G4M178_SCHMA Loading...

Ribonuclease p-related

AlphaFold DB , UniProt , Accession G4M178, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 328 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
1M44.5Very low83.4Confident155 Ų15549.3 Ų49.376%0.76426%0.257SS*.  072.10-73.1-137.9-97.300108F267M1-F267 HydrophobicContact CE-CE2 3.56Å; M1-F267 HydrophobicContact CE-CZ 3.57Å
2E48.6Very low84.4Confident202 Ų20250.9 Ų50.994%0.94426%0.261SS*.THydrogen-bonded Turntrans-74.3126.6-174.5-72173.7157.600110.7
3G67.3Low85.1Confident46 Ų4661.8 Ų61.847%0.47431%0.31SS..THydrogen-bonded Turntrans92.214.7158.800000119.3Y5G3-Y5 PolarHBondContact O-N 3.46Å
4K83.8Confident85.8Confident41 Ų4158.9 Ų58.918%0.17830%0.301CS..  trans-85109.9173.7-66.2178.1176.6-1680110.6F6 Y30 T263 L289K4-F6 HydrophobicContact CB-CE2 3.98Å; K4-F6 HydrophobicContact CB-CZ 4.43Å; K4-F6 WeakPolarHBondContact O-CD2 3.46Å; K4-F6 WeakPolarHBondContact O-CE2 3.42Å; K4-Y30 HydrophobicContact CB-CD2 4.11Å; K4-Y30 HydrophobicContact CB-CE2 3.84Å; K4-Y30 HydrophobicContact CD-CE1 4.41Å; K4-Y30 HydrophobicContact CD-CE2 3.59Å; K4-Y30 WeakPolarHBondContact CD-OH 3.27Å; K4-Y30 WeakPolarHBondContact CE-OH 3.47Å; K4-Y30 HydrophobicContact CG-CD2 4.44Å; K4-Y30 HydrophobicContact CG-CE2 3.67Å; K4-Y30 PolarHBondContact NZ-OH 2.93Å; K4-T263 WeakPolarHBondContact O-CG2 3.38Å; K4-L289 PolarHBondContact NZ-O 2.95Å; K4-L289 VanDerWaalsContact NZ-O 3.08Å
5Y92.9Very high86.3Confident58 Ų5855.7 Ų55.723%0.22728%0.284CS..EExtended strand (participates in β ladder)trans-90.9137.7173.2-60.9-72000111.2G3 P240 L262 T263G3-Y5 PolarHBondContact O-N 3.46Å; Y5-P240 HydrophobicContact CD1-CB 3.47Å; Y5-P240 VanDerWaalsContact CD1-CB 3.47Å; Y5-P240 HydrophobicContact CD1-CG 3.5Å; Y5-P240 VanDerWaalsContact CD1-CG 3.5Å; Y5-P240 HydrophobicContact CD2-CB 4.19Å; Y5-P240 HydrophobicContact CD2-CG 3.55Å; Y5-P240 HydrophobicContact CE1-CB 3.36Å; Y5-P240 HydrophobicContact CE1-CG 3.82Å; Y5-P240 HydrophobicContact CE2-CB 4.08Å; Y5-P240 HydrophobicContact CE2-CG 3.84Å; Y5-P240 HydrophobicContact CG-CB 3.89Å; Y5-P240 HydrophobicContact CG-CG 3.34Å; Y5-L262 HydrophobicContact CD1-CB 4.14Å; Y5-T263 HydrophobicContact CD1-CG2 3.71Å; Y5-T263 HydrophobicContact CE1-CG2 3.83Å
6F95.4Very high86.8Confident5 Ų555 Ų552%0.02229%0.286CS..EExtended strand (participates in β ladder)trans-112.6145.7-179.6-64.1-104.2000109.9K4 L8 Y30 L262 P266 F267 V270K4-F6 HydrophobicContact CB-CE2 3.98Å; K4-F6 HydrophobicContact CB-CZ 4.43Å; K4-F6 WeakPolarHBondContact O-CD2 3.46Å; K4-F6 WeakPolarHBondContact O-CE2 3.42Å; F6-L8 HydrophobicContact CB-CD2 4.11Å; F6-L8 HydrophobicContact CB-CG 4.45Å; F6-L8 HydrophobicContact CD1-CD2 4.17Å; F6-Y30 CarbonylContact C-O 3.58Å; F6-Y30 VanDerWaalsContact CA-O 3.3Å; F6-Y30 WeakPolarHBondContact CA-O 3.39Å; F6-Y30 HydrophobicContact CD1-CD1 4.32Å; F6-Y30 AromaticContact CD1-CG 3.9Å; F6-Y30 HydrophobicContact CD1-CG 3.9Å; F6-Y30 VanDerWaalsContact CE1-CB 3.48Å; F6-Y30 AromaticContact CE1-CD1 3.61Å; F6-Y30 HydrophobicContact CE1-CD1 3.61Å; F6-Y30 HydrophobicContact CE1-CD2 4.38Å; F6-Y30 AromaticContact CE1-CG 3.56Å; F6-Y30 HydrophobicContact CE1-CG 3.56Å; F6-Y30 HydrophobicContact CZ-CD1 4.04Å; F6-Y30 HydrophobicContact CZ-CD2 4.35Å; F6-Y30 AromaticContact CZ-CG 3.94Å; F6-Y30 HydrophobicContact CZ-CG 3.94Å; F6-L262 PolarHBondContact N-O 3.4Å; F6-P266 HydrophobicContact CB-CB 3.53Å; F6-P266 HydrophobicContact CB-CG 3.63Å; F6-P266 HydrophobicContact CD1-CB 4.4Å; F6-P266 HydrophobicContact CD2-CB 4.32Å; F6-P266 HydrophobicContact CD2-CG 3.92Å; F6-P266 HydrophobicContact CG-CB 3.85Å; F6-P266 HydrophobicContact CG-CG 3.91Å; F6-F267 HydrophobicContact CE2-CB 3.99Å; F6-F267 HydrophobicContact CZ-CB 3.91Å; F6-F267 AromaticContact CZ-CD2 3.94Å; F6-F267 HydrophobicContact CZ-CD2 3.94Å; F6-F267 HydrophobicContact CZ-CG 4.45Å; F6-V270 HydrophobicContact CD1-CG2 4.29Å; F6-V270 HydrophobicContact CE1-CG2 4.38Å
7D96.5Very high87.2Confident2 Ų252.4 Ų52.41%0.01127%0.274CS..EExtended strand (participates in β ladder)trans-129107162.8-170.3-12.6000107.5D9 L23 Y28 Y30 V31 A32 S228 S229D7-D9 VanDerWaalsContact C-N 3.34Å; D7-D9 PolarHBondContact OD1-N 3.21Å; D7-L23 HydrophobicContact CB-CD2 4.37Å; D7-L23 VanDerWaalsContact OD2-CD2 3.24Å; D7-L23 WeakPolarHBondContact OD2-CD2 3.17Å; D7-Y28 HydrophobicContact CB-CD1 3.96Å; D7-Y28 HydrophobicContact CB-CG 4.19Å; D7-Y30 PolarHBondContact N-O 3.15Å; D7-V31 CarbonylContact O-C 3.54Å; D7-V31 WeakPolarHBondContact O-CA 3.28Å; D7-A32 PolarHBondContact O-N 3.29Å; D7-S228 WeakPolarHBondContact OD1-CB 3.4Å; D7-S229 PolarHBondContact OD1-N 3.01Å; D7-S229 PolarHBondContact OD1-OG 3.43Å; D7-S229 WeakPolarHBondContact OD2-CB 3.23Å; D7-S229 PolarHBondContact OD2-OG 3.32Å
8L97.2Very high87.5Confident1 Ų155.8 Ų55.81%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-92.77.3-171.5-57.7-171.1000113.1F6 A32 R107 I134 L157 V226 S228 P266 V269 V270F6-L8 HydrophobicContact CB-CD2 4.11Å; F6-L8 HydrophobicContact CB-CG 4.45Å; F6-L8 HydrophobicContact CD1-CD2 4.17Å; L8-A32 HydrophobicContact CB-CB 4.38Å; L8-A32 HydrophobicContact CD2-CB 4.33Å; L8-A32 WeakPolarHBondContact O-CB 3.47Å; L8-R107 WeakPolarHBondContact O-CD 3.48Å; L8-R107 PolarHBondContact O-NH1 3.26Å; L8-I134 HydrophobicContact CB-CD1 4.47Å; L8-I134 HydrophobicContact CD1-CD1 4.26Å; L8-I134 HydrophobicContact CD2-CD1 3.96Å; L8-I134 HydrophobicContact CG-CD1 4.47Å; L8-L157 HydrophobicContact CD1-CD1 4.42Å; L8-V226 HydrophobicContact CD1-CG1 4.2Å; L8-S228 PolarHBondContact N-OG 3.34Å; L8-P266 HydrophobicContact CD1-CB 3.47Å; L8-P266 VanDerWaalsContact CD1-CB 3.47Å; L8-P266 HydrophobicContact CD2-CB 4.3Å; L8-P266 HydrophobicContact CG-CB 3.78Å; L8-V269 HydrophobicContact CD1-CB 4.06Å; L8-V269 HydrophobicContact CD1-CG1 3.83Å; L8-V270 HydrophobicContact CD1-CG2 4.32Å; L8-V270 HydrophobicContact CD2-CG2 3.69Å
9D97.3Very high88Confident2 Ų253.1 Ų53.11%0.01127%0.274CS..EExtended strand (participates in β ladder)trans-144.294-179-157.47.5000113.1D7 S34 R107 Q188 S229 G230D7-D9 VanDerWaalsContact C-N 3.34Å; D7-D9 PolarHBondContact OD1-N 3.21Å; D9-S34 WeakPolarHBondContact OD1-CB 3.48Å; D9-S34 PolarHBondContact OD1-OG 3.44Å; D9-R107 IonicContact OD1-CZ 3.72Å; D9-R107 IonicContact OD1-NE 4Å; D9-R107 IonicContact OD1-NH1 3.8Å; D9-R107 IonicContact OD2-CZ 3.85Å; D9-R107 IonicContact OD2-NH1 3.8Å; D9-R107 IonicContact OD2-NH2 2.83Å; D9-Q188 PolarHBondContact OD2-NE2 3.44Å; D9-S229 PolarHBondContact O-OG 3.41Å; D9-G230 VanDerWaalsContact O-CA 3.26Å; D9-G230 WeakPolarHBondContact O-CA 3.48Å; D9-G230 PolarHBondContact O-N 3.45Å
10V96.8Very high88.3Confident0 Ų050.4 Ų50.40%026%0.26CS..EExtended strand (participates in β ladder)trans-123.5110.7166.6-166.20000108.7F12 M15 L19 L23 V31 A32 V33 S34V10-F12 PolarHBondContact O-N 3.31Å; V10-M15 HydrophobicContact CB-SD 3.73Å; V10-M15 HydrophobicContact CG1-CG 4.2Å; V10-M15 HydrophobicContact CG1-SD 3.21Å; V10-M15 WeakPolarHBondContact CG1-SD 3.44Å; V10-L19 HydrophobicContact CG1-CD2 3.64Å; V10-L19 HydrophobicContact CG1-CG 4.41Å; V10-L23 HydrophobicContact CG1-CD1 4.36Å; V10-L23 HydrophobicContact CG2-CD1 3.73Å; V10-V31 HydrophobicContact CB-CG1 4.31Å; V10-V31 HydrophobicContact CG2-CG1 3.55Å; V10-A32 PolarHBondContact N-O 3.2Å; V10-V33 CarbonylContact O-C 3.43Å; V10-V33 WeakPolarHBondContact O-CA 3.25Å; V10-S34 PolarHBondContact O-N 3.09Å; V10-S34 PolarHBondContact O-OG 3.18Å
11P96.6Very high88.5Confident30 Ų3048 Ų4820%0.19525%0.248CC..EExtended strand (participates in β ladder)trans-55.8130-178.7-26.534.6000111.8E13 A14 M15 S34P11-E13 PolarHBondContact O-N 3.2Å; P11-A14 HydrophobicContact CB-CB 4.28Å; P11-A14 PolarHBondContact O-N 3.08Å; P11-M15 WeakPolarHBondContact O-CG 3.06Å; P11-M15 PolarHBondContact O-N 3.44Å; P11-M15 VanDerWaalsContact O-N 3.13Å; P11-S34 WeakPolarHBondContact CA-OG 3.41Å
12F95.4Very high90.9Very high69 Ų6945.7 Ų45.730%0.30323%0.231SC..G310 helixtrans-55.1-36.4178.7-178.6-111.6000112.2V10 A14 M15 V33 S34 Q35 P74 V78 Y82V10-F12 PolarHBondContact O-N 3.31Å; F12-A14 PolarHBondContact O-N 2.97Å; F12-M15 WeakPolarHBondContact O-CB 3.29Å; F12-M15 PolarHBondContact O-N 3.23Å; F12-M15 VanDerWaalsContact O-N 3.16Å; F12-V33 HydrophobicContact CB-CG1 3.83Å; F12-V33 HydrophobicContact CD2-CG1 3.6Å; F12-V33 HydrophobicContact CG-CG1 4.2Å; F12-S34 WeakPolarHBondContact CB-O 3.2Å; F12-S34 PolarHBondContact N-O 3.43Å; F12-Q35 HydrophobicContact CB-CG 4.17Å; F12-P74 HydrophobicContact CD2-CB 4.29Å; F12-P74 HydrophobicContact CD2-CG 3.88Å; F12-P74 HydrophobicContact CE2-CB 3.83Å; F12-P74 HydrophobicContact CE2-CG 3.92Å; F12-P74 HydrophobicContact CG-CG 4.45Å; F12-P74 HydrophobicContact CZ-CB 4.35Å; F12-V78 HydrophobicContact CE2-CG1 4.48Å; F12-Y82 HydrophobicContact CE2-CE2 4.48Å
13E93.9Very high93Very high193 Ų19336 Ų3690%0.90219%0.186SC*.G310 helixtrans-63.2-29.1176.7-62.4175.6-176.300113.3P11P11-E13 PolarHBondContact O-N 3.2Å
14A94.7Very high94.2Very high21 Ų2134.1 Ų34.117%0.17417%0.165CC..G310 helixtrans-93.2-1017800000113P11 F12 S16 L19P11-A14 HydrophobicContact CB-CB 4.28Å; P11-A14 PolarHBondContact O-N 3.08Å; F12-A14 PolarHBondContact O-N 2.97Å; A14-S16 PolarHBondContact O-N 2.85Å; A14-L19 HydrophobicContact CB-CD2 4.21Å; A14-L19 VanDerWaalsContact O-CD2 3.27Å; A14-L19 WeakPolarHBondContact O-CD2 3.18Å
15M94Very high94.6Very high11 Ų1135.4 Ų35.45%0.05417%0.173CC..  trans-63.9119.9-176.9-77.3-61.8-65.300110.9V10 P11 F12 L20 V33 Y82V10-M15 HydrophobicContact CB-SD 3.73Å; V10-M15 HydrophobicContact CG1-CG 4.2Å; V10-M15 HydrophobicContact CG1-SD 3.21Å; V10-M15 WeakPolarHBondContact CG1-SD 3.44Å; P11-M15 WeakPolarHBondContact O-CG 3.06Å; P11-M15 PolarHBondContact O-N 3.44Å; P11-M15 VanDerWaalsContact O-N 3.13Å; F12-M15 WeakPolarHBondContact O-CB 3.29Å; F12-M15 PolarHBondContact O-N 3.23Å; F12-M15 VanDerWaalsContact O-N 3.16Å; M15-L20 HydrophobicContact CE-CB 4.41Å; M15-V33 HydrophobicContact CE-CG2 3.74Å; M15-V33 HydrophobicContact CG-CG1 3.92Å; M15-V33 HydrophobicContact CG-CG2 3.97Å; M15-V33 HydrophobicContact SD-CG2 3.9Å; M15-Y82 HydrophobicContact CB-CE2 4.39Å
