311 K353 Y356E303-D307 PolarHBondContact O-N 3.33Å; M304-D307 PolarHBondContact O-N 2.82Å; D307-S309 VanDerWaalsContact C-N 3.34Å; D307-S309 PolarHBondContact O-N 3.45Å; D307-L310 PolarHBondContact O-N 2.66Å; D307-N311 WeakPolarHBondContact O-CB 3.41Å; D307-N311 PolarHBondContact O-N 3.44Å; D307-N311 PolarHBondContact O-ND2 3.48Å; D307-N311 PolarHBondContact O-OD1 2.91Å; D307-K353 VanDerWaalsContact OD1-CE 3.23Å; D307-K353 WeakPolarHBondContact OD1-CE 3.5Å; D307-K353 IonicContact OD1-NZ 3.65Å; D307-K353 PolarHBondContact OD1-NZ 2.92Å; D307-K353 IonicContact OD2-NZ 3.74Å; D307-K353 PolarHBondContact OD2-NZ 3.17Å; D307-Y356 HydrophobicContact CB-CE1 4.37Å
308T96.6Very high94.4Very high74 Ų7450.1 Ų50.145%0.45427%0.27SS..Hα-helixtrans-61.5-43.8173.7-57.70000111.4M304 L306 N311 N312M304-T308 WeakPolarHBondContact O-CB 3.48Å; M304-T308 PolarHBondContact O-N 3.16Å; M304-T308 PolarHBondContact O-OG1 3.42Å; L306-T308 VanDerWaalsContact C-N 3.28Å; L306-T308 PolarHBondContact O-N 2.86Å; T308-N311 PolarHBondContact O-N 3.08Å; T308-N312 WeakPolarHBondContact O-CB 3.37Å; T308-N312 VanDerWaalsContact O-CG 3.24Å; T308-N312 PolarHBondContact O-N 2.83Å; T308-N312 PolarHBondContact O-ND2 3.06Å
309S96.4Very high94Very high50 Ų5049.4 Ų49.435%0.3527%0.27SS..Hα-helixtrans-64.8-42.5178.5-58.30000112.1E305 L306 D307 M313E305-S309 WeakPolarHBondContact O-CB 2.98Å; E305-S309 PolarHBondContact O-N 2.84Å; E305-S309 PolarHBondContact O-OG 3.01Å; L306-S309 WeakPolarHBondContact O-CA 3.47Å; L306-S309 WeakPolarHBondContact O-CB 3.48Å; L306-S309 PolarHBondContact O-N 3.36Å; D307-S309 VanDerWaalsContact C-N 3.34Å; D307-S309 PolarHBondContact O-N 3.45Å; S309-M313 WeakPolarHBondContact O-CB 3.19Å; S309-M313 PolarHBondContact O-N 3.3Å; S309-M313 VanDerWaalsContact O-N 3.13Å
310L96.1Very high93.6Very high0 Ų053.7 Ų53.70%030%0.298CS..Hα-helixtrans-61.3-48.1174.9-68.8171.8000111L306 D307 M313 I314 V337 L342 Y345 K353 Y356 V357L306-L310 HydrophobicContact CD1-CD1 3.98Å; L306-L310 HydrophobicContact CD1-CD2 4.33Å; L306-L310 HydrophobicContact CD1-CG 3.89Å; L306-L310 HydrophobicContact CG-CD1 3.87Å; L306-L310 HydrophobicContact CG-CG 4.24Å; L306-L310 WeakPolarHBondContact O-CG 3.43Å; L306-L310 PolarHBondContact O-N 2.77Å; D307-L310 PolarHBondContact O-N 2.66Å; L310-M313 PolarHBondContact O-N 2.88Å; L310-I314 WeakPolarHBondContact O-CD1 3.34Å; L310-I314 VanDerWaalsContact O-CG1 3.25Å; L310-I314 WeakPolarHBondContact O-CG1 3.43Å; L310-I314 PolarHBondContact O-N 3.16Å; L310-V337 HydrophobicContact CD2-CG1 3.3Å; L310-L342 HydrophobicContact CD2-CD1 3.73Å; L310-L342 HydrophobicContact CG-CD1 4.17Å; L310-Y345 HydrophobicContact CD2-CE1 4.4Å; L310-K353 HydrophobicContact CD1-CB 4.1Å; L310-K353 HydrophobicContact CD1-CD 4.38Å; L310-K353 HydrophobicContact CD1-CG 4.14Å; L310-Y356 HydrophobicContact CB-CE1 4.24Å; L310-Y356 HydrophobicContact CD1-CD1 3.99Å; L310-Y356 HydrophobicContact CD1-CE1 4.2Å; L310-V357 HydrophobicContact CD1-CG2 4.39Å; L310-V357 HydrophobicContact CD2-CG2 4.03Å
311N95.2Very high92.9Very high35 Ų3552.3 Ų52.319%0.18729%0.292CS..Hα-helixtrans-59.9-49.9-178.8-68.9-7000111.6D307 T308 M313 I314 V315 Y356 F360D307-N311 WeakPolarHBondContact O-CB 3.41Å; D307-N311 PolarHBondContact O-N 3.44Å; D307-N311 PolarHBondContact O-ND2 3.48Å; D307-N311 PolarHBondContact O-OD1 2.91Å; T308-N311 PolarHBondContact O-N 3.08Å; N311-M313 VanDerWaalsContact C-N 3.3Å; N311-M313 PolarHBondContact O-N 2.91Å; N311-I314 PolarHBondContact O-N 3.34Å; N311-V315 WeakPolarHBondContact O-CG2 3.33Å; N311-V315 PolarHBondContact O-N 3.17Å; N311-Y356 VanDerWaalsContact CG-OH 3.23Å; N311-Y356 PolarHBondContact ND2-OH 3.42Å; N311-Y356 VanDerWaalsContact OD1-CE1 3.27Å; N311-Y356 WeakPolarHBondContact OD1-CE1 3.24Å; N311-Y356 PolarHBondContact OD1-OH 2.91Å; N311-F360 HydrophobicContact CB-CD2 4.45Å; N311-F360 HydrophobicContact CB-CE1 4Å; N311-F360 HydrophobicContact CB-CE2 3.72Å; N311-F360 HydrophobicContact CB-CZ 3.47Å; N311-F360 VanDerWaalsContact CB-CZ 3.47Å; N311-F360 WeakPolarHBondContact OD1-CD2 3.31Å; N311-F360 WeakPolarHBondContact OD1-CE2 3.36Å
312N94.5Very high91.8Very high93 Ų9351.9 Ų51.950%0.49730%0.297SS..Hα-helixtrans-58.7-44.3178.8-70.2-19.1000111.2T308 I314 V315 D316T308-N312 WeakPolarHBondContact O-CB 3.37Å; T308-N312 VanDerWaalsContact O-CG 3.24Å; T308-N312 PolarHBondContact O-N 2.83Å; T308-N312 PolarHBondContact O-ND2 3.06Å; N312-I314 PolarHBondContact O-N 3.13Å; N312-V315 PolarHBondContact O-N 3.36Å; N312-D316 VanDerWaalsContact O-CG 3.29Å; N312-D316 PolarHBondContact O-N 2.86Å
313M92.3Very high90.5Very high30 Ų3057.5 Ų57.515%0.14832%0.324CS..Hα-helixtrans-64-41.8179.3-173.7174.6-68.300112.9S309 L310 N311 V315 D316 I317 V337 M340 L342S309-M313 WeakPolarHBondContact O-CB 3.19Å; S309-M313 PolarHBondContact O-N 3.3Å; S309-M313 VanDerWaalsContact O-N 3.13Å; L310-M313 PolarHBondContact O-N 2.88Å; N311-M313 VanDerWaalsContact C-N 3.3Å; N311-M313 PolarHBondContact O-N 2.91Å; M313-V315 VanDerWaalsContact C-N 3.33Å; M313-D316 PolarHBondContact O-N 3.25Å; M313-I317 HydrophobicContact CG-CD1 4.07Å; M313-I317 WeakPolarHBondContact O-CD1 3.33Å; M313-I317 VanDerWaalsContact O-CG1 3.24Å; M313-I317 WeakPolarHBondContact O-CG1 3.21Å; M313-I317 PolarHBondContact O-N 3.05Å; M313-V337 HydrophobicContact CG-CG2 4.19Å; M313-V337 HydrophobicContact SD-CB 4.16Å; M313-V337 HydrophobicContact SD-CG1 4.14Å; M313-V337 HydrophobicContact SD-CG2 3.93Å; M313-M340 HydrophobicContact CE-CB 3.56Å; M313-M340 HydrophobicContact CE-CG 3.46Å; M313-M340 VanDerWaalsContact CE-CG 3.46Å; M313-M340 HydrophobicContact CE-SD 4.4Å; M313-M340 HydrophobicContact SD-CB 3.91Å; M313-M340 HydrophobicContact SD-CG 3.54Å; M313-M340 VanDerWaalsContact SD-CG 3.54Å; M313-L342 HydrophobicContact CE-CD1 4.13Å; M313-L342 HydrophobicContact CE-CD2 3.87Å; M313-L342 HydrophobicContact CE-CG 4.21Å