16S94.5Very high94.6Very high44 Ų4432.9 Ų32.931%0.30816%0.164SC..  trans-142.2158.3174.360.50000109.4A14 H18 L19 L20A14-S16 PolarHBondContact O-N 2.85Å; S16-H18 PolarHBondContact O-N 3.4Å; S16-L19 PolarHBondContact O-N 3.39Å; S16-L19 VanDerWaalsContact O-N 3.13Å; S16-L19 WeakPolarHBondContact OG-CB 3.41Å; S16-L19 PolarHBondContact OG-N 2.87Å; S16-L20 PolarHBondContact O-N 3.09Å
17A92.5Very high94.3Very high11 Ų1133.4 Ų33.49%0.09117%0.171CC..Hα-helixtrans-54.9-36175.400000112.5A21 E85 S86A17-A21 VanDerWaalsContact O-CB 3.24Å; A17-A21 WeakPolarHBondContact O-CB 3.5Å; A17-A21 PolarHBondContact O-N 2.87Å; A17-E85 HydrophobicContact CB-CB 3.58Å; A17-S86 WeakPolarHBondContact O-CB 3.35Å
18H93.9Very high94.2Very high113 Ų11333.8 Ų33.852%0.52317%0.173SC..Hα-helixtrans-66.7-45.1177.1-61.489000112.5S16 A21 R22 F89S16-H18 PolarHBondContact O-N 3.4Å; H18-A21 PolarHBondContact O-N 3.31Å; H18-R22 WeakPolarHBondContact O-CB 3.49Å; H18-R22 PolarHBondContact O-N 3.41Å; H18-F89 AromaticContact CD2-CD2 3.72Å; H18-F89 AromaticContact CD2-CE2 3.28Å; H18-F89 WeakPolarHBondContact CD2-CE2 3.21Å; H18-F89 AromaticContact CD2-CZ 3.47Å; H18-F89 VanDerWaalsContact CD2-CZ 3.47Å; H18-F89 WeakPolarHBondContact CD2-CZ 3.35Å; H18-F89 AromaticContact NE2-CD2 3.65Å; H18-F89 AromaticContact NE2-CE2 3.39Å; H18-F89 WeakPolarHBondContact NE2-CE2 3.5Å
19L95.4Very high93.9Very high4 Ų435.2 Ų35.22%0.02118%0.178CC..Hα-helixtrans-66-44178-177.760.7000111V10 A14 S16 R22 L23 A231 V237V10-L19 HydrophobicContact CG1-CD2 3.64Å; V10-L19 HydrophobicContact CG1-CG 4.41Å; A14-L19 HydrophobicContact CB-CD2 4.21Å; A14-L19 VanDerWaalsContact O-CD2 3.27Å; A14-L19 WeakPolarHBondContact O-CD2 3.18Å; S16-L19 PolarHBondContact O-N 3.39Å; S16-L19 VanDerWaalsContact O-N 3.13Å; S16-L19 WeakPolarHBondContact OG-CB 3.41Å; S16-L19 PolarHBondContact OG-N 2.87Å; L19-R22 WeakPolarHBondContact O-CB 3.46Å; L19-R22 PolarHBondContact O-N 2.85Å; L19-L23 HydrophobicContact CG-CD1 4.43Å; L19-L23 PolarHBondContact O-N 3.46Å; L19-A231 HydrophobicContact CD1-CB 4.5Å; L19-V237 HydrophobicContact CD1-CG2 3.77Å
20L94.7Very high93.7Very high0 Ų035.4 Ų35.40%018%0.179CC..Hα-helixtrans-61.8-46.8175.7-177.360000110.9M15 S16 R22 L23 L24 V31 I83 I104M15-L20 HydrophobicContact CE-CB 4.41Å; S16-L20 PolarHBondContact O-N 3.09Å; L20-R22 VanDerWaalsContact C-N 3.25Å; L20-R22 PolarHBondContact O-N 3.01Å; L20-L23 WeakPolarHBondContact O-CB 3.31Å; L20-L23 PolarHBondContact O-N 2.88Å; L20-L23 VanDerWaalsContact O-N 3.08Å; L20-L24 HydrophobicContact CD1-CG 4.44Å; L20-L24 HydrophobicContact CG-CD1 4.36Å; L20-L24 HydrophobicContact CG-CG 4.48Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.48Å; L20-L24 PolarHBondContact O-N 3.25Å; L20-V31 HydrophobicContact CD1-CG2 4.49Å; L20-I83 HydrophobicContact CD2-CG1 4.2Å; L20-I104 HydrophobicContact CD1-CD1 4.41Å; L20-I104 HydrophobicContact CD2-CD1 3.92Å
21A92.9Very high93.7Very high1 Ų135.5 Ų35.51%0.00818%0.179CC..Hα-helixtrans-54-44.5175.200000111.9A17 H18 L23 L24 D25 F89 R90A17-A21 VanDerWaalsContact O-CB 3.24Å; A17-A21 WeakPolarHBondContact O-CB 3.5Å; A17-A21 PolarHBondContact O-N 2.87Å; H18-A21 PolarHBondContact O-N 3.31Å; A21-L23 PolarHBondContact O-N 3.02Å; A21-L24 PolarHBondContact O-N 3.29Å; A21-D25 VanDerWaalsContact O-CG 3.26Å; A21-D25 PolarHBondContact O-N 3.41Å; A21-F89 HydrophobicContact CB-CD1 3.66Å; A21-F89 HydrophobicContact CB-CE1 4.25Å; A21-R90 HydrophobicContact CB-CG 3.62Å
22R93.5Very high93.6Very high105 Ų10534 Ų3440%0.39617%0.17SC..Hα-helixtrans-62.1-39.9177.3-18057.9-177164.10.3113H18 L19 L20 C26 V237H18-R22 WeakPolarHBondContact O-CB 3.49Å; H18-R22 PolarHBondContact O-N 3.41Å; L19-R22 WeakPolarHBondContact O-CB 3.46Å; L19-R22 PolarHBondContact O-N 2.85Å; L20-R22 VanDerWaalsContact C-N 3.25Å; L20-R22 PolarHBondContact O-N 3.01Å; R22-C26 WeakPolarHBondContact O-CB 3.32Å; R22-C26 PolarHBondContact O-N 2.99Å; R22-C26 PolarHBondContact O-SG 3.22Å; R22-V237 HydrophobicContact CG-CB 4.02Å; R22-V237 HydrophobicContact CG-CG1 4.31Å; R22-V237 HydrophobicContact CG-CG2 4.4Å
23L94.6Very high93.7Very high0 Ų030.8 Ų30.80%016%0.156CC..Hα-helixtrans-62.6-45.3174.8-75.2160.6000111.3D7 V10 L19 L20 A21 C26 G27 Y28 V31 V237D7-L23 HydrophobicContact CB-CD2 4.37Å; D7-L23 VanDerWaalsContact OD2-CD2 3.24Å; D7-L23 WeakPolarHBondContact OD2-CD2 3.17Å; V10-L23 HydrophobicContact CG1-CD1 4.36Å; V10-L23 HydrophobicContact CG2-CD1 3.73Å; L19-L23 HydrophobicContact CG-CD1 4.43Å; L19-L23 PolarHBondContact O-N 3.46Å; L20-L23 WeakPolarHBondContact O-CB 3.31Å; L20-L23 PolarHBondContact O-N 2.88Å; L20-L23 VanDerWaalsContact O-N 3.08Å; A21-L23 PolarHBondContact O-N 3.02Å; L23-C26 WeakPolarHBondContact O-CB 3.45Å; L23-C26 PolarHBondContact O-N 3.37Å; L23-C26 VanDerWaalsContact O-N 3.14Å; L23-G27 PolarHBondContact O-N 3.38Å; L23-Y28 HydrophobicContact CD2-CD2 3.97Å; L23-Y28 HydrophobicContact CD2-CG 4.4Å; L23-Y28 WeakPolarHBondContact O-CD2 3.24Å; L23-Y28 PolarHBondContact O-N 3.29Å; L23-V31 HydrophobicContact CB-CG2 4.48Å; L23-V31 HydrophobicContact CD1-CG1 4.17Å; L23-V31 HydrophobicContact CD1-CG2 4.42Å; L23-V237 HydrophobicContact CD2-CB 4.49Å; L23-V237 HydrophobicContact CD2-CG1 3.62Å; L23-V237 HydrophobicContact CD2-CG2 3.99Å; L23-V237 HydrophobicContact CG-CG1 4.18Å; L23-V237 HydrophobicContact CG-CG2 4.2Å
24L92.4Very high93.8Very high5 Ų521.8 Ų21.83%0.02611%0.114CC..Hα-helixtrans-63.4-43.1178.1-60179.3000112.1L20 A21 C26 G27 Y28 Y29 P102L20-L24 HydrophobicContact CD1-CG 4.44Å; L20-L24 HydrophobicContact CG-CD1 4.36Å; L20-L24 HydrophobicContact CG-CG 4.48Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.48Å; L20-L24 PolarHBondContact O-N 3.25Å; A21-L24 PolarHBondContact O-N 3.29Å; L24-C26 PolarHBondContact O-N 3.08Å; L24-G27 WeakPolarHBondContact O-CA 3.42Å; L24-G27 PolarHBondContact O-N 3.32Å; L24-Y28 WeakPolarHBondContact CD2-O 3.35Å; L24-Y29 HydrophobicContact CD2-CD1 4.29Å; L24-P102 HydrophobicContact CD1-CG 4.05Å; L24-P102 HydrophobicContact CD2-CB 3.43Å; L24-P102 VanDerWaalsContact CD2-CB 3.43Å; L24-P102 HydrophobicContact CD2-CG 3.85Å
25D91.2Very high93.8Very high68 Ų6822.2 Ų22.236%0.36411%0.113SC..Hα-helixtrans-66.7-25.9176.5-66.7-23000112.3A21 G27 R90A21-D25 VanDerWaalsContact O-CG 3.26Å; A21-D25 PolarHBondContact O-N 3.41Å; D25-G27 VanDerWaalsContact C-N 3.27Å; D25-R90 IonicContact OD1-CZ 2.71Å; D25-R90 VanDerWaalsContact OD1-CZ 3.23Å; D25-R90 IonicContact OD1-NE 3.24Å; D25-R90 PolarHBondContact OD1-NE 3.5Å; D25-R90 IonicContact OD1-NH2 3.22Å; D25-R90 PolarHBondContact OD1-NH2 3.14Å
26C92.2Very high93.8Very high5 Ų524.6 Ų24.63%0.03413%0.13CC..Hα-helixtrans-77.8-11.3171-68.80000113.6R22 L23 L24 Y28 V237 R239 P240R22-C26 WeakPolarHBondContact O-CB 3.32Å; R22-C26 PolarHBondContact O-N 2.99Å; R22-C26 PolarHBondContact O-SG 3.22Å; L23-C26 WeakPolarHBondContact O-CB 3.45Å; L23-C26 PolarHBondContact O-N 3.37Å; L23-C26 VanDerWaalsContact O-N 3.14Å; L24-C26 PolarHBondContact O-N 3.08Å; C26-Y28 HydrophobicContact CB-CD2 3.71Å; C26-Y28 HydrophobicContact CB-CE2 3.71Å; C26-V237 HydrophobicContact CB-CG1 4.14Å; C26-R239 HydrophobicContact CB-CG 4.14Å; C26-P240 WeakPolarHBondContact O-CD 3.28Å
27G91Very high93.8Very high17 Ų1722.5 Ų22.518%0.17512%0.116CC..THydrogen-bonded Turntrans97.79.8178.900000115.3L23 L24 D25 Y29L23-G27 PolarHBondContact O-N 3.38Å; L24-G27 WeakPolarHBondContact O-CA 3.42Å; L24-G27 PolarHBondContact O-N 3.32Å; D25-G27 VanDerWaalsContact C-N 3.27Å; G27-Y29 VanDerWaalsContact O-CD2 3.32Å; G27-Y29 WeakPolarHBondContact O-CD2 3.47Å; G27-Y29 PolarHBondContact O-N 2.96Å
28Y93.9Very high93.8Very high10 Ų1025.2 Ų25.24%0.03913%0.128CC..EExtended strand (participates in β ladder)trans-85.896.5176.7-60.2-77.2000110.6D7 L23 L24 C26 V237 R238 P240D7-Y28 HydrophobicContact CB-CD1 3.96Å; D7-Y28 HydrophobicContact CB-CG 4.19Å; L23-Y28 HydrophobicContact CD2-CD2 3.97Å; L23-Y28 HydrophobicContact CD2-CG 4.4Å; L23-Y28 WeakPolarHBondContact O-CD2 3.24Å; L23-Y28 PolarHBondContact O-N 3.29Å; L24-Y28 WeakPolarHBondContact CD2-O 3.35Å; C26-Y28 HydrophobicContact CB-CD2 3.71Å; C26-Y28 HydrophobicContact CB-CE2 3.71Å; Y28-V237 HydrophobicContact CD2-CG1 4.46Å; Y28-V237 HydrophobicContact CE2-CG1 4.26Å; Y28-R238 WeakPolarHBondContact CE2-O 3.39Å; Y28-R238 PolarHBondContact OH-O 3.02Å; Y28-P240 HydrophobicContact CE1-CG 4.01Å
29Y91.1Very high93.6Very high30 Ų3019.9 Ų19.912%0.11810%0.103CC..EExtended strand (participates in β ladder)trans-92.2-8.9178.8-65.7-80.4000113.5L24 G27 I98 C100 P102 R103L24-Y29 HydrophobicContact CD2-CD1 4.29Å; G27-Y29 VanDerWaalsContact O-CD2 3.32Å; G27-Y29 WeakPolarHBondContact O-CD2 3.47Å; G27-Y29 PolarHBondContact O-N 2.96Å; Y29-I98 WeakPolarHBondContact OH-CB 3.23Å; Y29-C100 HydrophobicContact CD1-CB 3.82Å; Y29-C100 WeakPolarHBondContact CD1-O 3.31Å; Y29-C100 HydrophobicContact CE1-CB 3.8Å; Y29-C100 HydrophobicContact CG-CB 4.31Å; Y29-P102 CarbonylContact O-C 3.54Å; Y29-P102 WeakPolarHBondContact O-CA 3.18Å; Y29-R103 PolarHBondContact O-N 2.96Å