314I92.5Very high89.2Confident0 Ų062 Ų620%035%0.349CS..Hα-helixtrans-64.1-42.7176.5-64.9161000110.1L310 N311 N312 I317 I318 V333 V337 V357 F360 F361L310-I314 WeakPolarHBondContact O-CD1 3.34Å; L310-I314 VanDerWaalsContact O-CG1 3.25Å; L310-I314 WeakPolarHBondContact O-CG1 3.43Å; L310-I314 PolarHBondContact O-N 3.16Å; N311-I314 PolarHBondContact O-N 3.34Å; N312-I314 PolarHBondContact O-N 3.13Å; I314-I317 PolarHBondContact O-N 3.26Å; I314-I318 HydrophobicContact CG2-CD1 3.82Å; I314-I318 HydrophobicContact CG2-CG1 4.43Å; I314-I318 VanDerWaalsContact O-CG1 3.24Å; I314-I318 WeakPolarHBondContact O-CG1 3.43Å; I314-I318 PolarHBondContact O-N 2.72Å; I314-V333 HydrophobicContact CG1-CG1 4Å; I314-V333 HydrophobicContact CG2-CG1 4.27Å; I314-V337 HydrophobicContact CG1-CG2 4.1Å; I314-V357 HydrophobicContact CD1-CB 4.23Å; I314-V357 HydrophobicContact CD1-CG1 3.87Å; I314-V357 HydrophobicContact CD1-CG2 4.24Å; I314-V357 HydrophobicContact CG1-CG1 4.31Å; I314-F360 HydrophobicContact CB-CD1 3.91Å; I314-F360 HydrophobicContact CB-CE1 4.07Å; I314-F360 HydrophobicContact CD1-CB 4.13Å; I314-F360 HydrophobicContact CD1-CD1 3.6Å; I314-F360 HydrophobicContact CD1-CE1 4.41Å; I314-F360 HydrophobicContact CD1-CG 4.18Å; I314-F360 HydrophobicContact CG1-CD1 4.38Å; I314-F360 HydrophobicContact CG2-CD1 3.8Å; I314-F360 HydrophobicContact CG2-CE1 4.13Å; I314-F361 HydrophobicContact CG2-CB 4.05Å; I314-F361 HydrophobicContact CG2-CD2 4.18Å
315V92Very high88.1Confident52 Ų5257.2 Ų57.232%0.31533%0.328SS..Hα-helixtrans-60.7-44.8175.2170.50000111.1N311 N312 M313 I317 I318 N319 F360N311-V315 WeakPolarHBondContact O-CG2 3.33Å; N311-V315 PolarHBondContact O-N 3.17Å; N312-V315 PolarHBondContact O-N 3.36Å; M313-V315 VanDerWaalsContact C-N 3.33Å; V315-I317 PolarHBondContact O-N 3.38Å; V315-I318 PolarHBondContact O-N 3.24Å; V315-N319 WeakPolarHBondContact CG1-ND2 3.39Å; V315-N319 WeakPolarHBondContact O-CB 3.49Å; V315-N319 PolarHBondContact O-N 2.88Å; V315-N319 PolarHBondContact O-ND2 3.16Å; V315-F360 HydrophobicContact CG2-CE1 4.12Å; V315-F360 HydrophobicContact CG2-CZ 4.34Å
316D91.3Very high87Confident97 Ų9759.2 Ų59.252%0.51934%0.342SS..Hα-helixtrans-63.3-40.8178-71.9-19.4000112.3N312 M313 N319 S320N312-D316 VanDerWaalsContact O-CG 3.29Å; N312-D316 PolarHBondContact O-N 2.86Å; M313-D316 PolarHBondContact O-N 3.25Å; D316-N319 PolarHBondContact O-N 2.5Å; D316-S320 VanDerWaalsContact O-CB 3.24Å; D316-S320 WeakPolarHBondContact O-CB 3.36Å; D316-S320 PolarHBondContact O-N 2.78Å; D316-S320 PolarHBondContact O-OG 3.19Å
317I89.9Confident86.1Confident28 Ų2863.6 Ų63.614%0.14436%0.361CS..Hα-helixtrans-63.1-45.3175.1-68.8162.2000110.7M313 I314 V315 S320 A321 L328 Y332 V333 A336 V337M313-I317 HydrophobicContact CG-CD1 4.07Å; M313-I317 WeakPolarHBondContact O-CD1 3.33Å; M313-I317 VanDerWaalsContact O-CG1 3.24Å; M313-I317 WeakPolarHBondContact O-CG1 3.21Å; M313-I317 PolarHBondContact O-N 3.05Å; I314-I317 PolarHBondContact O-N 3.26Å; V315-I317 PolarHBondContact O-N 3.38Å; I317-S320 PolarHBondContact O-N 3.11Å; I317-A321 PolarHBondContact O-N 3.15Å; I317-L328 HydrophobicContact CG2-CD2 3.73Å; I317-Y332 HydrophobicContact CG2-CD1 4.48Å; I317-Y332 HydrophobicContact CG2-CE1 4.15Å; I317-V333 HydrophobicContact CD1-CG1 4.45Å; I317-V333 HydrophobicContact CG2-CG2 4.1Å; I317-A336 HydrophobicContact CD1-CB 3.73Å; I317-V337 HydrophobicContact CD1-CG2 4.16Å
318I87.7Confident85.6Confident13 Ų1362.8 Ų62.87%0.06736%0.357CS..Hα-helixtrans-61.8-45.8178-68.6167.1000110.4I314 V315 A321 F361 H364 F365 N368I314-I318 HydrophobicContact CG2-CD1 3.82Å; I314-I318 HydrophobicContact CG2-CG1 4.43Å; I314-I318 VanDerWaalsContact O-CG1 3.24Å; I314-I318 WeakPolarHBondContact O-CG1 3.43Å; I314-I318 PolarHBondContact O-N 2.72Å; V315-I318 PolarHBondContact O-N 3.24Å; I318-A321 PolarHBondContact O-N 2.87Å; I318-F361 HydrophobicContact CD1-CD2 3.92Å; I318-F361 HydrophobicContact CD1-CE2 4.26Å; I318-F361 HydrophobicContact CG1-CD2 4.08Å; I318-F361 HydrophobicContact CG1-CE2 4.03Å; I318-H364 HydrophobicContact CD1-CB 4.28Å; I318-F365 HydrophobicContact CD1-CB 4.39Å; I318-F365 HydrophobicContact CG1-CD2 4.32Å; I318-F365 HydrophobicContact CG2-CD2 4.3Å; I318-N368 WeakPolarHBondContact CG2-ND2 3.45Å
319N87.5Confident85.1Confident99 Ų9963.1 Ų63.153%0.52936%0.356SS..Hα-helixtrans-67.4-37.1-179.6-69.5-22.3000112.2V315 D316 A321 G322V315-N319 WeakPolarHBondContact CG1-ND2 3.39Å; V315-N319 WeakPolarHBondContact O-CB 3.49Å; V315-N319 PolarHBondContact O-N 2.88Å; V315-N319 PolarHBondContact O-ND2 3.16Å; D316-N319 PolarHBondContact O-N 2.5Å; N319-A321 VanDerWaalsContact C-N 3.32Å; N319-A321 PolarHBondContact O-N 2.75Å; N319-G322 PolarHBondContact O-N 2.68Å
320S86.4Confident84.8Confident106 Ų10662.1 Ų62.174%0.74135%0.348SS*.Hα-helixtrans-70.1-25.4-178.8-60.80000113.5D316 I317 G322D316-S320 VanDerWaalsContact O-CB 3.24Å; D316-S320 WeakPolarHBondContact O-CB 3.36Å; D316-S320 PolarHBondContact O-N 2.78Å; D316-S320 PolarHBondContact O-OG 3.19Å; I317-S320 PolarHBondContact O-N 3.11Å; S320-G322 VanDerWaalsContact C-N 3.26Å; S320-G322 PolarHBondContact O-N 3.36Å
321A82.6Confident84.5Confident14 Ų1466.8 Ų66.812%0.11637%0.373CS..Hα-helixtrans-72.8-20.217500000113.1I317 I318 N319 E323 D324 A325 F327 L328I317-A321 PolarHBondContact O-N 3.15Å; I318-A321 PolarHBondContact O-N 2.87Å; N319-A321 VanDerWaalsContact C-N 3.32Å; N319-A321 PolarHBondContact O-N 2.75Å; A321-E323 PolarHBondContact O-N 2.81Å; A321-D324 PolarHBondContact O-N 2.87Å; A321-A325 HydrophobicContact CB-CB 4.46Å; A321-F327 HydrophobicContact CB-CE1 4.06Å; A321-F327 HydrophobicContact CB-CZ 3.8Å; A321-L328 HydrophobicContact CB-CD1 3.25Å; A321-L328 HydrophobicContact CB-CD2 4.26Å; A321-L328 HydrophobicContact CB-CG 3.68Å
322G73.2Confident84.3Confident50 Ų5070.4 Ų70.452%0.51539%0.385SS..THydrogen-bonded Turntrans54.3-135.3178.900000112.7N319 S320 D324N319-G322 PolarHBondContact O-N 2.68Å; S320-G322 VanDerWaalsContact C-N 3.26Å; S320-G322 PolarHBondContact O-N 3.36Å; G322-D324 VanDerWaalsContact C-N 3.32Å
323E66.7Low84.2Confident204 Ų20466 Ų6695%0.95336%0.361SS*.THydrogen-bonded Turntrans-73.8-21.3179.5-65.2-178.1171.300113.2A321 A325A321-E323 PolarHBondContact O-N 2.81Å; E323-A325 PolarHBondContact O-N 3.03Å; E323-A325 VanDerWaalsContact O-N 3.15Å
324D68Low84.3Confident107 Ų10764.8 Ų64.857%0.57236%0.355SS*.  trans-90.544.3179.8-158.24.5000112A321 G322 N326 F327A321-D324 PolarHBondContact O-N 2.87Å; G322-D324 VanDerWaalsContact C-N 3.32Å; D324-N326 PolarHBondContact O-N 2.95Å; D324-F327 WeakPolarHBondContact O-CD1 3.4Å; D324-F327 WeakPolarHBondContact O-CE1 3.42Å
325A73.1Confident84.3Confident19 Ų1968.5 Ų68.516%0.15738%0.381CS..THydrogen-bonded Turntrans-73.512.7-179.900000113.9A321 E323 F327 L328 F365A321-A325 HydrophobicContact CB-CB 4.46Å; E323-A325 PolarHBondContact O-N 3.03Å; E323-A325 VanDerWaalsContact O-N 3.15Å; A325-F327 VanDerWaalsContact C-N 3.31Å; A325-F327 PolarHBondContact O-N 3Å; A325-L328 HydrophobicContact CB-CD1 4.13Å; A325-L328 PolarHBondContact O-N 3.2Å; A325-F365 HydrophobicContact CB-CE2 4.02Å; A325-F365 HydrophobicContact CB-CZ 4.15Å
326N71.8Confident84.3Confident140 Ų14066.9 Ų66.975%0.74937%0.374SS*.THydrogen-bonded Turntrans-70.3-27.5-176.7-72.5-35.9000112.9D324D324-N326 PolarHBondContact O-N 2.95Å
327F78.6Confident84.4Confident95 Ų9562.3 Ų62.342%0.41735%0.349SS..SBendtrans-83-17175.472.3-91.6000113A321 D324 A325 N329 Y332A321-F327 HydrophobicContact CB-CE1 4.06Å; A321-F327 HydrophobicContact CB-CZ 3.8Å; D324-F327 WeakPolarHBondContact O-CD1 3.4Å; D324-F327 WeakPolarHBondContact O-CE1 3.42Å; A325-F327 VanDerWaalsContact C-N 3.31Å; A325-F327 PolarHBondContact O-N 3Å; F327-N329 PolarHBondContact O-N 3.21Å; F327-N329 VanDerWaalsContact O-N 3.09Å; F327-Y332 HydrophobicContact CD2-CD2 4.48Å; F327-Y332 HydrophobicContact CD2-CE1 4.47Å; F327-Y332 HydrophobicContact CD2-CE2 4.41Å; F327-Y332 HydrophobicContact CE2-CD1 4.27Å; F327-Y332 AromaticContact CE2-CE1 3.85Å; F327-Y332 HydrophobicContact CE2-CE1 3.85Å; F327-Y332 HydrophobicContact CE2-CE2 4.29Å; F327-Y332 AromaticContact CE2-CZ 3.86Å
328L84.6Confident84.5Confident13 Ų1366.6 Ų66.67%0.06837%0.367CS..  trans-70.1109.2-178.7-76.6-178.9000110.2I317 A321 A325 Y332 V333 F361 F365I317-L328 HydrophobicContact CG2-CD2 3.73Å; A321-L328 HydrophobicContact CB-CD1 3.25Å; A321-L328 HydrophobicContact CB-CD2 4.26Å; A321-L328 HydrophobicContact CB-CG 3.68Å; A325-L328 HydrophobicContact CB-CD1 4.13Å; A325-L328 PolarHBondContact O-N 3.2Å; L328-Y332 HydrophobicContact CD2-CD1 3.71Å; L328-Y332 HydrophobicContact CD2-CE1 3.92Å; L328-V333 HydrophobicContact CD2-CG2 4.36Å; L328-F361 HydrophobicContact CB-CZ 4.49Å; L328-F365 HydrophobicContact CB-CE2 4.23Å; L328-F365 HydrophobicContact CB-CZ 4.44Å; L328-F365 HydrophobicContact CD1-CE2 4Å
329N87.6Confident84.8Confident80 Ų8070.3 Ų70.343%0.42839%0.394SS..  trans-128.3170168.665.637.7000110.1F327 D331 Y332 V333F327-N329 PolarHBondContact O-N 3.21Å; F327-N329 VanDerWaalsContact O-N 3.09Å; N329-D331 VanDerWaalsContact C-N 3.26Å; N329-D331 PolarHBondContact O-N 2.98Å; N329-D331 PolarHBondContact OD1-N 2.87Å; N329-Y332 PolarHBondContact O-N 2.78Å; N329-Y332 PolarHBondContact OD1-N 2.81Å; N329-V333 PolarHBondContact O-N 3.08Å; N329-V333 VanDerWaalsContact O-N 3.11Å
330V89.1Confident85Confident30 Ų3071.2 Ų71.218%0.18240%0.396CS..Hα-helixtrans-57.3-40.5-177.41780000111.5V333 A334 E358 F361V330-V333 PolarHBondContact O-N 3.28Å; V330-A334 VanDerWaalsContact O-CB 3.24Å; V330-A334 WeakPolarHBondContact O-CB 3.4Å; V330-A334 PolarHBondContact O-N 2.83Å; V330-E358 HydrophobicContact CG1-CB 3.74Å; V330-E358 HydrophobicContact CG1-CG 3.29Å; V330-E358 WeakPolarHBondContact CG1-OE1 3.46Å; V330-F361 HydrophobicContact CG2-CD1 3.73Å; V330-F361 HydrophobicContact CG2-CE1 3.87Å
331D90.4Very high85.1Confident98 Ų9872.7 Ų72.752%0.52440%0.396SS..Hα-helixtrans-67.4-38.4-179.1-68.4-50.6000112.6N329 S335 R354N329-D331 VanDerWaalsContact C-N 3.26Å; N329-D331 PolarHBondContact O-N 2.98Å; N329-D331 PolarHBondContact OD1-N 2.87Å; D331-S335 VanDerWaalsContact O-CB 3.23Å; D331-S335 WeakPolarHBondContact O-CB 3.17Å; D331-S335 PolarHBondContact O-N 2.82Å; D331-R354 IonicContact OD1-CZ 2.83Å; D331-R354 IonicContact OD1-NH2 2.84Å; D331-R354 PolarHBondContact OD1-NH2 2.98Å
332Y91.4Very high85.6Confident111 Ų11173.4 Ų73.444%0.43540%0.398SS..Hα-helixtrans-62.4-49.6174.3179.3-90.6000110.8I317 F327 L328 N329 A334 S335 A336I317-Y332 HydrophobicContact CG2-CD1 4.48Å; I317-Y332 HydrophobicContact CG2-CE1 4.15Å; F327-Y332 HydrophobicContact CD2-CD2 4.48Å; F327-Y332 HydrophobicContact CD2-CE1 4.47Å; F327-Y332 HydrophobicContact CD2-CE2 4.41Å; F327-Y332 HydrophobicContact CE2-CD1 4.27Å; F327-Y332 AromaticContact CE2-CE1 3.85Å; F327-Y332 HydrophobicContact CE2-CE1 3.85Å; F327-Y332 HydrophobicContact CE2-CE2 4.29Å; F327-Y332 AromaticContact CE2-CZ 3.86Å; L328-Y332 HydrophobicContact CD2-CD1 3.71Å; L328-Y332 HydrophobicContact CD2-CE1 3.92Å; N329-Y332 PolarHBondContact O-N 2.78Å; N329-Y332 PolarHBondContact OD1-N 2.81Å; Y332-A334 PolarHBondContact O-N 3.33Å; Y332-S335 PolarHBondContact O-N 3.4Å; Y332-A336 WeakPolarHBondContact O-CB 3.25Å; Y332-A336 PolarHBondContact O-N 2.89Å
333V92.4Very high86.6Confident1 Ų175.4 Ų75.41%0.00640%0.401CS..Hα-helixtrans-62.6-45.3179.3176.50000110.7I314 I317 L328 N329 V330 S335 A336 V337 V357 F361I314-V333 HydrophobicContact CG1-CG1 4Å; I314-V333 HydrophobicContact CG2-CG1 4.27Å; I317-V333 HydrophobicContact CD1-CG1 4.45Å; I317-V333 HydrophobicContact CG2-CG2 4.1Å; L328-V333 HydrophobicContact CD2-CG2 4.36Å; N329-V333 PolarHBondContact O-N 3.08Å; N329-V333 VanDerWaalsContact O-N 3.11Å; V330-V333 PolarHBondContact O-N 3.28Å; V333-S335 VanDerWaalsContact C-N 3.32Å; V333-S335 PolarHBondContact O-N 2.98Å; V333-A336 PolarHBondContact O-N 3.11Å; V333-V337 HydrophobicContact CG1-CG2 4.26Å; V333-V337 WeakPolarHBondContact O-CB 3.27Å; V333-V337 VanDerWaalsContact O-CG2 3.28Å; V333-V337 WeakPolarHBondContact O-CG2 3.13Å; V333-V337 PolarHBondContact O-N 3.39Å; V333-V357 HydrophobicContact CG1-CG1 4.15Å; V333-F361 HydrophobicContact CB-CD2 4.35Å; V333-F361 HydrophobicContact CG1-CB 4.5Å; V333-F361 HydrophobicContact CG1-CD2 4.29Å; V333-F361 HydrophobicContact CG2-CD2 3.67Å; V333-F361 HydrophobicContact CG2-CE2 3.62Å; V333-F361 HydrophobicContact CG2-CG 4.29Å; V333-F361 HydrophobicContact CG2-CZ 4.2Å
334A92.8Very high87.9Confident3 Ų368.5 Ų68.53%0.02537%0.371CS..Hα-helixtrans-60.5-41.7176.700000111.9V330 Y332 K338 F350V330-A334 VanDerWaalsContact O-CB 3.24Å; V330-A334 WeakPolarHBondContact O-CB 3.4Å; V330-A334 PolarHBondContact O-N 2.83Å; Y332-A334 PolarHBondContact O-N 3.33Å; A334-K338 WeakPolarHBondContact O-CB 3.49Å; A334-K338 PolarHBondContact O-N 3.18Å; A334-F350 HydrophobicContact CB-CE1 4.09Å; A334-F350 HydrophobicContact CB-CZ 3.84Å; A334-F350 VanDerWaalsContact O-CZ 3.29Å; A334-F350 WeakPolarHBondContact O-CZ 3.41Å