30Y93.3Very high93.1Very high7 Ų721.9 Ų21.93%0.02711%0.114CC..EExtended strand (participates in β ladder)trans-121.398.3-179.5-64.9-100.7000107.5K4 F6 D7 R103 F105K4-Y30 HydrophobicContact CB-CD2 4.11Å; K4-Y30 HydrophobicContact CB-CE2 3.84Å; K4-Y30 HydrophobicContact CD-CE1 4.41Å; K4-Y30 HydrophobicContact CD-CE2 3.59Å; K4-Y30 WeakPolarHBondContact CD-OH 3.27Å; K4-Y30 WeakPolarHBondContact CE-OH 3.47Å; K4-Y30 HydrophobicContact CG-CD2 4.44Å; K4-Y30 HydrophobicContact CG-CE2 3.67Å; K4-Y30 PolarHBondContact NZ-OH 2.93Å; F6-Y30 CarbonylContact C-O 3.58Å; F6-Y30 VanDerWaalsContact CA-O 3.3Å; F6-Y30 WeakPolarHBondContact CA-O 3.39Å; F6-Y30 HydrophobicContact CD1-CD1 4.32Å; F6-Y30 AromaticContact CD1-CG 3.9Å; F6-Y30 HydrophobicContact CD1-CG 3.9Å; F6-Y30 VanDerWaalsContact CE1-CB 3.48Å; F6-Y30 AromaticContact CE1-CD1 3.61Å; F6-Y30 HydrophobicContact CE1-CD1 3.61Å; F6-Y30 HydrophobicContact CE1-CD2 4.38Å; F6-Y30 AromaticContact CE1-CG 3.56Å; F6-Y30 HydrophobicContact CE1-CG 3.56Å; F6-Y30 HydrophobicContact CZ-CD1 4.04Å; F6-Y30 HydrophobicContact CZ-CD2 4.35Å; F6-Y30 AromaticContact CZ-CG 3.94Å; F6-Y30 HydrophobicContact CZ-CG 3.94Å; D7-Y30 PolarHBondContact N-O 3.15Å; Y30-R103 WeakPolarHBondContact CA-O 3.13Å; Y30-R103 HydrophobicContact CD1-CB 4.23Å; Y30-R103 HydrophobicContact CE1-CB 4.44Å; Y30-R103 HydrophobicContact CE1-CG 4.39Å; Y30-F105 AromaticContact CD1-CE2 3.91Å; Y30-F105 HydrophobicContact CD1-CE2 3.91Å; Y30-F105 HydrophobicContact CD1-CZ 4.13Å
31V95.1Very high92.3Very high1 Ų126.9 Ų26.91%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-116137.4-172.7-1800000109D7 V10 L20 L23 R103 I104 F105D7-V31 CarbonylContact O-C 3.54Å; D7-V31 WeakPolarHBondContact O-CA 3.28Å; V10-V31 HydrophobicContact CB-CG1 4.31Å; V10-V31 HydrophobicContact CG2-CG1 3.55Å; L20-V31 HydrophobicContact CD1-CG2 4.49Å; L23-V31 HydrophobicContact CB-CG2 4.48Å; L23-V31 HydrophobicContact CD1-CG1 4.17Å; L23-V31 HydrophobicContact CD1-CG2 4.42Å; V31-R103 PolarHBondContact N-O 2.99Å; V31-I104 CarbonylContact O-C 3.57Å; V31-I104 VanDerWaalsContact O-CA 3.23Å; V31-I104 WeakPolarHBondContact O-CA 3.48Å; V31-F105 PolarHBondContact O-N 3.43Å
32A96.2Very high91.3Very high0 Ų027.7 Ų27.70%014%0.144CC..EExtended strand (participates in β ladder)trans-110.6131.6169.300000111.1D7 L8 V10 F105 R107 I134D7-A32 PolarHBondContact O-N 3.29Å; L8-A32 HydrophobicContact CB-CB 4.38Å; L8-A32 HydrophobicContact CD2-CB 4.33Å; L8-A32 WeakPolarHBondContact O-CB 3.47Å; V10-A32 PolarHBondContact N-O 3.2Å; A32-F105 CarbonylContact C-O 3.57Å; A32-F105 WeakPolarHBondContact CA-O 3.26Å; A32-F105 HydrophobicContact CB-CB 3.95Å; A32-R107 HydrophobicContact CB-CB 4.15Å; A32-I134 HydrophobicContact CB-CD1 3.81Å
33V96.6Very high90.1Very high1 Ų127.5 Ų27.51%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-94.3119.1179.1173.30000108.5V10 F12 M15 P74 L79 I104 F105 R107V10-V33 CarbonylContact O-C 3.43Å; V10-V33 WeakPolarHBondContact O-CA 3.25Å; F12-V33 HydrophobicContact CB-CG1 3.83Å; F12-V33 HydrophobicContact CD2-CG1 3.6Å; F12-V33 HydrophobicContact CG-CG1 4.2Å; M15-V33 HydrophobicContact CE-CG2 3.74Å; M15-V33 HydrophobicContact CG-CG1 3.92Å; M15-V33 HydrophobicContact CG-CG2 3.97Å; M15-V33 HydrophobicContact SD-CG2 3.9Å; V33-P74 HydrophobicContact CG1-CG 4.46Å; V33-L79 HydrophobicContact CG2-CD2 4.27Å; V33-I104 HydrophobicContact CB-CG2 4.33Å; V33-I104 HydrophobicContact CG2-CG2 3.51Å; V33-F105 PolarHBondContact N-O 2.84Å; V33-R107 PolarHBondContact O-N 3.29Å
34S96Very high88.9Confident3 Ų329.5 Ų29.52%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-100.2134.2-17261.10000112.9D9 V10 P11 F12 R107D9-S34 WeakPolarHBondContact OD1-CB 3.48Å; D9-S34 PolarHBondContact OD1-OG 3.44Å; V10-S34 PolarHBondContact O-N 3.09Å; V10-S34 PolarHBondContact O-OG 3.18Å; P11-S34 WeakPolarHBondContact CA-OG 3.41Å; F12-S34 WeakPolarHBondContact CB-O 3.2Å; F12-S34 PolarHBondContact N-O 3.43Å; S34-R107 CarbonylContact C-O 3.58Å; S34-R107 VanDerWaalsContact CA-O 3.32Å; S34-R107 WeakPolarHBondContact CA-O 3.45Å
35Q95.2Very high87.6Confident31 Ų3133.2 Ų33.215%0.14518%0.177CC..EExtended strand (participates in β ladder)trans-109.2141.8165.7-69.8176.2-16.800109.1F12 K70 E72 P74 R107 L108 T109F12-Q35 HydrophobicContact CB-CG 4.17Å; Q35-K70 PolarHBondContact OE1-O 3.36Å; Q35-E72 PolarHBondContact NE2-O 3.44Å; Q35-E72 PolarHBondContact OE1-O 3.01Å; Q35-E72 VanDerWaalsContact OE1-O 3.14Å; Q35-P74 HydrophobicContact CG-CG 4.47Å; Q35-P74 VanDerWaalsContact NE2-CD 3.27Å; Q35-R107 PolarHBondContact N-O 3.02Å; Q35-L108 CarbonylContact O-C 3.59Å; Q35-T109 PolarHBondContact O-N 2.95Å
36S94.4Very high86Confident60 Ų6034.3 Ų34.342%0.4219%0.186SC..EExtended strand (participates in β ladder)trans-111.7134.9-174.3-65.40000111.8T109S36-T109 WeakPolarHBondContact CA-O 3.48Å
37V93.8Very high84.1Confident1 Ų144.7 Ų44.71%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-128.9128.3175.7177.20000109.3F42 L67 K70 L71 L108 T109 Y111 F121V37-F42 HydrophobicContact CG1-CE2 4.11Å; V37-L67 HydrophobicContact CG1-CD2 3.54Å; V37-K70 HydrophobicContact CG2-CB 3.87Å; V37-K70 HydrophobicContact CG2-CD 4.45Å; V37-L71 HydrophobicContact CG2-CD2 4.25Å; V37-L108 HydrophobicContact CG2-CD1 3.82Å; V37-T109 PolarHBondContact N-O 3.22Å; V37-Y111 PolarHBondContact O-N 3.3Å; V37-F121 HydrophobicContact CG1-CE2 4.48Å
38L92.6Very high82.1Confident68 Ų6848.1 Ų48.136%0.35625%0.246SC..EExtended strand (participates in β ladder)trans-98.3106.5177.1178.658.4000110.4D40 D41 F42L38-D40 VanDerWaalsContact C-N 3.33Å; L38-D40 PolarHBondContact O-N 3.33Å; L38-D41 WeakPolarHBondContact CD2-OD1 3.3Å; L38-D41 WeakPolarHBondContact CD2-OD2 3.28Å; L38-F42 WeakPolarHBondContact O-CD2 3.16Å; L38-F42 WeakPolarHBondContact O-CE2 3.49Å
39V89.6Confident80.2Confident0 Ų053.4 Ų53.40%028%0.275CS..G310 helixtrans-69.4-29.8-172.1-179.90000112.8D41 F42 F44 I110 Y111 C112 N117 F121V39-D41 VanDerWaalsContact C-N 3.31Å; V39-D41 PolarHBondContact O-N 3.4Å; V39-F42 WeakPolarHBondContact O-CB 3.5Å; V39-F42 WeakPolarHBondContact O-CD2 3.4Å; V39-F42 PolarHBondContact O-N 3.3Å; V39-F44 HydrophobicContact CG1-CE2 3.9Å; V39-F44 HydrophobicContact CG1-CZ 4.49Å; V39-I110 HydrophobicContact CG2-CG2 3.26Å; V39-Y111 WeakPolarHBondContact CB-O 3.5Å; V39-Y111 PolarHBondContact N-O 2.88Å; V39-C112 HydrophobicContact CB-CB 4.28Å; V39-N117 HydrophobicContact CG1-CB 4.03Å; V39-F121 HydrophobicContact CG1-CB 3.8Å; V39-F121 HydrophobicContact CG1-CD2 4.42Å; V39-F121 HydrophobicContact CG1-CG 4.26Å; V39-F121 HydrophobicContact CG2-CB 4.41Å; V39-F121 HydrophobicContact CG2-CD1 4.48Å; V39-F121 HydrophobicContact CG2-CD2 4.01Å; V39-F121 HydrophobicContact CG2-CE2 4.44Å; V39-F121 HydrophobicContact CG2-CG 4.03Å
40D84.4Confident78.5Confident46 Ų4656.1 Ų56.125%0.24630%0.298CS..G310 helixtrans-73.8-20.1-173-54-62.3000114.1L38 F42 C112 N113 N114L38-D40 VanDerWaalsContact C-N 3.33Å; L38-D40 PolarHBondContact O-N 3.33Å; D40-F42 PolarHBondContact O-N 2.92Å; D40-F42 VanDerWaalsContact O-N 3.15Å; D40-C112 WeakPolarHBondContact OD2-CA 3.14Å; D40-N113 VanDerWaalsContact CG-N 3.26Å; D40-N113 PolarHBondContact OD1-N 3.43Å; D40-N113 VanDerWaalsContact OD1-N 3.07Å; D40-N113 WeakPolarHBondContact OD2-CB 3.15Å; D40-N113 PolarHBondContact OD2-N 2.77Å; D40-N114 PolarHBondContact OD1-N 2.92Å
41D77.2Confident76.8Confident105 Ų10561.8 Ų61.856%0.56133%0.334SS*.G310 helixtrans-66.7-12.6174-69.8-9.1000112L38 V39 M63L38-D41 WeakPolarHBondContact CD2-OD1 3.3Å; L38-D41 WeakPolarHBondContact CD2-OD2 3.28Å; V39-D41 VanDerWaalsContact C-N 3.31Å; V39-D41 PolarHBondContact O-N 3.4Å; D41-M63 WeakPolarHBondContact O-CE 3.4Å
42F73.4Confident75Confident18 Ų1865.2 Ų65.28%0.07936%0.355CS..SBendtrans-97.7114.6-173.4-57.5-66.1000111.2V37 L38 V39 D40 F44 M63 L67V37-F42 HydrophobicContact CG1-CE2 4.11Å; L38-F42 WeakPolarHBondContact O-CD2 3.16Å; L38-F42 WeakPolarHBondContact O-CE2 3.49Å; V39-F42 WeakPolarHBondContact O-CB 3.5Å; V39-F42 WeakPolarHBondContact O-CD2 3.4Å; V39-F42 PolarHBondContact O-N 3.3Å; D40-F42 PolarHBondContact O-N 2.92Å; D40-F42 VanDerWaalsContact O-N 3.15Å; F42-F44 HydrophobicContact CB-CD2 4.16Å; F42-F44 HydrophobicContact CB-CE2 3.58Å; F42-F44 HydrophobicContact CB-CZ 3.82Å; F42-F44 VanDerWaalsContact O-CD2 3.24Å; F42-F44 WeakPolarHBondContact O-CD2 2.86Å; F42-F44 PolarHBondContact O-N 3.12Å; F42-M63 HydrophobicContact CB-SD 4.31Å; F42-M63 HydrophobicContact CD1-CE 4.44Å; F42-M63 HydrophobicContact CD1-CG 3.3Å; F42-M63 HydrophobicContact CD1-SD 3.65Å; F42-M63 HydrophobicContact CE1-CG 3.64Å; F42-M63 HydrophobicContact CE1-SD 4.5Å; F42-M63 HydrophobicContact CG-SD 4.48Å; F42-L67 HydrophobicContact CB-CD1 4.39Å; F42-L67 HydrophobicContact CD1-CD1 3.49Å; F42-L67 VanDerWaalsContact CD1-CD1 3.49Å; F42-L67 HydrophobicContact CD1-CD2 4.38Å; F42-L67 HydrophobicContact CD1-CG 3.78Å; F42-L67 HydrophobicContact CD2-CD1 3.82Å; F42-L67 HydrophobicContact CD2-CD2 3.86Å; F42-L67 HydrophobicContact CD2-CG 4.1Å; F42-L67 HydrophobicContact CE1-CD1 3.66Å; F42-L67 HydrophobicContact CE1-CD2 3.84Å; F42-L67 HydrophobicContact CE1-CG 3.35Å; F42-L67 HydrophobicContact CE2-CD1 3.94Å; F42-L67 HydrophobicContact CE2-CD2 3.18Å; F42-L67 HydrophobicContact CE2-CG 3.67Å; F42-L67 HydrophobicContact CG-CD1 3.61Å; F42-L67 HydrophobicContact CG-CD2 4.43Å; F42-L67 HydrophobicContact CG-CG 4.16Å; F42-L67 HydrophobicContact CZ-CD1 3.89Å; F42-L67 HydrophobicContact CZ-CD2 3.19Å; F42-L67 HydrophobicContact CZ-CG 3.29Å
43N68.2Low73Confident102 Ų10272.4 Ų72.455%0.54538%0.382SS..  trans-80.586.3178.3-162.83.7000110.5E45N43-E45 VanDerWaalsContact C-N 3.34Å; N43-E45 PolarHBondContact OD1-O 3.35Å
44F68.9Low71.2Confident41 Ų4180.2 Ų80.218%0.1842%0.416CS..  trans-75-23.6176.2-63.3-80.1000112.9V39 F42 N117 L120 F121 F125V39-F44 HydrophobicContact CG1-CE2 3.9Å; V39-F44 HydrophobicContact CG1-CZ 4.49Å; F42-F44 HydrophobicContact CB-CD2 4.16Å; F42-F44 HydrophobicContact CB-CE2 3.58Å; F42-F44 HydrophobicContact CB-CZ 3.82Å; F42-F44 VanDerWaalsContact O-CD2 3.24Å; F42-F44 WeakPolarHBondContact O-CD2 2.86Å; F42-F44 PolarHBondContact O-N 3.12Å; F44-N117 HydrophobicContact CD2-CB 4.19Å; F44-N117 HydrophobicContact CE2-CB 4.4Å; F44-L120 HydrophobicContact CB-CB 4.16Å; F44-L120 HydrophobicContact CB-CD1 3.43Å; F44-L120 VanDerWaalsContact CB-CD1 3.43Å; F44-L120 HydrophobicContact CB-CG 4.4Å; F44-L120 HydrophobicContact CD1-CB 4.08Å; F44-L120 HydrophobicContact CD2-CB 4.34Å; F44-L120 HydrophobicContact CG-CB 3.95Å; F44-L120 HydrophobicContact CG-CD1 4.13Å; F44-F121 HydrophobicContact CZ-CB 4.15Å; F44-F125 HydrophobicContact CE1-CE2 4.38Å