335S92.8Very high89.1Confident78 Ų7865.1 Ų65.155%0.54535%0.351SS..Hα-helixtrans-65-43.3176.2-171.80000112.2D331 Y332 V333 K338 S339D331-S335 VanDerWaalsContact O-CB 3.23Å; D331-S335 WeakPolarHBondContact O-CB 3.17Å; D331-S335 PolarHBondContact O-N 2.82Å; Y332-S335 PolarHBondContact O-N 3.4Å; V333-S335 VanDerWaalsContact C-N 3.32Å; V333-S335 PolarHBondContact O-N 2.98Å; S335-K338 PolarHBondContact O-N 3.19Å; S335-S339 PolarHBondContact O-N 3.22Å
336A92.5Very high90.2Very high19 Ų1964.3 Ų64.316%0.15734%0.344CS..Hα-helixtrans-64.7-44.4177.600000111.9I317 Y332 V333 S339 M340I317-A336 HydrophobicContact CD1-CB 3.73Å; Y332-A336 WeakPolarHBondContact O-CB 3.25Å; Y332-A336 PolarHBondContact O-N 2.89Å; V333-A336 PolarHBondContact O-N 3.11Å; A336-S339 PolarHBondContact O-N 3.41Å; A336-S339 PolarHBondContact O-OG 2.76Å; A336-M340 WeakPolarHBondContact O-CG 3.36Å
337V92.8Very high91.2Very high0 Ų059.5 Ų59.50%032%0.32CS..Hα-helixtrans-66.8-41.3177.2175.30000111.1L310 M313 I314 I317 V333 S339 M340 F350 V357L310-V337 HydrophobicContact CD2-CG1 3.3Å; M313-V337 HydrophobicContact CG-CG2 4.19Å; M313-V337 HydrophobicContact SD-CB 4.16Å; M313-V337 HydrophobicContact SD-CG1 4.14Å; M313-V337 HydrophobicContact SD-CG2 3.93Å; I314-V337 HydrophobicContact CG1-CG2 4.1Å; I317-V337 HydrophobicContact CD1-CG2 4.16Å; V333-V337 HydrophobicContact CG1-CG2 4.26Å; V333-V337 WeakPolarHBondContact O-CB 3.27Å; V333-V337 VanDerWaalsContact O-CG2 3.28Å; V333-V337 WeakPolarHBondContact O-CG2 3.13Å; V333-V337 PolarHBondContact O-N 3.39Å; V337-S339 VanDerWaalsContact C-N 3.3Å; V337-S339 PolarHBondContact O-N 3.43Å; V337-M340 PolarHBondContact O-N 3.33Å; V337-F350 HydrophobicContact CB-CE2 3.91Å; V337-F350 HydrophobicContact CG1-CD2 4.13Å; V337-F350 HydrophobicContact CG1-CE2 3.6Å; V337-V357 HydrophobicContact CG1-CG2 4.28Å; V337-V357 HydrophobicContact CG2-CG1 4.34Å
338K93.2Very high91.7Very high119 Ų11957.3 Ų57.352%0.51732%0.324SS..Hα-helixtrans-60.9-37.6177.5-176.1176.5-179.9176.40112.3A334 S335 M340 N341 F350A334-K338 WeakPolarHBondContact O-CB 3.49Å; A334-K338 PolarHBondContact O-N 3.18Å; S335-K338 PolarHBondContact O-N 3.19Å; K338-M340 VanDerWaalsContact C-N 3.25Å; K338-M340 PolarHBondContact O-N 3.07Å; K338-N341 PolarHBondContact O-N 3.11Å; K338-F350 HydrophobicContact CB-CB 4.38Å; K338-F350 HydrophobicContact CB-CD1 3.79Å; K338-F350 HydrophobicContact CB-CD2 4.1Å; K338-F350 HydrophobicContact CB-CE1 4.08Å; K338-F350 HydrophobicContact CB-CE2 4.37Å; K338-F350 HydrophobicContact CB-CG 3.8Å; K338-F350 HydrophobicContact CB-CZ 4.37Å; K338-F350 HydrophobicContact CD-CD1 3.88Å; K338-F350 HydrophobicContact CD-CE1 4.49Å; K338-F350 HydrophobicContact CD-CG 4.38Å; K338-F350 HydrophobicContact CG-CB 4.03Å; K338-F350 HydrophobicContact CG-CD1 3.91Å; K338-F350 HydrophobicContact CG-CG 3.93Å
339S92.8Very high92.2Very high90 Ų9058 Ų5863%0.62933%0.334SS*.Hα-helixtrans-69.8-21.3-177.673.90000113.7S335 A336 V337 N341S335-S339 PolarHBondContact O-N 3.22Å; A336-S339 PolarHBondContact O-N 3.41Å; A336-S339 PolarHBondContact O-OG 2.76Å; V337-S339 VanDerWaalsContact C-N 3.3Å; V337-S339 PolarHBondContact O-N 3.43Å; S339-N341 VanDerWaalsContact C-N 3.29Å; S339-N341 PolarHBondContact O-N 2.81Å
340M91.1Very high92.5Very high118 Ų11854.9 Ų54.958%0.58132%0.317SS*.THydrogen-bonded Turntrans-76.1-16-179.9-65.4-68.9-166.500113.8M313 A336 V337 K338 L342M313-M340 HydrophobicContact CE-CB 3.56Å; M313-M340 HydrophobicContact CE-CG 3.46Å; M313-M340 VanDerWaalsContact CE-CG 3.46Å; M313-M340 HydrophobicContact CE-SD 4.4Å; M313-M340 HydrophobicContact SD-CB 3.91Å; M313-M340 HydrophobicContact SD-CG 3.54Å; M313-M340 VanDerWaalsContact SD-CG 3.54Å; A336-M340 WeakPolarHBondContact O-CG 3.36Å; V337-M340 PolarHBondContact O-N 3.33Å; K338-M340 VanDerWaalsContact C-N 3.25Å; K338-M340 PolarHBondContact O-N 3.07Å; M340-L342 VanDerWaalsContact C-N 3.35Å; M340-L342 PolarHBondContact O-N 3.15Å
341N90.1Very high92.7Very high137 Ų13755.5 Ų55.573%0.73332%0.319SS*.  trans50.250.2175-164.943.9000113.7K338 S339K338-N341 PolarHBondContact O-N 3.11Å; S339-N341 VanDerWaalsContact C-N 3.29Å; S339-N341 PolarHBondContact O-N 2.81Å
342L92.8Very high92.8Very high30 Ų3051.3 Ų51.316%0.15730%0.297CS..  trans-55.2148.4177.8-63.7176.1000112L306 L310 M313 M340 Y345L306-L342 HydrophobicContact CD1-CB 4.03Å; L306-L342 HydrophobicContact CD1-CD1 4.16Å; L310-L342 HydrophobicContact CD2-CD1 3.73Å; L310-L342 HydrophobicContact CG-CD1 4.17Å; M313-L342 HydrophobicContact CE-CD1 4.13Å; M313-L342 HydrophobicContact CE-CD2 3.87Å; M313-L342 HydrophobicContact CE-CG 4.21Å; M340-L342 VanDerWaalsContact C-N 3.35Å; M340-L342 PolarHBondContact O-N 3.15Å; L342-Y345 HydrophobicContact CB-CE2 3.78Å; L342-Y345 WeakPolarHBondContact O-CD2 3.41Å; L342-Y345 WeakPolarHBondContact O-CE2 3.32Å
343P93.7Very high93Very high91 Ų9146.2 Ų46.259%0.59128%0.277SS*.SBendtrans-71.4176.2173.432.8-36.4000111.4Y345P343-Y345 PolarHBondContact O-N 3.2Å; P343-Y345 VanDerWaalsContact O-N 3.13Å
344N93.6Very high93.1Very high60 Ų6048.8 Ų48.832%0.32129%0.287SS..  trans65.69.4170.5-56.3-22.5000116.7K302 E305 L306K302-N344 HydrophobicContact CB-CB 4.32Å; E305-N344 PolarHBondContact OE2-ND2 2.92Å; L306-N344 HydrophobicContact CB-CB 4.23Å; L306-N344 WeakPolarHBondContact CD2-O 3.43Å
345Y94.9Very high93.2Very high36 Ų3649.3 Ų49.314%0.14129%0.291CS..PPolyproline II helixtrans-56141169.3-76.2-71.6000110.9L306 L310 L342 P343 F350 K353L306-Y345 HydrophobicContact CD1-CD1 4.29Å; L306-Y345 HydrophobicContact CD1-CE1 4.03Å; L306-Y345 HydrophobicContact CD2-CD1 3.83Å; L306-Y345 HydrophobicContact CD2-CE1 4.25Å; L306-Y345 HydrophobicContact CD2-CG 4.27Å; L310-Y345 HydrophobicContact CD2-CE1 4.4Å; L342-Y345 HydrophobicContact CB-CE2 3.78Å; L342-Y345 WeakPolarHBondContact O-CD2 3.41Å; L342-Y345 WeakPolarHBondContact O-CE2 3.32Å; P343-Y345 PolarHBondContact O-N 3.2Å; P343-Y345 VanDerWaalsContact O-N 3.13Å; Y345-F350 HydrophobicContact CE1-CB 4.3Å; Y345-F350 HydrophobicContact CE1-CD2 4.11Å; Y345-K353 HydrophobicContact CD1-CB 4.18Å; Y345-K353 HydrophobicContact CD1-CG 3.9Å; Y345-K353 HydrophobicContact CE1-CB 3.96Å; Y345-K353 HydrophobicContact CE1-CG 4.08Å
346P94.5Very high93.2Very high2 Ų248.9 Ų48.91%0.01328%0.278CS..PPolyproline II helixtrans-54.1156.3166.9-25.834.5000111.8Y251 G348 G349 T352Y251-P346 HydrophobicContact CD2-CB 4.04Å; Y251-P346 HydrophobicContact CE2-CB 3.72Å; P346-G348 PolarHBondContact O-N 3.21Å; P346-G348 VanDerWaalsContact O-N 3.13Å; P346-G349 PolarHBondContact O-N 2.68Å; P346-T352 HydrophobicContact CB-CG2 4.27Å; P346-T352 WeakPolarHBondContact CD-OG1 3.48Å
347P93.2Very high93.4Very high39 Ų3948 Ų4825%0.25327%0.271SS..THydrogen-bonded Turntrans-49.3122172.2-26.734.1000111.1T250 Y251 H254T250-P347 HydrophobicContact CG2-CB 3.87Å; T250-P347 HydrophobicContact CG2-CG 3.81Å; Y251-P347 VanDerWaalsContact CD2-O 3.24Å; Y251-P347 WeakPolarHBondContact CD2-O 3.26Å; H254-P347 HydrophobicContact CB-CG 3.9Å; H254-P347 VanDerWaalsContact CG-CD 3.42Å
348G90Very high93.4Very high49 Ų4949.9 Ų49.951%0.50528%0.279SS..THydrogen-bonded Turntrans111.1-9.4-170.100000114.6P346P346-G348 PolarHBondContact O-N 3.21Å; P346-G348 VanDerWaalsContact O-N 3.13Å
349G93.6Very high93.3Very high26 Ų2649 Ų4927%0.26828%0.28SS..G310 helixtrans72.2-155.3170.400000113.5P346 N351 T352P346-G349 PolarHBondContact O-N 2.68Å; G349-N351 PolarHBondContact O-N 3.14Å; G349-T352 WeakPolarHBondContact O-CB 3.39Å; G349-T352 PolarHBondContact O-N 3.38Å; G349-T352 PolarHBondContact O-OG1 3.07Å
350F94.4Very high93.4Very high16 Ų1646.1 Ų46.17%0.0726%0.256CS..G310 helixtrans-49.7-34.9-173.4174.6-98.3000114.8A334 V337 K338 Y345 T352 K353 R354 V357A334-F350 HydrophobicContact CB-CE1 4.09Å; A334-F350 HydrophobicContact CB-CZ 3.84Å; A334-F350 VanDerWaalsContact O-CZ 3.29Å; A334-F350 WeakPolarHBondContact O-CZ 3.41Å; V337-F350 HydrophobicContact CB-CE2 3.91Å; V337-F350 HydrophobicContact CG1-CD2 4.13Å; V337-F350 HydrophobicContact CG1-CE2 3.6Å; K338-F350 HydrophobicContact CB-CB 4.38Å; K338-F350 HydrophobicContact CB-CD1 3.79Å; K338-F350 HydrophobicContact CB-CD2 4.1Å; K338-F350 HydrophobicContact CB-CE1 4.08Å; K338-F350 HydrophobicContact CB-CE2 4.37Å; K338-F350 HydrophobicContact CB-CG 3.8Å; K338-F350 HydrophobicContact CB-CZ 4.37Å; K338-F350 HydrophobicContact CD-CD1 3.88Å; K338-F350 HydrophobicContact CD-CE1 4.49Å; K338-F350 HydrophobicContact CD-CG 4.38Å; K338-F350 HydrophobicContact CG-CB 4.03Å; K338-F350 HydrophobicContact CG-CD1 3.91Å; K338-F350 HydrophobicContact CG-CG 3.93Å; Y345-F350 HydrophobicContact CE1-CB 4.3Å; Y345-F350 HydrophobicContact CE1-CD2 4.11Å; F350-T352 PolarHBondContact O-N 2.82Å; F350-T352 VanDerWaalsContact O-N 3.11Å; F350-K353 CarbonylContact O-C 3.59Å; F350-K353 WeakPolarHBondContact O-CA 3.48Å; F350-K353 PolarHBondContact O-N 2.93Å; F350-R354 HydrophobicContact CE1-CB 4.02Å; F350-R354 HydrophobicContact CE1-CG 4.13Å; F350-R354 HydrophobicContact CZ-CB 4.41Å; F350-R354 HydrophobicContact CZ-CG 4.49Å; F350-R354 PolarHBondContact O-N 3Å; F350-V357 HydrophobicContact CE2-CG2 4Å; F350-V357 HydrophobicContact CZ-CG2 4.45Å
351N92.9Very high93.4Very high42 Ų4240.8 Ų40.823%0.22523%0.23CC..G310 helixtrans-58.4-29.4-178.1-71.3-13.9000112.8K276 G349 K353 R354K276-N351 HydrophobicContact CG-CB 4.11Å; G349-N351 PolarHBondContact O-N 3.14Å; N351-K353 VanDerWaalsContact C-N 3.25Å; N351-K353 PolarHBondContact O-N 3.2Å; N351-R354 PolarHBondContact O-N 3.22Å
352T94Very high93.4Very high10 Ų1036.8 Ų36.86%0.06121%0.209CC..G310 helixtrans-68.3-24.8176.2650000113Y251 T272 P346 G349 F350Y251-T352 HydrophobicContact CD2-CG2 3.99Å; Y251-T352 HydrophobicContact CE2-CG2 3.43Å; Y251-T352 VanDerWaalsContact CE2-CG2 3.43Å; T272-T352 HydrophobicContact CG2-CG2 4.13Å; P346-T352 HydrophobicContact CB-CG2 4.27Å; P346-T352 WeakPolarHBondContact CD-OG1 3.48Å; G349-T352 WeakPolarHBondContact O-CB 3.39Å; G349-T352 PolarHBondContact O-N 3.38Å; G349-T352 PolarHBondContact O-OG1 3.07Å; F350-T352 PolarHBondContact O-N 2.82Å; F350-T352 VanDerWaalsContact O-N 3.11Å
353K95.3Very high93.1Very high4 Ų439 Ų392%0.01722%0.223CC..G310 helixtrans-1071.6178.6-73.2-59.8-156.8169.30113.3E303 L306 D307 L310 Y345 F350 N351 A355 Y356 V357E303-K353 WeakPolarHBondContact OE1-CE 3.31Å; E303-K353 IonicContact OE1-NZ 2.93Å; E303-K353 PolarHBondContact OE1-NZ 2.97Å; L306-K353 HydrophobicContact CD2-CG 4Å; D307-K353 VanDerWaalsContact OD1-CE 3.23Å; D307-K353 WeakPolarHBondContact OD1-CE 3.5Å; D307-K353 IonicContact OD1-NZ 3.65Å; D307-K353 PolarHBondContact OD1-NZ 2.92Å; D307-K353 IonicContact OD2-NZ 3.74Å; D307-K353 PolarHBondContact OD2-NZ 3.17Å; L310-K353 HydrophobicContact CD1-CB 4.1Å; L310-K353 HydrophobicContact CD1-CD 4.38Å; L310-K353 HydrophobicContact CD1-CG 4.14Å; Y345-K353 HydrophobicContact CD1-CB 4.18Å; Y345-K353 HydrophobicContact CD1-CG 3.9Å; Y345-K353 HydrophobicContact CE1-CB 3.96Å; Y345-K353 HydrophobicContact CE1-CG 4.08Å; F350-K353 CarbonylContact O-C 3.59Å; F350-K353 WeakPolarHBondContact O-CA 3.48Å; F350-K353 PolarHBondContact O-N 2.93Å; N351-K353 VanDerWaalsContact C-N 3.25Å; N351-K353 PolarHBondContact O-N 3.2Å; K353-A355 PolarHBondContact O-N 3.07Å; K353-Y356 WeakPolarHBondContact O-CB 3.35Å; K353-Y356 PolarHBondContact O-N 2.9Å; K353-V357 WeakPolarHBondContact O-CG2 3.27Å; K353-V357 PolarHBondContact O-N 3.03Å
354R94.4Very high92.7Very high56 Ų5637.3 Ų37.321%0.21121%0.207CC..Hα-helixtrans-58.2-51.6-177.2-179.2165.7169149.69110.8H275 D331 F350 N351 Y356 V357 E358H275-R354 HydrophobicContact CB-CB 4.13Å; H275-R354 HydrophobicContact CB-CG 4.3Å; H275-R354 WeakPolarHBondContact CD2-CD 3.48Å; H275-R354 VanDerWaalsContact CD2-CG 3.4Å; H275-R354 WeakPolarHBondContact CD2-CG 3.1Å; H275-R354 PolarHBondContact CD2-NE 3.43Å; D331-R354 IonicContact OD1-CZ 2.83Å; D331-R354 IonicContact OD1-NH2 2.84Å; D331-R354 PolarHBondContact OD1-NH2 2.98Å; F350-R354 HydrophobicContact CE1-CB 4.02Å; F350-R354 HydrophobicContact CE1-CG 4.13Å; F350-R354 HydrophobicContact CZ-CB 4.41Å; F350-R354 HydrophobicContact CZ-CG 4.49Å; F350-R354 PolarHBondContact O-N 3Å; N351-R354 PolarHBondContact O-N 3.22Å; R354-Y356 VanDerWaalsContact C-N 3.27Å; R354-Y356 PolarHBondContact O-N 3.32Å; R354-V357 WeakPolarHBondContact O-CA 3.47Å; R354-V357 WeakPolarHBondContact O-CB 3.45Å; R354-V357 PolarHBondContact O-N 2.8Å; R354-E358 HydrophobicContact CG-CG 4.11Å; R354-E358 IonicContact CZ-OE1 2.81Å; R354-E358 IonicContact NE-OE1 3.98Å; R354-E358 PolarHBondContact NE-OE1 3.32Å; R354-E358 IonicContact NH2-OE1 3.1Å; R354-E358 PolarHBondContact NH2-OE1 2.81Å; R354-E358 VanDerWaalsContact O-CG 3.28Å; R354-E358 WeakPolarHBondContact O-CG 3.06Å; R354-E358 PolarHBondContact O-N 2.94Å