45E64.5Low69.3Low84 Ų8487 Ų8739%0.39345%0.445SS..  trans-86.2131.4-176.7-60.5-161.1160.400112.7N43 R60N43-E45 VanDerWaalsContact C-N 3.34Å; N43-E45 PolarHBondContact OD1-O 3.35Å; E45-R60 PolarHBondContact O-NH2 3.23Å
46V57.7Low68.4Low91 Ų9188.1 Ų88.155%0.55245%0.452SS*.  trans-107.595.4169.5-1650000107.8
47R52.9Low67.7Low222 Ų22292.2 Ų92.284%0.83846%0.462SS*.  trans-86.8134.8159.6-72.3-171.2177.9-171.1-0109.4
48S49.6Very low67.2Low90 Ų9098.2 Ų98.263%0.62949%0.49SS*.  trans-62.2123.4-162.946.70000114.1
49D53Low66.7Low120 Ų12099.8 Ų99.864%0.64250%0.495SS*.  trans-159147.9133.3-86.5-28.7000109.8T52 R53D49-T52 PolarHBondContact O-OG1 2.98Å; D49-R53 WeakPolarHBondContact O-CG 3.45Å
50S57Low66.1Low87 Ų87102.9 Ų102.961%0.60851%0.507SS*.SBendtrans-80.9-32.2-159.557.10000115.2R53S50-R53 WeakPolarHBondContact O-CB 3.49Å; S50-R53 WeakPolarHBondContact O-CG 3.41Å; S50-R53 PolarHBondContact O-N 3.24Å
51T57Low66.2Low127 Ų127105.7 Ų105.778%0.77952%0.519SS*.THydrogen-bonded Turntrans-79.1-29.1-173.949.20000113R53T51-R53 VanDerWaalsContact C-N 3.27Å; T51-R53 PolarHBondContact O-N 3.09Å
52T55.8Low66.6Low72 Ų72103.2 Ų103.244%0.44251%0.513SS..THydrogen-bonded Turntrans-77.2-9.9174.554.10000112.9D49 K54 N56D49-T52 PolarHBondContact O-OG1 2.98Å; T52-K54 PolarHBondContact O-N 3.13Å; T52-N56 WeakPolarHBondContact O-CB 3.41Å; T52-N56 PolarHBondContact O-N 2.89Å; T52-N56 PolarHBondContact O-ND2 3.07Å; T52-N56 PolarHBondContact O-OD1 3.47Å
53R54.3Low67.1Low152 Ų152105.3 Ų105.357%0.57452%0.524SS*.Hα-helixtrans-62.7-39.6-172.5-72.5-177.6176.1-175.6-3.2115.4D49 S50 T51 K57D49-R53 WeakPolarHBondContact O-CG 3.45Å; S50-R53 WeakPolarHBondContact O-CB 3.49Å; S50-R53 WeakPolarHBondContact O-CG 3.41Å; S50-R53 PolarHBondContact O-N 3.24Å; T51-R53 VanDerWaalsContact C-N 3.27Å; T51-R53 PolarHBondContact O-N 3.09Å; R53-K57 WeakPolarHBondContact O-CB 3.17Å; R53-K57 PolarHBondContact O-N 3.49Å
54K58.8Low67.9Low165 Ų165106.7 Ų106.772%0.71752%0.521SS*.Hα-helixtrans-75-50-170.6-167.2-180177-174.60112.1T52 N56 K57 E58T52-K54 PolarHBondContact O-N 3.13Å; K54-N56 VanDerWaalsContact C-N 3.3Å; K54-N56 PolarHBondContact O-N 2.82Å; K54-K57 WeakPolarHBondContact O-CB 3.18Å; K54-K57 PolarHBondContact O-N 3.41Å; K54-K57 VanDerWaalsContact O-N 3.08Å; K54-E58 PolarHBondContact O-N 2.97Å
55K57.8Low68.8Low144 Ų144110.2 Ų110.263%0.62654%0.539SS*.Hα-helixtrans-60.4-41.1174.3-170.6178175.6-175.90111.1K57 E58 E59K55-K57 VanDerWaalsContact C-N 3.28Å; K55-K57 PolarHBondContact O-N 3.07Å; K55-E58 PolarHBondContact O-N 2.67Å; K55-E59 VanDerWaalsContact CE-OE1 3.23Å; K55-E59 WeakPolarHBondContact CE-OE1 3.19Å; K55-E59 WeakPolarHBondContact O-CG 3.27Å; K55-E59 PolarHBondContact O-N 3.42Å
56N74.6Confident70Confident55 Ų55110.3 Ų110.329%0.29454%0.541SS..Hα-helixtrans-66.4-26.3175.7-68.91.6000113.3T52 K54 R60T52-N56 WeakPolarHBondContact O-CB 3.41Å; T52-N56 PolarHBondContact O-N 2.89Å; T52-N56 PolarHBondContact O-ND2 3.07Å; T52-N56 PolarHBondContact O-OD1 3.47Å; K54-N56 VanDerWaalsContact C-N 3.3Å; K54-N56 PolarHBondContact O-N 2.82Å; N56-R60 WeakPolarHBondContact O-CB 3.26Å; N56-R60 VanDerWaalsContact O-CD 3.29Å; N56-R60 WeakPolarHBondContact O-CD 3.36Å; N56-R60 WeakPolarHBondContact O-CG 3.43Å; N56-R60 PolarHBondContact O-N 2.69Å
57K80Confident71.4Confident146 Ų146106 Ų10664%0.63552%0.516SS*.Hα-helixtrans-71.6-44.4179.1-173.4-178.3176.4-174.50111.6R53 K54 K55 R60 Q61R53-K57 WeakPolarHBondContact O-CB 3.17Å; R53-K57 PolarHBondContact O-N 3.49Å; K54-K57 WeakPolarHBondContact O-CB 3.18Å; K54-K57 PolarHBondContact O-N 3.41Å; K54-K57 VanDerWaalsContact O-N 3.08Å; K55-K57 VanDerWaalsContact C-N 3.28Å; K55-K57 PolarHBondContact O-N 3.07Å; K57-R60 PolarHBondContact O-N 3.46Å; K57-Q61 WeakPolarHBondContact O-CB 3.47Å; K57-Q61 PolarHBondContact O-N 2.86Å
58E83.1Confident73.2Confident128 Ų12899 Ų9960%0.59849%0.494SS*.Hα-helixtrans-65.3-46.4177.4-71.9173.2-167.700110.8K54 K55 R60 Q61 A62K54-E58 PolarHBondContact O-N 2.97Å; K55-E58 PolarHBondContact O-N 2.67Å; E58-R60 VanDerWaalsContact C-N 3.32Å; E58-R60 PolarHBondContact O-N 3.05Å; E58-Q61 PolarHBondContact O-N 3.34Å; E58-Q61 VanDerWaalsContact O-N 3.09Å; E58-A62 WeakPolarHBondContact O-CB 3.21Å; E58-A62 PolarHBondContact O-N 2.98Å
59E82.4Confident75.2Confident100 Ų10097.6 Ų97.647%0.46749%0.488SS..Hα-helixtrans-59-42.4174.6-70.6173.3-174.900111.7K55 A62 M63K55-E59 VanDerWaalsContact CE-OE1 3.23Å; K55-E59 WeakPolarHBondContact CE-OE1 3.19Å; K55-E59 WeakPolarHBondContact O-CG 3.27Å; K55-E59 PolarHBondContact O-N 3.42Å; E59-A62 PolarHBondContact O-N 3.03Å; E59-M63 WeakPolarHBondContact O-CB 3.49Å; E59-M63 PolarHBondContact O-N 3.45Å
60R78.2Confident77Confident66 Ų6696.3 Ų96.325%0.24948%0.476CS..Hα-helixtrans-64.2-38.9173.5-78.9169.4-179.6176.9-1.3112.8E45 N56 K57 E58 R64E45-R60 PolarHBondContact O-NH2 3.23Å; N56-R60 WeakPolarHBondContact O-CB 3.26Å; N56-R60 VanDerWaalsContact O-CD 3.29Å; N56-R60 WeakPolarHBondContact O-CD 3.36Å; N56-R60 WeakPolarHBondContact O-CG 3.43Å; N56-R60 PolarHBondContact O-N 2.69Å; K57-R60 PolarHBondContact O-N 3.46Å; E58-R60 VanDerWaalsContact C-N 3.32Å; E58-R60 PolarHBondContact O-N 3.05Å; R60-R64 WeakPolarHBondContact O-CB 3.37Å; R60-R64 WeakPolarHBondContact O-CG 3.45Å; R60-R64 PolarHBondContact O-N 3.35Å
61Q85.4Confident78.6Confident104 Ų10492.3 Ų92.349%0.48645%0.448SS..Hα-helixtrans-67.3-42.8177.8-176.2170.1-9.900110.7K57 E58 R64 Q65K57-Q61 WeakPolarHBondContact O-CB 3.47Å; K57-Q61 PolarHBondContact O-N 2.86Å; E58-Q61 PolarHBondContact O-N 3.34Å; E58-Q61 VanDerWaalsContact O-N 3.09Å; Q61-R64 PolarHBondContact O-N 3.14Å; Q61-Q65 WeakPolarHBondContact O-CB 3.5Å; Q61-Q65 VanDerWaalsContact O-CG 3.31Å; Q61-Q65 WeakPolarHBondContact O-CG 3.49Å; Q61-Q65 PolarHBondContact O-N 3.42Å
62A86.2Confident80.3Confident53 Ų5392.8 Ų92.844%0.43844%0.442SS..Hα-helixtrans-62.1-44.7174.300000111.6E58 E59 R64 Q65 N66E58-A62 WeakPolarHBondContact O-CB 3.21Å; E58-A62 PolarHBondContact O-N 2.98Å; E59-A62 PolarHBondContact O-N 3.03Å; A62-R64 PolarHBondContact O-N 2.97Å; A62-Q65 PolarHBondContact O-N 3.37Å; A62-N66 WeakPolarHBondContact O-CB 3.31Å; A62-N66 PolarHBondContact O-N 3.14Å
63M83.6Confident82.1Confident63 Ų6391 Ų9131%0.3143%0.432SS..Hα-helixtrans-60.1-43175176.9-170.2-86.200111.9D41 F42 E59 N66 L67D41-M63 WeakPolarHBondContact O-CE 3.4Å; F42-M63 HydrophobicContact CB-SD 4.31Å; F42-M63 HydrophobicContact CD1-CE 4.44Å; F42-M63 HydrophobicContact CD1-CG 3.3Å; F42-M63 HydrophobicContact CD1-SD 3.65Å; F42-M63 HydrophobicContact CE1-CG 3.64Å; F42-M63 HydrophobicContact CE1-SD 4.5Å; F42-M63 HydrophobicContact CG-SD 4.48Å; E59-M63 WeakPolarHBondContact O-CB 3.49Å; E59-M63 PolarHBondContact O-N 3.45Å; M63-N66 PolarHBondContact O-N 2.95Å; M63-L67 PolarHBondContact O-N 3.45Å
64R85.2Confident83.9Confident131 Ų13184.5 Ų84.549%0.49441%0.409SS..Hα-helixtrans-65.1-41174.6-77173.2176.5-158.2-2.3112.3R60 Q61 A62 N66 L67 I68R60-R64 WeakPolarHBondContact O-CB 3.37Å; R60-R64 WeakPolarHBondContact O-CG 3.45Å; R60-R64 PolarHBondContact O-N 3.35Å; Q61-R64 PolarHBondContact O-N 3.14Å; A62-R64 PolarHBondContact O-N 2.97Å; R64-N66 VanDerWaalsContact C-N 3.34Å; R64-L67 WeakPolarHBondContact O-CB 3.41Å; R64-L67 PolarHBondContact O-N 3.27Å; R64-I68 WeakPolarHBondContact O-CD1 3.28Å; R64-I68 VanDerWaalsContact O-CG1 3.23Å; R64-I68 WeakPolarHBondContact O-CG1 3.33Å; R64-I68 PolarHBondContact O-N 3.43Å
65Q88.8Confident85.5Confident115 Ų11579.2 Ų79.254%0.53739%0.392SS..Hα-helixtrans-64.9-40.1176.4-74.9173.7-14.700111.3Q61 A62 I68 A69Q61-Q65 WeakPolarHBondContact O-CB 3.5Å; Q61-Q65 VanDerWaalsContact O-CG 3.31Å; Q61-Q65 WeakPolarHBondContact O-CG 3.49Å; Q61-Q65 PolarHBondContact O-N 3.42Å; A62-Q65 PolarHBondContact O-N 3.37Å; Q65-I68 PolarHBondContact O-N 3.26Å; Q65-A69 WeakPolarHBondContact O-CB 3.35Å; Q65-A69 PolarHBondContact O-N 3.44Å
66N88.7Confident87Confident85 Ų8576.7 Ų76.746%0.45539%0.391SS..Hα-helixtrans-61.4-44.2173.8-169.4-51000111.5A62 M63 R64 A69 K70A62-N66 WeakPolarHBondContact O-CB 3.31Å; A62-N66 PolarHBondContact O-N 3.14Å; M63-N66 PolarHBondContact O-N 2.95Å; R64-N66 VanDerWaalsContact C-N 3.34Å; N66-A69 PolarHBondContact O-N 3.11Å; N66-K70 WeakPolarHBondContact O-CG 3.42Å; N66-K70 PolarHBondContact O-N 2.98Å; N66-K70 VanDerWaalsContact OD1-CE 3.28Å; N66-K70 WeakPolarHBondContact OD1-CE 3.44Å
67L87.5Confident87.9Confident2 Ų280.1 Ų80.11%0.0141%0.409CS..Hα-helixtrans-57.8-49.7172.5-92.4176000112.8V37 F42 M63 R64 A69 K70 L71 F125V37-L67 HydrophobicContact CG1-CD2 3.54Å; F42-L67 HydrophobicContact CB-CD1 4.39Å; F42-L67 HydrophobicContact CD1-CD1 3.49Å; F42-L67 VanDerWaalsContact CD1-CD1 3.49Å; F42-L67 HydrophobicContact CD1-CD2 4.38Å; F42-L67 HydrophobicContact CD1-CG 3.78Å; F42-L67 HydrophobicContact CD2-CD1 3.82Å; F42-L67 HydrophobicContact CD2-CD2 3.86Å; F42-L67 HydrophobicContact CD2-CG 4.1Å; F42-L67 HydrophobicContact CE1-CD1 3.66Å; F42-L67 HydrophobicContact CE1-CD2 3.84Å; F42-L67 HydrophobicContact CE1-CG 3.35Å; F42-L67 HydrophobicContact CE2-CD1 3.94Å; F42-L67 HydrophobicContact CE2-CD2 3.18Å; F42-L67 HydrophobicContact CE2-CG 3.67Å; F42-L67 HydrophobicContact CG-CD1 3.61Å; F42-L67 HydrophobicContact CG-CD2 4.43Å; F42-L67 HydrophobicContact CG-CG 4.16Å; F42-L67 HydrophobicContact CZ-CD1 3.89Å; F42-L67 HydrophobicContact CZ-CD2 3.19Å; F42-L67 HydrophobicContact CZ-CG 3.29Å; M63-L67 PolarHBondContact O-N 3.45Å; R64-L67 WeakPolarHBondContact O-CB 3.41Å; R64-L67 PolarHBondContact O-N 3.27Å; L67-A69 PolarHBondContact O-N 2.94Å; L67-K70 PolarHBondContact O-N 2.82Å; L67-K70 VanDerWaalsContact O-N 3.12Å; L67-L71 WeakPolarHBondContact O-CB 3.44Å; L67-L71 VanDerWaalsContact O-CG 3.25Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 3.43Å; L67-F125 HydrophobicContact CB-CZ 4.33Å; L67-F125 HydrophobicContact CD1-CE2 3.95Å; L67-F125 HydrophobicContact CD1-CZ 4Å