355A94Very high92.1Very high13 Ų1335.8 Ų35.811%0.10720%0.198CC..Hα-helixtrans-56.6-39.6178.100000113.3D271 K353 E358 N359D271-A355 HydrophobicContact CB-CB 3.7Å; K353-A355 PolarHBondContact O-N 3.07Å; A355-E358 PolarHBondContact O-N 3.49Å; A355-N359 WeakPolarHBondContact O-CB 3.43Å; A355-N359 VanDerWaalsContact O-CG 3.23Å; A355-N359 PolarHBondContact O-N 3.2Å; A355-N359 PolarHBondContact O-ND2 3.49Å
356Y94.2Very high91Very high70 Ų7042.5 Ų42.528%0.27522%0.223SC..Hα-helixtrans-60-47.7174.4177.2-87000111.3D307 L310 N311 K353 R354 N359 F360D307-Y356 HydrophobicContact CB-CE1 4.37Å; L310-Y356 HydrophobicContact CB-CE1 4.24Å; L310-Y356 HydrophobicContact CD1-CD1 3.99Å; L310-Y356 HydrophobicContact CD1-CE1 4.2Å; N311-Y356 VanDerWaalsContact CG-OH 3.23Å; N311-Y356 PolarHBondContact ND2-OH 3.42Å; N311-Y356 VanDerWaalsContact OD1-CE1 3.27Å; N311-Y356 WeakPolarHBondContact OD1-CE1 3.24Å; N311-Y356 PolarHBondContact OD1-OH 2.91Å; K353-Y356 WeakPolarHBondContact O-CB 3.35Å; K353-Y356 PolarHBondContact O-N 2.9Å; R354-Y356 VanDerWaalsContact C-N 3.27Å; R354-Y356 PolarHBondContact O-N 3.32Å; Y356-N359 PolarHBondContact O-N 2.91Å; Y356-F360 WeakPolarHBondContact O-CB 3.34Å; Y356-F360 PolarHBondContact O-N 2.75Å
357V95.2Very high89.6Confident1 Ų147 Ų471%0.00624%0.244CC..Hα-helixtrans-60.9-45.1176.6170.60000111.6L310 I314 V333 V337 F350 K353 R354 F360 F361L310-V357 HydrophobicContact CD1-CG2 4.39Å; L310-V357 HydrophobicContact CD2-CG2 4.03Å; I314-V357 HydrophobicContact CD1-CB 4.23Å; I314-V357 HydrophobicContact CD1-CG1 3.87Å; I314-V357 HydrophobicContact CD1-CG2 4.24Å; I314-V357 HydrophobicContact CG1-CG1 4.31Å; V333-V357 HydrophobicContact CG1-CG1 4.15Å; V337-V357 HydrophobicContact CG1-CG2 4.28Å; V337-V357 HydrophobicContact CG2-CG1 4.34Å; F350-V357 HydrophobicContact CE2-CG2 4Å; F350-V357 HydrophobicContact CZ-CG2 4.45Å; K353-V357 WeakPolarHBondContact O-CG2 3.27Å; K353-V357 PolarHBondContact O-N 3.03Å; R354-V357 WeakPolarHBondContact O-CA 3.47Å; R354-V357 WeakPolarHBondContact O-CB 3.45Å; R354-V357 PolarHBondContact O-N 2.8Å; V357-F360 PolarHBondContact O-N 2.69Å; V357-F361 VanDerWaalsContact O-CB 3.28Å; V357-F361 WeakPolarHBondContact O-CB 3.38Å; V357-F361 PolarHBondContact O-N 3.12Å
358E93.3Very high88.3Confident38 Ų3848.7 Ų48.718%0.17825%0.251CS..Hα-helixtrans-63-45178.7-54.1-160.1166.200111.4H275 V330 R354 A355 N362H275-E358 IonicContact CD2-OE1 3.02Å; H275-E358 IonicContact NE2-OE1 2.74Å; H275-E358 PolarHBondContact NE2-OE1 3.27Å; H275-E358 IonicContact NE2-OE2 3.86Å; H275-E358 PolarHBondContact NE2-OE2 3.25Å; V330-E358 HydrophobicContact CG1-CB 3.74Å; V330-E358 HydrophobicContact CG1-CG 3.29Å; V330-E358 WeakPolarHBondContact CG1-OE1 3.46Å; R354-E358 HydrophobicContact CG-CG 4.11Å; R354-E358 IonicContact CZ-OE1 2.81Å; R354-E358 IonicContact NE-OE1 3.98Å; R354-E358 PolarHBondContact NE-OE1 3.32Å; R354-E358 IonicContact NH2-OE1 3.1Å; R354-E358 PolarHBondContact NH2-OE1 2.81Å; R354-E358 VanDerWaalsContact O-CG 3.28Å; R354-E358 WeakPolarHBondContact O-CG 3.06Å; R354-E358 PolarHBondContact O-N 2.94Å; A355-E358 PolarHBondContact O-N 3.49Å; E358-N362 VanDerWaalsContact O-CB 3.28Å; E358-N362 WeakPolarHBondContact O-CB 3.28Å; E358-N362 PolarHBondContact O-N 3.22Å; E358-N362 PolarHBondContact O-ND2 3.22Å
359N92.4Very high87Confident100 Ų10051.9 Ų51.954%0.53525%0.251SS..Hα-helixtrans-65.4-43.9179.1-74.4-24.5000112.2A355 Y356 N362 T363A355-N359 WeakPolarHBondContact O-CB 3.43Å; A355-N359 VanDerWaalsContact O-CG 3.23Å; A355-N359 PolarHBondContact O-N 3.2Å; A355-N359 PolarHBondContact O-ND2 3.49Å; Y356-N359 PolarHBondContact O-N 2.91Å; N359-N362 PolarHBondContact O-N 3.24Å; N359-T363 WeakPolarHBondContact O-CB 3.38Å; N359-T363 PolarHBondContact O-N 3.04Å; N359-T363 PolarHBondContact O-OG1 3.1Å
360F93.2Very high85.4Confident30 Ų3055.2 Ų55.213%0.13227%0.266CS..Hα-helixtrans-63.9-47.6177.8-172.9-87.8000111N311 I314 V315 Y356 V357 T363 H364N311-F360 HydrophobicContact CB-CD2 4.45Å; N311-F360 HydrophobicContact CB-CE1 4Å; N311-F360 HydrophobicContact CB-CE2 3.72Å; N311-F360 HydrophobicContact CB-CZ 3.47Å; N311-F360 VanDerWaalsContact CB-CZ 3.47Å; N311-F360 WeakPolarHBondContact OD1-CD2 3.31Å; N311-F360 WeakPolarHBondContact OD1-CE2 3.36Å; I314-F360 HydrophobicContact CB-CD1 3.91Å; I314-F360 HydrophobicContact CB-CE1 4.07Å; I314-F360 HydrophobicContact CD1-CB 4.13Å; I314-F360 HydrophobicContact CD1-CD1 3.6Å; I314-F360 HydrophobicContact CD1-CE1 4.41Å; I314-F360 HydrophobicContact CD1-CG 4.18Å; I314-F360 HydrophobicContact CG1-CD1 4.38Å; I314-F360 HydrophobicContact CG2-CD1 3.8Å; I314-F360 HydrophobicContact CG2-CE1 4.13Å; V315-F360 HydrophobicContact CG2-CE1 4.12Å; V315-F360 HydrophobicContact CG2-CZ 4.34Å; Y356-F360 WeakPolarHBondContact O-CB 3.34Å; Y356-F360 PolarHBondContact O-N 2.75Å; V357-F360 PolarHBondContact O-N 2.69Å; F360-T363 PolarHBondContact O-N 2.83Å; F360-H364 AromaticContact CD1-ND1 3.62Å; F360-H364 AromaticContact CD2-CE1 3.42Å; F360-H364 VanDerWaalsContact CD2-CE1 3.42Å; F360-H364 WeakPolarHBondContact CD2-CE1 3.34Å; F360-H364 AromaticContact CD2-ND1 3.66Å; F360-H364 AromaticContact CE1-CE1 3.73Å; F360-H364 AromaticContact CE1-CG 3.82Å; F360-H364 AromaticContact CE1-ND1 3.5Å; F360-H364 WeakPolarHBondContact CE1-ND1 3.41Å; F360-H364 AromaticContact CE2-CE1 2.99Å; F360-H364 WeakPolarHBondContact CE2-CE1 3.43Å; F360-H364 AromaticContact CE2-ND1 3.55Å; F360-H364 AromaticContact CE2-NE2 3.61Å; F360-H364 AromaticContact CG-CE1 3.95Å; F360-H364 AromaticContact CG-ND1 3.7Å; F360-H364 AromaticContact CZ-CD2 3.89Å; F360-H364 AromaticContact CZ-CE1 3.15Å; F360-H364 WeakPolarHBondContact CZ-CE1 3.46Å; F360-H364 AromaticContact CZ-CG 3.92Å; F360-H364 AromaticContact CZ-ND1 3.46Å; F360-H364 WeakPolarHBondContact CZ-ND1 3.26Å; F360-H364 AromaticContact CZ-NE2 3.43Å; F360-H364 WeakPolarHBondContact CZ-NE2 3.41Å; F360-H364 PolarHBondContact O-N 3.31Å; F360-H364 PolarHBondContact O-ND1 2.9Å