68I90.6Very high88.6Confident73 Ų7375.8 Ų75.837%0.37440%0.395SS..Hα-helixtrans-60.2-39-179.4-69.2163.5000110.4R64 Q65 L71 E72 F125R64-I68 WeakPolarHBondContact O-CD1 3.28Å; R64-I68 VanDerWaalsContact O-CG1 3.23Å; R64-I68 WeakPolarHBondContact O-CG1 3.33Å; R64-I68 PolarHBondContact O-N 3.43Å; Q65-I68 PolarHBondContact O-N 3.26Å; I68-L71 CarbonylContact O-C 3.59Å; I68-L71 PolarHBondContact O-N 2.97Å; I68-E72 PolarHBondContact O-N 3.25Å; I68-F125 HydrophobicContact CD1-CE1 4.49Å; I68-F125 HydrophobicContact CG1-CE1 3.85Å
69A90.9Very high89Confident61 Ų6170.4 Ų70.450%0.50437%0.37SS..Hα-helixtrans-65.4-40.4175.400000112.5Q65 N66 L67 L71 E72Q65-A69 WeakPolarHBondContact O-CB 3.35Å; Q65-A69 PolarHBondContact O-N 3.44Å; N66-A69 PolarHBondContact O-N 3.11Å; L67-A69 PolarHBondContact O-N 2.94Å; A69-L71 VanDerWaalsContact C-N 3.26Å; A69-L71 PolarHBondContact O-N 3.38Å; A69-E72 WeakPolarHBondContact O-CB 3.37Å; A69-E72 PolarHBondContact O-N 3.38Å
70K90.2Very high89.5Confident93 Ų9368.4 Ų68.440%0.40436%0.361SS..Hα-helixtrans-70-21.5174.2-70.1-176.1177.8-175.90113.8Q35 V37 N66 L67 E72Q35-K70 PolarHBondContact OE1-O 3.36Å; V37-K70 HydrophobicContact CG2-CB 3.87Å; V37-K70 HydrophobicContact CG2-CD 4.45Å; N66-K70 WeakPolarHBondContact O-CG 3.42Å; N66-K70 PolarHBondContact O-N 2.98Å; N66-K70 VanDerWaalsContact OD1-CE 3.28Å; N66-K70 WeakPolarHBondContact OD1-CE 3.44Å; L67-K70 PolarHBondContact O-N 2.82Å; L67-K70 VanDerWaalsContact O-N 3.12Å; K70-E72 VanDerWaalsContact C-N 3.28Å
71L91.9Very high90.2Very high3 Ų367.1 Ų67.12%0.01636%0.364CS..THydrogen-bonded Turntrans-90.19.2175.7-65.6173.4000112.6V37 L67 I68 A69 L108 F121 F125 K128 F132V37-L71 HydrophobicContact CG2-CD2 4.25Å; L67-L71 WeakPolarHBondContact O-CB 3.44Å; L67-L71 VanDerWaalsContact O-CG 3.25Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 3.43Å; I68-L71 CarbonylContact O-C 3.59Å; I68-L71 PolarHBondContact O-N 2.97Å; A69-L71 VanDerWaalsContact C-N 3.26Å; A69-L71 PolarHBondContact O-N 3.38Å; L71-L108 HydrophobicContact CD2-CD1 3.93Å; L71-L108 HydrophobicContact CD2-CD2 3.48Å; L71-L108 VanDerWaalsContact CD2-CD2 3.48Å; L71-L108 HydrophobicContact CD2-CG 4.36Å; L71-F121 HydrophobicContact CD1-CE2 4.17Å; L71-F121 HydrophobicContact CD1-CZ 4.23Å; L71-F121 HydrophobicContact CD2-CE2 4.42Å; L71-F121 HydrophobicContact CD2-CZ 3.95Å; L71-F125 HydrophobicContact CD1-CB 3.89Å; L71-F125 HydrophobicContact CD1-CD1 3.71Å; L71-F125 HydrophobicContact CD1-CD2 4.46Å; L71-F125 HydrophobicContact CD1-CE1 4.35Å; L71-F125 HydrophobicContact CD1-CG 3.77Å; L71-K128 HydrophobicContact CB-CB 4.4Å; L71-K128 HydrophobicContact CD1-CB 4.5Å; L71-F132 VanDerWaalsContact O-CE2 3.27Å; L71-F132 WeakPolarHBondContact O-CE2 3.23Å
72E93.1Very high90.6Very high137 Ų13764.4 Ų64.464%0.6435%0.35SS*.SBendtrans-92120170.4-167.7168.7-173.300109.8Q35 I68 A69 K70Q35-E72 PolarHBondContact NE2-O 3.44Å; Q35-E72 PolarHBondContact OE1-O 3.01Å; Q35-E72 VanDerWaalsContact OE1-O 3.14Å; I68-E72 PolarHBondContact O-N 3.25Å; A69-E72 WeakPolarHBondContact O-CB 3.37Å; A69-E72 PolarHBondContact O-N 3.38Å; K70-E72 VanDerWaalsContact C-N 3.28Å
73P92.5Very high90.9Very high36 Ų3662.4 Ų62.423%0.23433%0.332CS..PPolyproline II helixtrans-63.9153.4-18027.7-35.3000110.9S75 T106 A131 F132P73-S75 PolarHBondContact O-N 2.8Å; P73-T106 HydrophobicContact CB-CG2 4.14Å; P73-A131 HydrophobicContact CG-CB 4.04Å; P73-F132 HydrophobicContact CB-CD1 4.15Å; P73-F132 HydrophobicContact CB-CE1 3.91Å; P73-F132 HydrophobicContact CB-CZ 4.29Å
74P92.4Very high91.4Very high14 Ų1463.8 Ų63.89%0.09134%0.34CS..PPolyproline II helixtrans-55.3140.4174.4-20.631.4000111.1F12 V33 Q35 L79F12-P74 HydrophobicContact CD2-CB 4.29Å; F12-P74 HydrophobicContact CD2-CG 3.88Å; F12-P74 HydrophobicContact CE2-CB 3.83Å; F12-P74 HydrophobicContact CE2-CG 3.92Å; F12-P74 HydrophobicContact CG-CG 4.45Å; F12-P74 HydrophobicContact CZ-CB 4.35Å; V33-P74 HydrophobicContact CG1-CG 4.46Å; Q35-P74 HydrophobicContact CG-CG 4.47Å; Q35-P74 VanDerWaalsContact NE2-CD 3.27Å; P74-L79 HydrophobicContact CB-CD2 4.16Å; P74-L79 HydrophobicContact CB-CG 4.38Å
75S92.1Very high91.8Very high54 Ų5462.5 Ų62.538%0.37834%0.34SS..PPolyproline II helixtrans-60.3142178.770.20000110.7P73 D77 V78 L79P73-S75 PolarHBondContact O-N 2.8Å; S75-D77 PolarHBondContact O-N 3.1Å; S75-V78 PolarHBondContact O-N 2.74Å; S75-V78 WeakPolarHBondContact OG-CB 3.48Å; S75-V78 WeakPolarHBondContact OG-CG2 3.39Å; S75-V78 PolarHBondContact OG-N 3.07Å; S75-L79 PolarHBondContact O-N 2.88Å
76P89.8Confident92Very high92 Ų9257 Ų5760%0.59732%0.315SS*.Hα-helixtrans-62-29.5-17925.5-34.5000112.1L79 Q80P76-L79 PolarHBondContact O-N 2.92Å; P76-Q80 WeakPolarHBondContact O-CG 3.3Å; P76-Q80 PolarHBondContact O-N 2.74Å
77D93.2Very high92.1Very high126 Ų12656 Ų5667%0.67431%0.314SS*.Hα-helixtrans-67.5-40.4179.5-60.2-31.2000111.7S75 L79 Q80 A81S75-D77 PolarHBondContact O-N 3.1Å; D77-L79 VanDerWaalsContact C-N 3.31Å; D77-L79 PolarHBondContact O-N 3.45Å; D77-Q80 PolarHBondContact O-N 2.88Å; D77-A81 PolarHBondContact O-N 3.46Å
78V93.9Very high92.2Very high56 Ų5660.9 Ų60.934%0.33934%0.344SS..Hα-helixtrans-62.1-41.5173.7169.10000110.6F12 S75 Q80 A81 Y82F12-V78 HydrophobicContact CE2-CG1 4.48Å; S75-V78 PolarHBondContact O-N 2.74Å; S75-V78 WeakPolarHBondContact OG-CB 3.48Å; S75-V78 WeakPolarHBondContact OG-CG2 3.39Å; S75-V78 PolarHBondContact OG-N 3.07Å; V78-Q80 PolarHBondContact O-N 2.87Å; V78-A81 WeakPolarHBondContact O-CB 3.4Å; V78-A81 PolarHBondContact O-N 2.95Å; V78-Y82 HydrophobicContact CG1-CD2 4.13Å; V78-Y82 HydrophobicContact CG1-CE2 3.56Å; V78-Y82 VanDerWaalsContact O-CD2 3.23Å; V78-Y82 WeakPolarHBondContact O-CD2 3.38Å; V78-Y82 PolarHBondContact O-N 3.18Å; V78-Y82 VanDerWaalsContact O-N 3.12Å
79L92.5Very high92.2Very high14 Ų1460.8 Ų60.87%0.07334%0.341CS..Hα-helixtrans-66.1-38.2176.9-59.1-178.7000112.2V33 P74 S75 P76 D77 Y82 I83 I104 T106V33-L79 HydrophobicContact CG2-CD2 4.27Å; P74-L79 HydrophobicContact CB-CD2 4.16Å; P74-L79 HydrophobicContact CB-CG 4.38Å; S75-L79 PolarHBondContact O-N 2.88Å; P76-L79 PolarHBondContact O-N 2.92Å; D77-L79 VanDerWaalsContact C-N 3.31Å; D77-L79 PolarHBondContact O-N 3.45Å; L79-Y82 PolarHBondContact O-N 3.05Å; L79-I83 WeakPolarHBondContact O-CG1 3.43Å; L79-I83 PolarHBondContact O-N 2.93Å; L79-I104 HydrophobicContact CD1-CG2 4.07Å; L79-I104 HydrophobicContact CD2-CG2 4.14Å; L79-I104 HydrophobicContact CG-CG2 4.49Å; L79-T106 HydrophobicContact CD1-CG2 4.06Å
80Q91.9Very high92.1Very high59 Ų5959.1 Ų59.128%0.27632%0.321SS..Hα-helixtrans-67.7-36.2173.8-68.9-59.3-31.200112.3P76 D77 V78 Y82 I83 N84P76-Q80 WeakPolarHBondContact O-CG 3.3Å; P76-Q80 PolarHBondContact O-N 2.74Å; D77-Q80 PolarHBondContact O-N 2.88Å; V78-Q80 PolarHBondContact O-N 2.87Å; Q80-Y82 PolarHBondContact O-N 3.31Å; Q80-I83 PolarHBondContact O-N 3.22Å; Q80-N84 VanDerWaalsContact O-CG 3.29Å; Q80-N84 PolarHBondContact O-N 2.61Å; Q80-N84 PolarHBondContact O-ND2 2.91Å
81A94.1Very high91.9Very high38 Ų3857.7 Ų57.731%0.31433%0.327SS..Hα-helixtrans-58.5-47.5174.300000110.9D77 V78 I83 N84 E85D77-A81 PolarHBondContact O-N 3.46Å; V78-A81 WeakPolarHBondContact O-CB 3.4Å; V78-A81 PolarHBondContact O-N 2.95Å; A81-I83 VanDerWaalsContact C-N 3.32Å; A81-I83 PolarHBondContact O-N 2.88Å; A81-N84 PolarHBondContact O-N 2.9Å; A81-N84 VanDerWaalsContact O-N 3.16Å; A81-E85 WeakPolarHBondContact O-CB 3.44Å; A81-E85 WeakPolarHBondContact O-CG 3.5Å; A81-E85 PolarHBondContact O-N 2.83Å
82Y94Very high91.7Very high47 Ų4761.9 Ų61.918%0.18436%0.356CS..Hα-helixtrans-58.6-40.7175.1-70.6-54.9000113.2F12 M15 V78 L79 Q80 S86F12-Y82 HydrophobicContact CE2-CE2 4.48Å; M15-Y82 HydrophobicContact CB-CE2 4.39Å; V78-Y82 HydrophobicContact CG1-CD2 4.13Å; V78-Y82 HydrophobicContact CG1-CE2 3.56Å; V78-Y82 VanDerWaalsContact O-CD2 3.23Å; V78-Y82 WeakPolarHBondContact O-CD2 3.38Å; V78-Y82 PolarHBondContact O-N 3.18Å; V78-Y82 VanDerWaalsContact O-N 3.12Å; L79-Y82 PolarHBondContact O-N 3.05Å; Q80-Y82 PolarHBondContact O-N 3.31Å; Y82-S86 WeakPolarHBondContact O-CB 3.37Å; Y82-S86 PolarHBondContact O-N 3.2Å; Y82-S86 PolarHBondContact O-OG 3.45Å
83I92.6Very high91.2Very high12 Ų1260.1 Ų60.16%0.06236%0.355CS..Hα-helixtrans-61.4-48.8176.5-66.2170000110L20 L79 Q80 A81 S86 S87 P102 I104L20-I83 HydrophobicContact CD2-CG1 4.2Å; L79-I83 WeakPolarHBondContact O-CG1 3.43Å; L79-I83 PolarHBondContact O-N 2.93Å; Q80-I83 PolarHBondContact O-N 3.22Å; A81-I83 VanDerWaalsContact C-N 3.32Å; A81-I83 PolarHBondContact O-N 2.88Å; I83-S86 PolarHBondContact O-N 3.14Å; I83-S86 PolarHBondContact O-OG 2.76Å; I83-S87 PolarHBondContact O-N 3.32Å; I83-P102 HydrophobicContact CD1-CG 4.5Å; I83-P102 HydrophobicContact CG1-CG 4.24Å; I83-P102 HydrophobicContact CG2-CG 4Å; I83-I104 HydrophobicContact CD1-CD1 3.83Å; I83-I104 HydrophobicContact CD1-CG1 4.11Å; I83-I104 HydrophobicContact CG1-CD1 3.55Å; I83-I104 HydrophobicContact CG1-CG1 4.25Å
84N93Very high90.2Very high91 Ų9161.4 Ų61.449%0.48737%0.365SS..Hα-helixtrans-63.2-50-179.3-66.6-21.1000111.2Q80 A81 S86 S87 V88Q80-N84 VanDerWaalsContact O-CG 3.29Å; Q80-N84 PolarHBondContact O-N 2.61Å; Q80-N84 PolarHBondContact O-ND2 2.91Å; A81-N84 PolarHBondContact O-N 2.9Å; A81-N84 VanDerWaalsContact O-N 3.16Å; N84-S86 VanDerWaalsContact C-N 3.33Å; N84-S86 PolarHBondContact O-N 2.75Å; N84-S87 WeakPolarHBondContact O-CB 3.24Å; N84-S87 PolarHBondContact O-N 3.04Å; N84-S87 VanDerWaalsContact O-N 3.09Å; N84-S87 PolarHBondContact O-OG 3.5Å; N84-V88 WeakPolarHBondContact O-CG2 3.16Å; N84-V88 PolarHBondContact O-N 2.78Å