361F92.6Very high83.5Confident6 Ų660.8 Ų60.83%0.02629%0.29CS..Hα-helixtrans-58.3-50.5175.6171.6-102.7000111.6I314 I318 L328 V330 V333 V357 T363 H364 F365I314-F361 HydrophobicContact CG2-CB 4.05Å; I314-F361 HydrophobicContact CG2-CD2 4.18Å; I318-F361 HydrophobicContact CD1-CD2 3.92Å; I318-F361 HydrophobicContact CD1-CE2 4.26Å; I318-F361 HydrophobicContact CG1-CD2 4.08Å; I318-F361 HydrophobicContact CG1-CE2 4.03Å; L328-F361 HydrophobicContact CB-CZ 4.49Å; V330-F361 HydrophobicContact CG2-CD1 3.73Å; V330-F361 HydrophobicContact CG2-CE1 3.87Å; V333-F361 HydrophobicContact CB-CD2 4.35Å; V333-F361 HydrophobicContact CG1-CB 4.5Å; V333-F361 HydrophobicContact CG1-CD2 4.29Å; V333-F361 HydrophobicContact CG2-CD2 3.67Å; V333-F361 HydrophobicContact CG2-CE2 3.62Å; V333-F361 HydrophobicContact CG2-CG 4.29Å; V333-F361 HydrophobicContact CG2-CZ 4.2Å; V357-F361 VanDerWaalsContact O-CB 3.28Å; V357-F361 WeakPolarHBondContact O-CB 3.38Å; V357-F361 PolarHBondContact O-N 3.12Å; F361-T363 VanDerWaalsContact C-N 3.26Å; F361-T363 PolarHBondContact O-N 3.45Å; F361-H364 PolarHBondContact O-N 3.36Å; F361-F365 HydrophobicContact CD2-CB 4.2Å; F361-F365 HydrophobicContact CE1-CB 4.44Å; F361-F365 HydrophobicContact CE1-CG 4.47Å; F361-F365 HydrophobicContact CE2-CB 3.91Å; F361-F365 AromaticContact CE2-CD2 3.83Å; F361-F365 HydrophobicContact CE2-CD2 3.83Å; F361-F365 AromaticContact CE2-CG 3.91Å; F361-F365 HydrophobicContact CE2-CG 3.91Å; F361-F365 HydrophobicContact CZ-CB 4.05Å; F361-F365 HydrophobicContact CZ-CD1 4.12Å; F361-F365 AromaticContact CZ-CD2 3.99Å; F361-F365 HydrophobicContact CZ-CD2 3.99Å; F361-F365 HydrophobicContact CZ-CE2 4.45Å; F361-F365 AromaticContact CZ-CG 3.8Å; F361-F365 HydrophobicContact CZ-CG 3.8Å; F361-F365 WeakPolarHBondContact O-CB 3.43Å; F361-F365 PolarHBondContact O-N 3.22Å
362N88.9Confident81.8Confident54 Ų5461.2 Ų61.229%0.28930%0.299SS..Hα-helixtrans-60.9-36.6-178.7-76.8-37.3000112.4E358 N359 R366E358-N362 VanDerWaalsContact O-CB 3.28Å; E358-N362 WeakPolarHBondContact O-CB 3.28Å; E358-N362 PolarHBondContact O-N 3.22Å; E358-N362 PolarHBondContact O-ND2 3.22Å; N359-N362 PolarHBondContact O-N 3.24Å; N362-R366 VanDerWaalsContact O-CB 3.28Å; N362-R366 WeakPolarHBondContact O-CB 3.37Å; N362-R366 WeakPolarHBondContact O-CD 3.37Å; N362-R366 WeakPolarHBondContact O-CG 3.5Å; N362-R366 PolarHBondContact O-N 3.35Å
363T87.6Confident80.1Confident75 Ų7567.3 Ų67.346%0.4633%0.325SS..Hα-helixtrans-70.3-50178.4-55.90000111.4N359 F360 F361 Q367N359-T363 WeakPolarHBondContact O-CB 3.38Å; N359-T363 PolarHBondContact O-N 3.04Å; N359-T363 PolarHBondContact O-OG1 3.1Å; F360-T363 PolarHBondContact O-N 2.83Å; F361-T363 VanDerWaalsContact C-N 3.26Å; F361-T363 PolarHBondContact O-N 3.45Å; T363-Q367 WeakPolarHBondContact O-CG 3.37Å; T363-Q367 PolarHBondContact O-N 3.33Å
364H85.1Confident78.3Confident57 Ų5771 Ų7126%0.26435%0.348SS..Hα-helixtrans-74.6-39-176-70.877000112.8I318 F360 F361 R366 Q367 N368I318-H364 HydrophobicContact CD1-CB 4.28Å; F360-H364 AromaticContact CD1-ND1 3.62Å; F360-H364 AromaticContact CD2-CE1 3.42Å; F360-H364 VanDerWaalsContact CD2-CE1 3.42Å; F360-H364 WeakPolarHBondContact CD2-CE1 3.34Å; F360-H364 AromaticContact CD2-ND1 3.66Å; F360-H364 AromaticContact CE1-CE1 3.73Å; F360-H364 AromaticContact CE1-CG 3.82Å; F360-H364 AromaticContact CE1-ND1 3.5Å; F360-H364 WeakPolarHBondContact CE1-ND1 3.41Å; F360-H364 AromaticContact CE2-CE1 2.99Å; F360-H364 WeakPolarHBondContact CE2-CE1 3.43Å; F360-H364 AromaticContact CE2-ND1 3.55Å; F360-H364 AromaticContact CE2-NE2 3.61Å; F360-H364 AromaticContact CG-CE1 3.95Å; F360-H364 AromaticContact CG-ND1 3.7Å; F360-H364 AromaticContact CZ-CD2 3.89Å; F360-H364 AromaticContact CZ-CE1 3.15Å; F360-H364 WeakPolarHBondContact CZ-CE1 3.46Å; F360-H364 AromaticContact CZ-CG 3.92Å; F360-H364 AromaticContact CZ-ND1 3.46Å; F360-H364 WeakPolarHBondContact CZ-ND1 3.26Å; F360-H364 AromaticContact CZ-NE2 3.43Å; F360-H364 WeakPolarHBondContact CZ-NE2 3.41Å; F360-H364 PolarHBondContact O-N 3.31Å; F360-H364 PolarHBondContact O-ND1 2.9Å; F361-H364 PolarHBondContact O-N 3.36Å; H364-R366 PolarHBondContact O-N 3.2Å; H364-Q367 PolarHBondContact O-N 2.73Å; H364-N368 PolarHBondContact O-N 2.86Å
365F80.6Confident76.4Confident27 Ų2774.7 Ų74.712%0.11837%0.367CS..Hα-helixtrans-66.4-38.6178.3-170.3-104.8000112I318 A325 L328 F361 N368 K369I318-F365 HydrophobicContact CD1-CB 4.39Å; I318-F365 HydrophobicContact CG1-CD2 4.32Å; I318-F365 HydrophobicContact CG2-CD2 4.3Å; A325-F365 HydrophobicContact CB-CE2 4.02Å; A325-F365 HydrophobicContact CB-CZ 4.15Å; L328-F365 HydrophobicContact CB-CE2 4.23Å; L328-F365 HydrophobicContact CB-CZ 4.44Å; L328-F365 HydrophobicContact CD1-CE2 4Å; F361-F365 HydrophobicContact CD2-CB 4.2Å; F361-F365 HydrophobicContact CE1-CB 4.44Å; F361-F365 HydrophobicContact CE1-CG 4.47Å; F361-F365 HydrophobicContact CE2-CB 3.91Å; F361-F365 AromaticContact CE2-CD2 3.83Å; F361-F365 HydrophobicContact CE2-CD2 3.83Å; F361-F365 AromaticContact CE2-CG 3.91Å; F361-F365 HydrophobicContact CE2-CG 3.91Å; F361-F365 HydrophobicContact CZ-CB 4.05Å; F361-F365 HydrophobicContact CZ-CD1 4.12Å; F361-F365 AromaticContact CZ-CD2 3.99Å; F361-F365 HydrophobicContact CZ-CD2 3.99Å; F361-F365 HydrophobicContact CZ-CE2 4.45Å; F361-F365 AromaticContact CZ-CG 3.8Å; F361-F365 HydrophobicContact CZ-CG 3.8Å; F361-F365 WeakPolarHBondContact O-CB 3.43Å; F361-F365 PolarHBondContact O-N 3.22Å; F365-N368 PolarHBondContact O-N 3.19Å; F365-K369 HydrophobicContact CD1-CD 4.42Å; F365-K369 HydrophobicContact CE1-CD 3.85Å; F365-K369 HydrophobicContact CE1-CG 4.37Å; F365-K369 HydrophobicContact CZ-CD 4.33Å; F365-K369 PolarHBondContact O-N 3.32Å; F365-K369 VanDerWaalsContact O-N 3.09Å