85E93.9Very high89.1Confident104 Ų10470.1 Ų70.149%0.48640%0.401SS..Hα-helixtrans-60.4-41.1177.9-70.7174.9-164.600112.2A17 A81 S87 V88 F89A17-E85 HydrophobicContact CB-CB 3.58Å; A81-E85 WeakPolarHBondContact O-CB 3.44Å; A81-E85 WeakPolarHBondContact O-CG 3.5Å; A81-E85 PolarHBondContact O-N 2.83Å; E85-S87 VanDerWaalsContact C-N 3.29Å; E85-S87 PolarHBondContact O-N 2.93Å; E85-V88 PolarHBondContact O-N 2.76Å; E85-F89 WeakPolarHBondContact O-CB 3.17Å; E85-F89 PolarHBondContact O-N 2.89Å
86S92.9Very high87.8Confident1 Ų170.7 Ų70.71%0.00740%0.404CS..Hα-helixtrans-63.9-35.5175.975.30000111.9A17 Y82 I83 N84 F89 R90A17-S86 WeakPolarHBondContact O-CB 3.35Å; Y82-S86 WeakPolarHBondContact O-CB 3.37Å; Y82-S86 PolarHBondContact O-N 3.2Å; Y82-S86 PolarHBondContact O-OG 3.45Å; I83-S86 PolarHBondContact O-N 3.14Å; I83-S86 PolarHBondContact O-OG 2.76Å; N84-S86 VanDerWaalsContact C-N 3.33Å; N84-S86 PolarHBondContact O-N 2.75Å; S86-F89 PolarHBondContact O-N 2.94Å; S86-R90 WeakPolarHBondContact O-CB 3.11Å; S86-R90 WeakPolarHBondContact O-CG 3.27Å; S86-R90 PolarHBondContact O-N 3.03Å
87S90.1Very high86.4Confident64 Ų6471.2 Ų71.245%0.44842%0.416SS..Hα-helixtrans-68.5-40.1177.175.80000112.1I83 N84 E85 R90 A91I83-S87 PolarHBondContact O-N 3.32Å; N84-S87 WeakPolarHBondContact O-CB 3.24Å; N84-S87 PolarHBondContact O-N 3.04Å; N84-S87 VanDerWaalsContact O-N 3.09Å; N84-S87 PolarHBondContact O-OG 3.5Å; E85-S87 VanDerWaalsContact C-N 3.29Å; E85-S87 PolarHBondContact O-N 2.93Å; S87-R90 PolarHBondContact O-N 3.43Å; S87-A91 WeakPolarHBondContact O-CB 3.36Å; S87-A91 PolarHBondContact O-N 2.99Å
88V90.9Very high84.9Confident104 Ų10469.9 Ų69.963%0.6341%0.408SS*.Hα-helixtrans-63.9-46.2174.61740000110.2N84 E85 R90 A91 S92N84-V88 WeakPolarHBondContact O-CG2 3.16Å; N84-V88 PolarHBondContact O-N 2.78Å; E85-V88 PolarHBondContact O-N 2.76Å; V88-R90 PolarHBondContact O-N 3.23Å; V88-A91 PolarHBondContact O-N 3.22Å; V88-S92 PolarHBondContact O-N 3.2Å; V88-S92 VanDerWaalsContact O-N 3.12Å
89F89.9Confident83.4Confident70 Ų7073.3 Ų73.331%0.30743%0.434SS..Hα-helixtrans-59.6-48.1176.7179.5-98.4000111.6H18 A21 E85 S86 A91 S92 V93H18-F89 AromaticContact CD2-CD2 3.72Å; H18-F89 AromaticContact CD2-CE2 3.28Å; H18-F89 WeakPolarHBondContact CD2-CE2 3.21Å; H18-F89 AromaticContact CD2-CZ 3.47Å; H18-F89 VanDerWaalsContact CD2-CZ 3.47Å; H18-F89 WeakPolarHBondContact CD2-CZ 3.35Å; H18-F89 AromaticContact NE2-CD2 3.65Å; H18-F89 AromaticContact NE2-CE2 3.39Å; H18-F89 WeakPolarHBondContact NE2-CE2 3.5Å; A21-F89 HydrophobicContact CB-CD1 3.66Å; A21-F89 HydrophobicContact CB-CE1 4.25Å; E85-F89 WeakPolarHBondContact O-CB 3.17Å; E85-F89 PolarHBondContact O-N 2.89Å; S86-F89 PolarHBondContact O-N 2.94Å; F89-A91 PolarHBondContact O-N 2.61Å; F89-S92 WeakPolarHBondContact O-CB 3.37Å; F89-S92 PolarHBondContact O-N 3.44Å; F89-S92 VanDerWaalsContact O-N 3.13Å; F89-S92 PolarHBondContact O-OG 3.26Å; F89-V93 HydrophobicContact CE1-CG2 4.23Å; F89-V93 HydrophobicContact CE2-CG2 4.42Å; F89-V93 HydrophobicContact CZ-CG2 4.04Å; F89-V93 PolarHBondContact O-N 3.31Å
90R88.4Confident82.3Confident26 Ų2674.6 Ų74.610%0.09844%0.444CS..Hα-helixtrans-59.8-45.4177.8-70.9172.379.4-151.22.5111.6A21 D25 S86 S87 V88 S92 V93 S94A21-R90 HydrophobicContact CB-CG 3.62Å; D25-R90 IonicContact OD1-CZ 2.71Å; D25-R90 VanDerWaalsContact OD1-CZ 3.23Å; D25-R90 IonicContact OD1-NE 3.24Å; D25-R90 PolarHBondContact OD1-NE 3.5Å; D25-R90 IonicContact OD1-NH2 3.22Å; D25-R90 PolarHBondContact OD1-NH2 3.14Å; S86-R90 WeakPolarHBondContact O-CB 3.11Å; S86-R90 WeakPolarHBondContact O-CG 3.27Å; S86-R90 PolarHBondContact O-N 3.03Å; S87-R90 PolarHBondContact O-N 3.43Å; V88-R90 PolarHBondContact O-N 3.23Å; R90-S92 PolarHBondContact O-N 2.86Å; R90-V93 PolarHBondContact O-N 3.1Å; R90-V93 VanDerWaalsContact O-N 3.08Å; R90-S94 CarbonylContact C-O 3.6Å; R90-S94 CarbonylContact O-C 3.17Å; R90-S94 PolarHBondContact O-N 3.15Å
91A86.8Confident81.8Confident63 Ų6377.8 Ų77.852%0.52145%0.454SS..Hα-helixtrans-59.5-29.9177.700000113.2S87 V88 F89S87-A91 WeakPolarHBondContact O-CB 3.36Å; S87-A91 PolarHBondContact O-N 2.99Å; V88-A91 PolarHBondContact O-N 3.22Å; F89-A91 PolarHBondContact O-N 2.61Å
92S87.2Confident81.5Confident91 Ų9176.7 Ų76.764%0.63644%0.443SS*.Hα-helixtrans-72.8-29176.678.20000114V88 F89 R90V88-S92 PolarHBondContact O-N 3.2Å; V88-S92 VanDerWaalsContact O-N 3.12Å; F89-S92 WeakPolarHBondContact O-CB 3.37Å; F89-S92 PolarHBondContact O-N 3.44Å; F89-S92 VanDerWaalsContact O-N 3.13Å; F89-S92 PolarHBondContact O-OG 3.26Å; R90-S92 PolarHBondContact O-N 2.86Å
93V82.3Confident81.3Confident100 Ų10076.4 Ų76.461%0.60644%0.442SS*.Hα-helixtrans-96.6-43.6-175.3-179.90000111.3F89 R90F89-V93 HydrophobicContact CE1-CG2 4.23Å; F89-V93 HydrophobicContact CE2-CG2 4.42Å; F89-V93 HydrophobicContact CZ-CG2 4.04Å; F89-V93 PolarHBondContact O-N 3.31Å; R90-V93 PolarHBondContact O-N 3.1Å; R90-V93 VanDerWaalsContact O-N 3.08Å
94S72.2Confident81.3Confident64 Ų6477.2 Ų77.245%0.44845%0.446SS..SBendtrans-165.4144.3-178.661.20000112.2R90R90-S94 CarbonylContact C-O 3.6Å; R90-S94 CarbonylContact O-C 3.17Å; R90-S94 PolarHBondContact O-N 3.15Å
95F69.9Low81.3Confident196 Ų19673.2 Ų73.286%0.8642%0.424SS*.  trans-60.3126.4174.5-65.9-78.3000111.2A97F95-A97 PolarHBondContact O-N 3.03Å
96P63.9Low81.4Confident66 Ų6668.9 Ų68.943%0.42941%0.405SS..  trans-66.4124.9-178.125.1-32.1000110.5I98P96-I98 PolarHBondContact O-N 2.81Å
97A60.3Low81.6Confident103 Ų10368.9 Ų68.985%0.85140%0.404SS*.SBendtrans-66.1-19.6-177.800000114.2F95F95-A97 PolarHBondContact O-N 3.03Å
98I61.4Low81.9Confident99 Ų9965.8 Ų65.851%0.50838%0.383SS..  trans-140129.2-173.7-56.5172.2000110.1Y29 P96 C100Y29-I98 WeakPolarHBondContact OH-CB 3.23Å; P96-I98 PolarHBondContact O-N 2.81Å; I98-C100 VanDerWaalsContact C-N 3.29Å; I98-C100 HydrophobicContact CG2-CB 4.12Å; I98-C100 PolarHBondContact O-N 2.89Å
99S62.7Low82.1Confident128 Ų12860.9 Ų60.990%0.89535%0.353SS*.  trans-83.320.6-176.3178.60000114.6R101S99-R101 PolarHBondContact O-N 3.22Å
100C69Low82.4Confident40 Ų4057.6 Ų57.627%0.2734%0.339SS..PPolyproline II helixtrans-77.1119-177.8-168.20000110.3Y29 I98Y29-C100 HydrophobicContact CD1-CB 3.82Å; Y29-C100 WeakPolarHBondContact CD1-O 3.31Å; Y29-C100 HydrophobicContact CE1-CB 3.8Å; Y29-C100 HydrophobicContact CG-CB 4.31Å; I98-C100 VanDerWaalsContact C-N 3.29Å; I98-C100 HydrophobicContact CG2-CB 4.12Å; I98-C100 PolarHBondContact O-N 2.89Å
101R81.2Confident82.7Confident127 Ų12758.5 Ų58.548%0.47934%0.343SS..PPolyproline II helixtrans-66.1124.1173.7-173.9176.9-175.8157.73.2108.9S99S99-R101 PolarHBondContact O-N 3.22Å
102P88.7Confident83Confident14 Ų1455.5 Ų55.59%0.09132%0.318CS..PPolyproline II helixtrans-68.3153.4178.328.9-34.7000112L24 Y29 I83L24-P102 HydrophobicContact CD1-CG 4.05Å; L24-P102 HydrophobicContact CD2-CB 3.43Å; L24-P102 VanDerWaalsContact CD2-CB 3.43Å; L24-P102 HydrophobicContact CD2-CG 3.85Å; Y29-P102 CarbonylContact O-C 3.54Å; Y29-P102 WeakPolarHBondContact O-CA 3.18Å; I83-P102 HydrophobicContact CD1-CG 4.5Å; I83-P102 HydrophobicContact CG1-CG 4.24Å; I83-P102 HydrophobicContact CG2-CG 4Å
103R89.1Confident83.3Confident42 Ų4255.2 Ų55.216%0.15831%0.309CS..EExtended strand (participates in β ladder)trans-112.3124.9172.8-67.1-168.9-179.8-81.84.2108.9Y29 Y30 V31 F105 K288 L290 M292 V295Y29-R103 PolarHBondContact O-N 2.96Å; Y30-R103 WeakPolarHBondContact CA-O 3.13Å; Y30-R103 HydrophobicContact CD1-CB 4.23Å; Y30-R103 HydrophobicContact CE1-CB 4.44Å; Y30-R103 HydrophobicContact CE1-CG 4.39Å; V31-R103 PolarHBondContact N-O 2.99Å; R103-F105 HydrophobicContact CB-CE2 4.18Å; R103-F105 HydrophobicContact CB-CZ 4.21Å; R103-K288 WeakPolarHBondContact CD-O 3.39Å; R103-K288 PolarHBondContact NE-O 3.19Å; R103-L290 PolarHBondContact NH2-O 3.02Å; R103-M292 PolarHBondContact NH2-O 3.02Å; R103-M292 VanDerWaalsContact NH2-O 3.12Å; R103-V295 PolarHBondContact NH1-O 3.27Å; R103-V295 PolarHBondContact NH2-O 3.43Å
104I93Very high83.7Confident28 Ų2853.2 Ų53.214%0.14430%0.295CS..EExtended strand (participates in β ladder)trans-106.5126.8175.8-57.7-179.6000108.5L20 V31 V33 L79 I83L20-I104 HydrophobicContact CD1-CD1 4.41Å; L20-I104 HydrophobicContact CD2-CD1 3.92Å; V31-I104 CarbonylContact O-C 3.57Å; V31-I104 VanDerWaalsContact O-CA 3.23Å; V31-I104 WeakPolarHBondContact O-CA 3.48Å; V33-I104 HydrophobicContact CB-CG2 4.33Å; V33-I104 HydrophobicContact CG2-CG2 3.51Å; L79-I104 HydrophobicContact CD1-CG2 4.07Å; L79-I104 HydrophobicContact CD2-CG2 4.14Å; L79-I104 HydrophobicContact CG-CG2 4.49Å; I83-I104 HydrophobicContact CD1-CD1 3.83Å; I83-I104 HydrophobicContact CD1-CG1 4.11Å; I83-I104 HydrophobicContact CG1-CD1 3.55Å; I83-I104 HydrophobicContact CG1-CG1 4.25Å
105F94.2Very high84.6Confident8 Ų851.3 Ų51.34%0.03528%0.283CS..EExtended strand (participates in β ladder)trans-104.8156.4174.8-58.6-79.4000110.4Y30 V31 A32 V33 R103 D133 I134 V270 L274Y30-F105 AromaticContact CD1-CE2 3.91Å; Y30-F105 HydrophobicContact CD1-CE2 3.91Å; Y30-F105 HydrophobicContact CD1-CZ 4.13Å; V31-F105 PolarHBondContact O-N 3.43Å; A32-F105 CarbonylContact C-O 3.57Å; A32-F105 WeakPolarHBondContact CA-O 3.26Å; A32-F105 HydrophobicContact CB-CB 3.95Å; V33-F105 PolarHBondContact N-O 2.84Å; R103-F105 HydrophobicContact CB-CE2 4.18Å; R103-F105 HydrophobicContact CB-CZ 4.21Å; F105-D133 HydrophobicContact CB-CB 4.16Å; F105-D133 HydrophobicContact CD1-CB 4.22Å; F105-I134 HydrophobicContact CB-CD1 4.5Å; F105-V270 HydrophobicContact CD1-CG1 4.03Å; F105-V270 HydrophobicContact CE1-CG1 3.67Å; F105-V270 HydrophobicContact CE2-CG1 4.28Å; F105-V270 HydrophobicContact CG-CG1 4.48Å; F105-V270 HydrophobicContact CZ-CG1 3.81Å; F105-L274 HydrophobicContact CE1-CD1 4.48Å
106T95.2Very high85.6Confident13 Ų1347.7 Ų47.78%0.0827%0.269CS..EExtended strand (participates in β ladder)trans-97.7130.8174.255.20000110.2P73 L79 D133 I134P73-T106 HydrophobicContact CB-CG2 4.14Å; L79-T106 HydrophobicContact CD1-CG2 4.06Å; T106-D133 PolarHBondContact N-OD2 2.81Å; T106-D133 PolarHBondContact O-N 2.59Å; T106-D133 PolarHBondContact OG1-N 3.05Å; T106-D133 VanDerWaalsContact OG1-N 3.16Å; T106-D133 PolarHBondContact OG1-OD2 3.44Å; T106-I134 PolarHBondContact O-N 3.32Å
107R96.3Very high86.9Confident0 Ų045.6 Ų45.60%025%0.254CS..EExtended strand (participates in β ladder)trans-125.8139.1179.3171.9-179.4159.9167.60.1111.2L8 D9 A32 V33 S34 Q35 T109 I134 S159 E186L8-R107 WeakPolarHBondContact O-CD 3.48Å; L8-R107 PolarHBondContact O-NH1 3.26Å; D9-R107 IonicContact OD1-CZ 3.72Å; D9-R107 IonicContact OD1-NE 4Å; D9-R107 IonicContact OD1-NH1 3.8Å; D9-R107 IonicContact OD2-CZ 3.85Å; D9-R107 IonicContact OD2-NH1 3.8Å; D9-R107 IonicContact OD2-NH2 2.83Å; A32-R107 HydrophobicContact CB-CB 4.15Å; V33-R107 PolarHBondContact O-N 3.29Å; S34-R107 CarbonylContact C-O 3.58Å; S34-R107 VanDerWaalsContact CA-O 3.32Å; S34-R107 WeakPolarHBondContact CA-O 3.45Å; Q35-R107 PolarHBondContact N-O 3.02Å; R107-T109 PolarHBondContact NE-OG1 2.73Å; R107-T109 PolarHBondContact NH2-OG1 2.92Å; R107-I134 CarbonylContact C-O 3.51Å; R107-I134 VanDerWaalsContact CA-O 3.26Å; R107-I134 WeakPolarHBondContact CA-O 3.21Å; R107-I134 HydrophobicContact CB-CB 4.14Å; R107-I134 HydrophobicContact CG-CB 4.24Å; R107-I134 HydrophobicContact CG-CG2 4.25Å; R107-S159 PolarHBondContact NH2-OG 2.83Å; R107-E186 IonicContact CZ-OE1 3.71Å; R107-E186 IonicContact CZ-OE2 3.26Å; R107-E186 VanDerWaalsContact CZ-OE2 3.26Å; R107-E186 IonicContact NH1-OE1 2.69Å; R107-E186 PolarHBondContact NH1-OE1 3.44Å; R107-E186 IonicContact NH1-OE2 2.99Å; R107-E186 PolarHBondContact NH1-OE2 3.31Å; R107-E186 IonicContact NH2-OE1 3.61Å; R107-E186 IonicContact NH2-OE2 3.81Å; R107-E186 PolarHBondContact NH2-OE2 2.56Å
108L96.7Very high88.5Confident0 Ų040.7 Ų40.70%021%0.214CC..EExtended strand (participates in β ladder)trans-107.8133166-178.668.3000109.9Q35 V37 L71 I110 L129 F132 I134 V135 S136Q35-L108 CarbonylContact O-C 3.59Å; V37-L108 HydrophobicContact CG2-CD1 3.82Å; L71-L108 HydrophobicContact CD2-CD1 3.93Å; L71-L108 HydrophobicContact CD2-CD2 3.48Å; L71-L108 VanDerWaalsContact CD2-CD2 3.48Å; L71-L108 HydrophobicContact CD2-CG 4.36Å; L108-I110 HydrophobicContact CD2-CD1 4.1Å; L108-I110 HydrophobicContact CD2-CG1 3.94Å; L108-I110 HydrophobicContact CG-CG1 4.03Å; L108-L129 HydrophobicContact CD2-CD2 3.55Å; L108-F132 HydrophobicContact CB-CB 4.42Å; L108-F132 HydrophobicContact CB-CD1 3.83Å; L108-F132 HydrophobicContact CB-CD2 3.91Å; L108-F132 HydrophobicContact CB-CE1 3.99Å; L108-F132 HydrophobicContact CB-CE2 4.07Å; L108-F132 HydrophobicContact CB-CG 3.78Å; L108-F132 HydrophobicContact CB-CZ 4.11Å; L108-F132 HydrophobicContact CD1-CE1 4.46Å; L108-F132 HydrophobicContact CD1-CE2 4.32Å; L108-F132 HydrophobicContact CD1-CZ 4.06Å; L108-F132 HydrophobicContact CD2-CD2 4.21Å; L108-F132 HydrophobicContact CD2-CE2 4.06Å; L108-F132 HydrophobicContact CG-CE2 4.38Å; L108-F132 HydrophobicContact CG-CZ 4.48Å; L108-I134 PolarHBondContact N-O 2.69Å; L108-V135 HydrophobicContact CB-CG2 4.4Å; L108-V135 WeakPolarHBondContact O-CA 3.28Å; L108-S136 PolarHBondContact O-N 3.23Å
109T96.7Very high89.9Confident1 Ų136.6 Ų36.61%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-114.9117172.6-57.70000109.5Q35 S36 V37 R107 Y111 S136 C138Q35-T109 PolarHBondContact O-N 2.95Å; S36-T109 WeakPolarHBondContact CA-O 3.48Å; V37-T109 PolarHBondContact N-O 3.22Å; R107-T109 PolarHBondContact NE-OG1 2.73Å; R107-T109 PolarHBondContact NH2-OG1 2.92Å; T109-Y111 HydrophobicContact CG2-CD2 4.17Å; T109-Y111 HydrophobicContact CG2-CE2 3.56Å; T109-S136 WeakPolarHBondContact CA-O 3.41Å; T109-C138 HydrophobicContact CG2-CB 4.12Å
110I95.7Very high91.3Very high0 Ų033.3 Ų33.30%017%0.168CC..EExtended strand (participates in β ladder)trans-102.2109.3-175.5-57.9167.6000108.9V39 L108 F121 F122 L129 V135 S136 F137 C138V39-I110 HydrophobicContact CG2-CG2 3.26Å; L108-I110 HydrophobicContact CD2-CD1 4.1Å; L108-I110 HydrophobicContact CD2-CG1 3.94Å; L108-I110 HydrophobicContact CG-CG1 4.03Å; I110-F121 HydrophobicContact CD1-CD1 4.42Å; I110-F121 HydrophobicContact CD1-CE1 3.6Å; I110-F121 HydrophobicContact CD1-CZ 4.22Å; I110-F121 HydrophobicContact CG1-CE1 4.24Å; I110-F121 HydrophobicContact CG1-CZ 4.46Å; I110-F121 HydrophobicContact CG2-CE1 4.34Å; I110-F122 HydrophobicContact CD1-CE1 4.1Å; I110-F122 HydrophobicContact CD1-CZ 3.92Å; I110-L129 HydrophobicContact CD1-CD2 4.24Å; I110-V135 HydrophobicContact CD1-CG1 3.67Å; I110-V135 HydrophobicContact CG1-CG1 4.46Å; I110-S136 PolarHBondContact N-O 3.16Å; I110-F137 HydrophobicContact CB-CD2 4.09Å; I110-F137 HydrophobicContact CG2-CD2 4.01Å; I110-F137 HydrophobicContact CG2-CE2 4.09Å; I110-C138 PolarHBondContact O-N 2.95Å
111Y94.9Very high92.4Very high45 Ų4531.4 Ų31.418%0.17616%0.155CC..EExtended strand (participates in β ladder)trans-86.8131.5174.3-68.8-93.6000110.4V37 V39 T109 C138V37-Y111 PolarHBondContact O-N 3.3Å; V39-Y111 WeakPolarHBondContact CB-O 3.5Å; V39-Y111 PolarHBondContact N-O 2.88Å; T109-Y111 HydrophobicContact CG2-CD2 4.17Å; T109-Y111 HydrophobicContact CG2-CE2 3.56Å; Y111-C138 WeakPolarHBondContact CA-O 3.48Å; Y111-C138 HydrophobicContact CD1-CB 3.61Å; Y111-C138 VanDerWaalsContact CD1-SG 3.59Å; Y111-C138 HydrophobicContact CE1-CB 3.7Å; Y111-C138 WeakPolarHBondContact CE1-SG 3.34Å; Y111-C138 HydrophobicContact CG-CB 4.12Å
112C93.3Very high92.9Very high0 Ų025.8 Ų25.80%013%0.134CC..EExtended strand (participates in β ladder)trans-151141.2179.9-160.30000112.6V39 D40 N114 F137 C138 P139 T140V39-C112 HydrophobicContact CB-CB 4.28Å; D40-C112 WeakPolarHBondContact OD2-CA 3.14Å; C112-N114 PolarHBondContact SG-O 2.7Å; C112-F137 HydrophobicContact CB-CE1 4.28Å; C112-F137 HydrophobicContact CB-CE2 3.87Å; C112-F137 HydrophobicContact CB-CZ 3.48Å; C112-F137 VanDerWaalsContact CB-CZ 3.48Å; C112-C138 PolarHBondContact N-O 3Å; C112-C138 VanDerWaalsContact N-O 3.1Å; C112-P139 CarbonylContact O-C 3.48Å; C112-P139 WeakPolarHBondContact O-CA 3.37Å; C112-T140 PolarHBondContact O-N 3Å; C112-T140 PolarHBondContact O-OG1 3.03Å; C112-T140 VanDerWaalsContact O-OG1 3.07Å
113N92.1Very high93Very high85 Ų8535 Ų3546%0.45517%0.167SC..SBendtrans-109-43.4175.7-170.712.8000110.7D40 T140 S141D40-N113 VanDerWaalsContact CG-N 3.26Å; D40-N113 PolarHBondContact OD1-N 3.43Å; D40-N113 VanDerWaalsContact OD1-N 3.07Å; D40-N113 WeakPolarHBondContact OD2-CB 3.15Å; D40-N113 PolarHBondContact OD2-N 2.77Å; N113-T140 WeakPolarHBondContact CA-OG1 3.32Å; N113-T140 WeakPolarHBondContact CB-OG1 3.26Å; N113-T140 PolarHBondContact N-OG1 3.21Å; N113-S141 PolarHBondContact O-OG 2.86Å; N113-S141 VanDerWaalsContact OD1-CB 3.26Å; N113-S141 WeakPolarHBondContact OD1-CB 3.34Å
114N91.4Very high92.9Very high59 Ų5936.5 Ų36.532%0.31618%0.176SC..  trans-94.6121.7179.3-171.8-5.6000112.5D40 C112 E116 N117 A118D40-N114 PolarHBondContact OD1-N 2.92Å; C112-N114 PolarHBondContact SG-O 2.7Å; N114-E116 VanDerWaalsContact C-N 3.26Å; N114-E116 PolarHBondContact O-N 3.39Å; N114-E116 PolarHBondContact OD1-N 2.96Å; N114-N117 HydrophobicContact CB-CB 4.22Å; N114-N117 PolarHBondContact O-N 3.19Å; N114-A118 PolarHBondContact O-N 3.27Å; N114-A118 VanDerWaalsContact O-N 3.13Å
115A92.1Very high92.8Very high24 Ų2435.6 Ų35.620%0.19817%0.171CC..Hα-helixtrans-59.7-31.5176.200000113.9A118 G119 Y147A115-A118 WeakPolarHBondContact O-CB 3.42Å; A115-A118 PolarHBondContact O-N 3.2Å; A115-G119 PolarHBondContact O-N 2.93Å; A115-G119 VanDerWaalsContact O-N 3.07Å; A115-Y147 HydrophobicContact CB-CD2 4.39Å; A115-Y147 HydrophobicContact CB-CG 4.23Å
116E90.7Very high92.5Very high120 Ų12039.2 Ų39.256%0.56119%0.188SC*.Hα-helixtrans-70-44.8179.3-65176.116000111.2N114 A118 G119 L120N114-E116 VanDerWaalsContact C-N 3.26Å; N114-E116 PolarHBondContact O-N 3.39Å; N114-E116 PolarHBondContact OD1-N 2.96Å; E116-A118 VanDerWaalsContact C-N 3.29Å; E116-A118 PolarHBondContact O-N 3.31Å; E116-G119 WeakPolarHBondContact O-CA 3.01Å; E116-G119 PolarHBondContact O-N 3.06Å; E116-G119 VanDerWaalsContact O-N 3.08Å; E116-L120 WeakPolarHBondContact O-CG 3.39Å; E116-L120 PolarHBondContact O-N 3.41Å
117N91.2Very high92.2Very high21 Ų2146.1 Ų46.111%0.11222%0.224CC..Hα-helixtrans-61.1-39.8174.7-70.7-13.9000111.3V39 F44 N114 G119 L120 F121V39-N117 HydrophobicContact CG1-CB 4.03Å; F44-N117 HydrophobicContact CD2-CB 4.19Å; F44-N117 HydrophobicContact CE2-CB 4.4Å; N114-N117 HydrophobicContact CB-CB 4.22Å; N114-N117 PolarHBondContact O-N 3.19Å; N117-G119 VanDerWaalsContact C-N 3.34Å; N117-G119 PolarHBondContact O-N 3.49Å; N117-L120 PolarHBondContact O-N 2.93Å; N117-F121 WeakPolarHBondContact O-CB 3.21Å; N117-F121 PolarHBondContact O-N 3.45Å
118A92.1Very high91.9Very high0 Ų050.9 Ų50.90%025%0.245CC..Hα-helixtrans-57.6-47.8172.200000111.2N114 A115 E116 L120 F121 F122 F137 Y147N114-A118 PolarHBondContact O-N 3.27Å; N114-A118 VanDerWaalsContact O-N 3.13Å; A115-A118 WeakPolarHBondContact O-CB 3.42Å; A115-A118 PolarHBondContact O-N 3.2Å; E116-A118 VanDerWaalsContact C-N 3.29Å; E116-A118 PolarHBondContact O-N 3.31Å; A118-L120 VanDerWaalsContact C-N 3.32Å; A118-L120 PolarHBondContact O-N 3.5Å; A118-F121 PolarHBondContact O-N 2.84Å; A118-F122 WeakPolarHBondContact O-CD2 3.22Å; A118-F122 PolarHBondContact O-N 2.85Å; A118-F137 HydrophobicContact CB-CE2 4.02Å; A118-F137 HydrophobicContact CB-CZ 3.92Å; A118-Y147 HydrophobicContact CB-CD1 3.63Å; A118-Y147 HydrophobicContact CB-CE1 3.46Å; A118-Y147 VanDerWaalsContact CB-CE1 3.46Å; A118-Y147 HydrophobicContact CB-CG 4.39Å