366R71.4Confident74.7Confident178 Ų17879.7 Ų79.767%0.67239%0.392SS*.Hα-helixtrans-63.8-42.3173.8-77.1177.6-175.2-175.93.5111.7N362 H364 K369 V370N362-R366 VanDerWaalsContact O-CB 3.28Å; N362-R366 WeakPolarHBondContact O-CB 3.37Å; N362-R366 WeakPolarHBondContact O-CD 3.37Å; N362-R366 WeakPolarHBondContact O-CG 3.5Å; N362-R366 PolarHBondContact O-N 3.35Å; H364-R366 PolarHBondContact O-N 3.2Å; R366-K369 PolarHBondContact O-N 3.28Å; R366-V370 WeakPolarHBondContact O-CG2 3.47Å; R366-V370 PolarHBondContact O-N 3.44Å; R366-V370 VanDerWaalsContact O-N 3.09Å
367Q65.8Low73.1Confident96 Ų9681.1 Ų81.145%0.44940%0.404SS..Hα-helixtrans-59.3-49.3175.7-72.7174-1.400110.9T363 H364 K369 V370 F371T363-Q367 WeakPolarHBondContact O-CG 3.37Å; T363-Q367 PolarHBondContact O-N 3.33Å; H364-Q367 PolarHBondContact O-N 2.73Å; Q367-K369 PolarHBondContact O-N 3.31Å; Q367-V370 PolarHBondContact O-N 2.77Å; Q367-V370 VanDerWaalsContact O-N 3.15Å; Q367-F371 HydrophobicContact CB-CD2 4.47Å; Q367-F371 HydrophobicContact CB-CE2 4.4Å; Q367-F371 WeakPolarHBondContact O-CD2 3.43Å; Q367-F371 PolarHBondContact O-N 2.85Å
368N64.2Low71.5Confident74 Ų7485 Ų8540%0.39644%0.436SS..Hα-helixtrans-60.9-38.9179.6-76.1-12.4000113.5I318 H364 F365 F371 A372I318-N368 WeakPolarHBondContact CG2-ND2 3.45Å; H364-N368 PolarHBondContact O-N 2.86Å; F365-N368 PolarHBondContact O-N 3.19Å; N368-F371 PolarHBondContact O-N 3.07Å; N368-A372 WeakPolarHBondContact O-CB 3.37Å; N368-A372 PolarHBondContact O-N 2.86Å
369K64.3Low69.8Low116 Ų11691.1 Ų91.150%0.50447%0.465SS..Hα-helixtrans-66.7-38.1175-82.4-167.3170.9-177.70113.1F365 R366 Q367 K373F365-K369 HydrophobicContact CD1-CD 4.42Å; F365-K369 HydrophobicContact CE1-CD 3.85Å; F365-K369 HydrophobicContact CE1-CG 4.37Å; F365-K369 HydrophobicContact CZ-CD 4.33Å; F365-K369 PolarHBondContact O-N 3.32Å; F365-K369 VanDerWaalsContact O-N 3.09Å; R366-K369 PolarHBondContact O-N 3.28Å; Q367-K369 PolarHBondContact O-N 3.31Å; K369-K373 WeakPolarHBondContact O-CB 3.41Å; K369-K373 PolarHBondContact O-N 3.49Å; K369-K373 VanDerWaalsContact O-N 3.09Å
370V59.8Low68Low97 Ų9793.1 Ų93.159%0.58849%0.487SS*.Hα-helixtrans-64.6-46.3175.61740000109.9R366 Q367 A372 K373 T374R366-V370 WeakPolarHBondContact O-CG2 3.47Å; R366-V370 PolarHBondContact O-N 3.44Å; R366-V370 VanDerWaalsContact O-N 3.09Å; Q367-V370 PolarHBondContact O-N 2.77Å; Q367-V370 VanDerWaalsContact O-N 3.15Å; V370-A372 PolarHBondContact O-N 3.45Å; V370-K373 PolarHBondContact O-N 3.38Å; V370-T374 PolarHBondContact O-N 2.88Å; V370-T374 PolarHBondContact O-OG1 3.38Å
371F55.1Low66.7Low133 Ų13396.3 Ų96.358%0.58351%0.505SS*.Hα-helixtrans-60-46.2177.2-79.6-69.2000112.8Q367 N368 K373 T374 Q375Q367-F371 HydrophobicContact CB-CD2 4.47Å; Q367-F371 HydrophobicContact CB-CE2 4.4Å; Q367-F371 WeakPolarHBondContact O-CD2 3.43Å; Q367-F371 PolarHBondContact O-N 2.85Å; N368-F371 PolarHBondContact O-N 3.07Å; F371-K373 VanDerWaalsContact C-N 3.33Å; F371-K373 PolarHBondContact O-N 3.42Å; F371-T374 WeakPolarHBondContact CA-OG1 3.3Å; F371-T374 PolarHBondContact O-N 3.17Å; F371-T374 PolarHBondContact O-OG1 3.16Å; F371-Q375 PolarHBondContact O-N 3.33Å; F371-Q375 VanDerWaalsContact O-N 3.11Å
372A57.4Low65.4Low50 Ų50101.1 Ų101.141%0.41353%0.53SS..Hα-helixtrans-61.7-39.717800000112.4N368 V370 Q375 L376N368-A372 WeakPolarHBondContact O-CB 3.37Å; N368-A372 PolarHBondContact O-N 2.86Å; V370-A372 PolarHBondContact O-N 3.45Å; A372-Q375 PolarHBondContact O-N 2.98Å; A372-L376 PolarHBondContact O-N 3.01Å
373K58.3Low64Low139 Ų139103.7 Ų103.760%0.60454%0.543SS*.Hα-helixtrans-66.8-43177.5-166.9174.2179.7-178.80112.1K369 V370 F371 Q375 L376 D377K369-K373 WeakPolarHBondContact O-CB 3.41Å; K369-K373 PolarHBondContact O-N 3.49Å; K369-K373 VanDerWaalsContact O-N 3.09Å; V370-K373 PolarHBondContact O-N 3.38Å; F371-K373 VanDerWaalsContact C-N 3.33Å; F371-K373 PolarHBondContact O-N 3.42Å; K373-Q375 VanDerWaalsContact C-N 3.3Å; K373-Q375 PolarHBondContact O-N 3.4Å; K373-L376 PolarHBondContact O-N 2.9Å; K373-D377 VanDerWaalsContact O-CG 3.29Å; K373-D377 PolarHBondContact O-N 3.26Å
374T57.6Low62.7Low80 Ų80105.4 Ų105.449%0.49155%0.548SS..Hα-helixtrans-64-30.1175.231.30000114V370 F371 A378V370-T374 PolarHBondContact O-N 2.88Å; V370-T374 PolarHBondContact O-OG1 3.38Å; F371-T374 WeakPolarHBondContact CA-OG1 3.3Å; F371-T374 PolarHBondContact O-N 3.17Å; F371-T374 PolarHBondContact O-OG1 3.16Å; T374-A378 WeakPolarHBondContact O-CB 3.44Å; T374-A378 PolarHBondContact O-N 3.37Å
375Q54.5Low61.3Low134 Ų134108.4 Ų108.463%0.62657%0.566SS**Hα-helixtrans-74.3-38.5176-75.5-173.1-7.100112.4F371 A372 K373 A378 Q379F371-Q375 PolarHBondContact O-N 3.33Å; F371-Q375 VanDerWaalsContact O-N 3.11Å; A372-Q375 PolarHBondContact O-N 2.98Å; K373-Q375 VanDerWaalsContact C-N 3.3Å; K373-Q375 PolarHBondContact O-N 3.4Å; Q375-A378 PolarHBondContact O-N 2.87Å; Q375-Q379 WeakPolarHBondContact O-CG 3.22Å; Q375-Q379 PolarHBondContact O-N 2.78Å
376L56.9Low60Low119 Ų119113.8 Ų113.862%0.62360%0.596SS**Hα-helixtrans-65.3-44.4174.7-74.4161.8000111.4A372 K373 A378 Q379 S380A372-L376 PolarHBondContact O-N 3.01Å; K373-L376 PolarHBondContact O-N 2.9Å; L376-A378 PolarHBondContact O-N 2.89Å; L376-Q379 PolarHBondContact O-N 2.68Å; L376-Q379 VanDerWaalsContact O-N 3.12Å; L376-S380 PolarHBondContact O-N 3.28Å
377D61.1Low59.1Low99 Ų99109.2 Ų109.253%0.52959%0.591SS.*Hα-helixtrans-67.1-22177.8-67-19.1000112.6K373 S380K373-D377 VanDerWaalsContact O-CG 3.29Å; K373-D377 PolarHBondContact O-N 3.26Å; D377-S380 PolarHBondContact O-OG 3.23Å
378A62.1Low58.6Low83 Ų83110.2 Ų110.269%0.68660%0.602SS**THydrogen-bonded Turntrans-86.5-10.7175.300000113.7T374 Q375 L376T374-A378 WeakPolarHBondContact O-CB 3.44Å; T374-A378 PolarHBondContact O-N 3.37Å; Q375-A378 PolarHBondContact O-N 2.87Å; L376-A378 PolarHBondContact O-N 2.89Å
379Q57.5Low58.2Low166 Ų166113.3 Ų113.378%0.77662%0.619SS**THydrogen-bonded Turntrans-106.3-11178.8-71.5-178.20.300113.4Q375 L376Q375-Q379 WeakPolarHBondContact O-CG 3.22Å; Q375-Q379 PolarHBondContact O-N 2.78Å; L376-Q379 PolarHBondContact O-N 2.68Å; L376-Q379 VanDerWaalsContact O-N 3.12Å
380S53.6Low57.6Low143 Ų143113 Ų113100%163%0.629SS**  trans-89.40166.963.90000111.6L376 D377L376-S380 PolarHBondContact O-N 3.28Å; D377-S380 PolarHBondContact O-OG 3.23Å

Retrieved 380 of 380 residues in 958.1 ms (Link to these results)

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