119G91.9Very high91.6Very high13 Ų1350.9 Ų50.913%0.13425%0.245CC..Hα-helixtrans-55-44.1176.200000113.8A115 E116 N117 R123 Y147A115-G119 PolarHBondContact O-N 2.93Å; A115-G119 VanDerWaalsContact O-N 3.07Å; E116-G119 WeakPolarHBondContact O-CA 3.01Å; E116-G119 PolarHBondContact O-N 3.06Å; E116-G119 VanDerWaalsContact O-N 3.08Å; N117-G119 VanDerWaalsContact C-N 3.34Å; N117-G119 PolarHBondContact O-N 3.49Å; G119-R123 VanDerWaalsContact O-CG 3.28Å; G119-R123 WeakPolarHBondContact O-CG 3.38Å; G119-R123 PolarHBondContact O-N 2.62Å; G119-Y147 VanDerWaalsContact CA-OH 3.3Å; G119-Y147 WeakPolarHBondContact CA-OH 3.23Å
120L91Very high91.3Very high59 Ų5951.9 Ų51.931%0.30926%0.256SS..Hα-helixtrans-69.8-40.9178.3-64.8171.7000112F44 E116 N117 A118 R123 Q124F44-L120 HydrophobicContact CB-CB 4.16Å; F44-L120 HydrophobicContact CB-CD1 3.43Å; F44-L120 VanDerWaalsContact CB-CD1 3.43Å; F44-L120 HydrophobicContact CB-CG 4.4Å; F44-L120 HydrophobicContact CD1-CB 4.08Å; F44-L120 HydrophobicContact CD2-CB 4.34Å; F44-L120 HydrophobicContact CG-CB 3.95Å; F44-L120 HydrophobicContact CG-CD1 4.13Å; E116-L120 WeakPolarHBondContact O-CG 3.39Å; E116-L120 PolarHBondContact O-N 3.41Å; N117-L120 PolarHBondContact O-N 2.93Å; A118-L120 VanDerWaalsContact C-N 3.32Å; A118-L120 PolarHBondContact O-N 3.5Å; L120-R123 PolarHBondContact O-N 2.85Å; L120-Q124 WeakPolarHBondContact O-CB 3.48Å; L120-Q124 PolarHBondContact O-N 3.01Å; L120-Q124 VanDerWaalsContact O-N 3.09Å
121F92.3Very high91Very high0 Ų053.3 Ų53.30%027%0.267CS..Hα-helixtrans-58.6-52.1175.8174.8-89.1000111.6V37 V39 F44 L71 I110 N117 A118 R123 Q124 F125 L129V37-F121 HydrophobicContact CG1-CE2 4.48Å; V39-F121 HydrophobicContact CG1-CB 3.8Å; V39-F121 HydrophobicContact CG1-CD2 4.42Å; V39-F121 HydrophobicContact CG1-CG 4.26Å; V39-F121 HydrophobicContact CG2-CB 4.41Å; V39-F121 HydrophobicContact CG2-CD1 4.48Å; V39-F121 HydrophobicContact CG2-CD2 4.01Å; V39-F121 HydrophobicContact CG2-CE2 4.44Å; V39-F121 HydrophobicContact CG2-CG 4.03Å; F44-F121 HydrophobicContact CZ-CB 4.15Å; L71-F121 HydrophobicContact CD1-CE2 4.17Å; L71-F121 HydrophobicContact CD1-CZ 4.23Å; L71-F121 HydrophobicContact CD2-CE2 4.42Å; L71-F121 HydrophobicContact CD2-CZ 3.95Å; I110-F121 HydrophobicContact CD1-CD1 4.42Å; I110-F121 HydrophobicContact CD1-CE1 3.6Å; I110-F121 HydrophobicContact CD1-CZ 4.22Å; I110-F121 HydrophobicContact CG1-CE1 4.24Å; I110-F121 HydrophobicContact CG1-CZ 4.46Å; I110-F121 HydrophobicContact CG2-CE1 4.34Å; N117-F121 WeakPolarHBondContact O-CB 3.21Å; N117-F121 PolarHBondContact O-N 3.45Å; A118-F121 PolarHBondContact O-N 2.84Å; F121-R123 PolarHBondContact O-N 3.12Å; F121-Q124 PolarHBondContact O-N 3.5Å; F121-F125 AromaticContact CD2-CD2 3.74Å; F121-F125 HydrophobicContact CD2-CD2 3.74Å; F121-F125 HydrophobicContact CD2-CE2 4.32Å; F121-F125 HydrophobicContact CE2-CB 4.43Å; F121-F125 AromaticContact CE2-CD2 3.91Å; F121-F125 HydrophobicContact CE2-CD2 3.91Å; F121-F125 HydrophobicContact CE2-CG 4.4Å; F121-F125 HydrophobicContact CG-CD2 4.36Å; F121-F125 HydrophobicContact CZ-CB 4.37Å; F121-F125 WeakPolarHBondContact O-CD2 3.36Å; F121-F125 PolarHBondContact O-N 3.35Å; F121-L129 HydrophobicContact CE1-CD2 4.26Å
122F92.1Very high90.9Very high10 Ų1051.1 Ų51.14%0.04426%0.259CS..Hα-helixtrans-62.3-43-179.2-78.3-72.2000111.5I110 A118 Q124 E126 L129 F137 Y147 A152 V153 I155I110-F122 HydrophobicContact CD1-CE1 4.1Å; I110-F122 HydrophobicContact CD1-CZ 3.92Å; A118-F122 WeakPolarHBondContact O-CD2 3.22Å; A118-F122 PolarHBondContact O-N 2.85Å; F122-Q124 VanDerWaalsContact C-N 3.26Å; F122-Q124 PolarHBondContact O-N 2.87Å; F122-E126 WeakPolarHBondContact O-CA 3.29Å; F122-E126 VanDerWaalsContact O-CB 3.27Å; F122-E126 WeakPolarHBondContact O-CB 3.45Å; F122-E126 PolarHBondContact O-N 2.98Å; F122-L129 HydrophobicContact CD1-CD1 3.54Å; F122-L129 HydrophobicContact CE1-CD1 3.57Å; F122-F137 AromaticContact CE2-CD2 3.88Å; F122-F137 HydrophobicContact CE2-CD2 3.88Å; F122-F137 AromaticContact CE2-CE2 3.77Å; F122-F137 HydrophobicContact CE2-CE2 3.77Å; F122-F137 AromaticContact CZ-CD2 3.87Å; F122-F137 HydrophobicContact CZ-CD2 3.87Å; F122-F137 HydrophobicContact CZ-CE2 4.23Å; F122-Y147 AromaticContact CD2-CE1 3.85Å; F122-Y147 HydrophobicContact CD2-CE1 3.85Å; F122-Y147 AromaticContact CE2-CE1 3.93Å; F122-Y147 HydrophobicContact CE2-CE1 3.93Å; F122-A152 HydrophobicContact CD2-CB 4.5Å; F122-A152 HydrophobicContact CE2-CB 3.99Å; F122-A152 HydrophobicContact CZ-CB 4.25Å; F122-V153 WeakPolarHBondContact CD1-O 3.46Å; F122-V153 WeakPolarHBondContact CE1-O 3.39Å; F122-I155 HydrophobicContact CE1-CG2 3.73Å; F122-I155 HydrophobicContact CZ-CG2 3.54Å
123R90.1Very high90.9Very high206 Ų20652.1 Ų52.178%0.77726%0.264SS*.Hα-helixtrans-60.9-33.9177-75.7175178.7174.70.7113.8G119 L120 F121G119-R123 VanDerWaalsContact O-CG 3.28Å; G119-R123 WeakPolarHBondContact O-CG 3.38Å; G119-R123 PolarHBondContact O-N 2.62Å; L120-R123 PolarHBondContact O-N 2.85Å; F121-R123 PolarHBondContact O-N 3.12Å
124Q88.5Confident91Very high75 Ų7548 Ų4835%0.3524%0.242SC..Hα-helixtrans-89.1-32.5-174.7-173.5176.1-10.900112.9L120 F121 F122L120-Q124 WeakPolarHBondContact O-CB 3.48Å; L120-Q124 PolarHBondContact O-N 3.01Å; L120-Q124 VanDerWaalsContact O-N 3.09Å; F121-Q124 PolarHBondContact O-N 3.5Å; F122-Q124 VanDerWaalsContact C-N 3.26Å; F122-Q124 PolarHBondContact O-N 2.87Å
125F90.5Very high91.3Very high8 Ų845.2 Ų45.24%0.03523%0.227CC..Hα-helixtrans-11912.9-170.2-61-73.2000113.8F44 L67 I68 L71 F121 D127 K128 L129F44-F125 HydrophobicContact CE1-CE2 4.38Å; L67-F125 HydrophobicContact CB-CZ 4.33Å; L67-F125 HydrophobicContact CD1-CE2 3.95Å; L67-F125 HydrophobicContact CD1-CZ 4Å; I68-F125 HydrophobicContact CD1-CE1 4.49Å; I68-F125 HydrophobicContact CG1-CE1 3.85Å; L71-F125 HydrophobicContact CD1-CB 3.89Å; L71-F125 HydrophobicContact CD1-CD1 3.71Å; L71-F125 HydrophobicContact CD1-CD2 4.46Å; L71-F125 HydrophobicContact CD1-CE1 4.35Å; L71-F125 HydrophobicContact CD1-CG 3.77Å; F121-F125 AromaticContact CD2-CD2 3.74Å; F121-F125 HydrophobicContact CD2-CD2 3.74Å; F121-F125 HydrophobicContact CD2-CE2 4.32Å; F121-F125 HydrophobicContact CE2-CB 4.43Å; F121-F125 AromaticContact CE2-CD2 3.91Å; F121-F125 HydrophobicContact CE2-CD2 3.91Å; F121-F125 HydrophobicContact CE2-CG 4.4Å; F121-F125 HydrophobicContact CG-CD2 4.36Å; F121-F125 HydrophobicContact CZ-CB 4.37Å; F121-F125 WeakPolarHBondContact O-CD2 3.36Å; F121-F125 PolarHBondContact O-N 3.35Å; F125-D127 VanDerWaalsContact C-N 3.27Å; F125-D127 PolarHBondContact O-N 3.39Å; F125-K128 WeakPolarHBondContact O-CB 3.31Å; F125-K128 PolarHBondContact O-N 3.16Å; F125-L129 PolarHBondContact O-N 3.46Å
126E88.8Confident91.6Very high85 Ų8544.1 Ų44.140%0.39722%0.218SC..Hα-helixtrans-48.6-48.1179.4-163.2170.5171.400112.6F122 K128 L129 N154F122-E126 WeakPolarHBondContact O-CA 3.29Å; F122-E126 VanDerWaalsContact O-CB 3.27Å; F122-E126 WeakPolarHBondContact O-CB 3.45Å; F122-E126 PolarHBondContact O-N 2.98Å; E126-K128 PolarHBondContact O-N 3.16Å; E126-K128 VanDerWaalsContact O-N 3.14Å; E126-L129 WeakPolarHBondContact O-CB 3.16Å; E126-L129 PolarHBondContact O-N 2.97Å; E126-N154 WeakPolarHBondContact CG-ND2 3.45Å; E126-N154 PolarHBondContact OE1-ND2 2.99Å
127D88.1Confident91.9Very high157 Ų15738.4 Ų38.484%0.8419%0.191SC*.Hα-helixtrans-61.2-26.3-177.8-60.8-30.5000113.1F125F125-D127 VanDerWaalsContact C-N 3.27Å; F125-D127 PolarHBondContact O-N 3.39Å
128K89.9Confident92.1Very high100 Ų10037.5 Ų37.544%0.43519%0.186SC..Hα-helixtrans-80.8-25.6179.1-62.6-65.6-173.3172.10112.2L71 F125 E126 G130 A131L71-K128 HydrophobicContact CB-CB 4.4Å; L71-K128 HydrophobicContact CD1-CB 4.5Å; F125-K128 WeakPolarHBondContact O-CB 3.31Å; F125-K128 PolarHBondContact O-N 3.16Å; E126-K128 PolarHBondContact O-N 3.16Å; E126-K128 VanDerWaalsContact O-N 3.14Å; K128-G130 PolarHBondContact O-N 3.18Å; K128-A131 VanDerWaalsContact O-CB 3.23Å; K128-A131 WeakPolarHBondContact O-CB 3.42Å; K128-A131 PolarHBondContact O-N 3.32Å
129L91Very high92.2Very high1 Ų137.5 Ų37.51%0.00519%0.186CC..Hα-helixtrans-65.3-29180-59-178.1000112.4L108 I110 F121 F122 F125 E126 A131 F132 V135 N154L108-L129 HydrophobicContact CD2-CD2 3.55Å; I110-L129 HydrophobicContact CD1-CD2 4.24Å; F121-L129 HydrophobicContact CE1-CD2 4.26Å; F122-L129 HydrophobicContact CD1-CD1 3.54Å; F122-L129 HydrophobicContact CE1-CD1 3.57Å; F125-L129 PolarHBondContact O-N 3.46Å; E126-L129 WeakPolarHBondContact O-CB 3.16Å; E126-L129 PolarHBondContact O-N 2.97Å; L129-A131 PolarHBondContact O-N 2.92Å; L129-F132 PolarHBondContact O-N 3.13Å; L129-V135 HydrophobicContact CB-CG2 4.22Å; L129-V135 HydrophobicContact CD2-CG1 4.49Å; L129-V135 HydrophobicContact CD2-CG2 4.33Å; L129-N154 HydrophobicContact CD1-CB 4.22Å
130G88.7Confident92.3Very high22 Ų2238.2 Ų38.223%0.22719%0.188CC..THydrogen-bonded Turntrans-66.7-9173.500000114.5K128 F132 S277K128-G130 PolarHBondContact O-N 3.18Å; G130-F132 VanDerWaalsContact C-N 3.34Å; G130-S277 VanDerWaalsContact O-CB 3.27Å; G130-S277 WeakPolarHBondContact O-CB 3.49Å
131A90Very high92.4Very high29 Ų2936.5 Ų36.524%0.2418%0.181CC..THydrogen-bonded Turntrans-76.5-23.1173.400000112.9P73 K128 L129P73-A131 HydrophobicContact CG-CB 4.04Å; K128-A131 VanDerWaalsContact O-CB 3.23Å; K128-A131 WeakPolarHBondContact O-CB 3.42Å; K128-A131 PolarHBondContact O-N 3.32Å; L129-A131 PolarHBondContact O-N 2.92Å
132F93.4Very high92.4Very high0 Ų040 Ų400%020%0.2CC..SBendtrans-95.7143180-64.8-90000111.3L71 P73 L108 L129 G130 I134 V135 R276L71-F132 VanDerWaalsContact O-CE2 3.27Å; L71-F132 WeakPolarHBondContact O-CE2 3.23Å; P73-F132 HydrophobicContact CB-CD1 4.15Å; P73-F132 HydrophobicContact CB-CE1 3.91Å; P73-F132 HydrophobicContact CB-CZ 4.29Å; L108-F132 HydrophobicContact CB-CB 4.42Å; L108-F132 HydrophobicContact CB-CD1 3.83Å; L108-F132 HydrophobicContact CB-CD2 3.91Å; L108-F132 HydrophobicContact CB-CE1 3.99Å; L108-F132 HydrophobicContact CB-CE2 4.07Å; L108-F132 HydrophobicContact CB-CG 3.78Å; L108-F132 HydrophobicContact CB-CZ 4.11Å; L108-F132 HydrophobicContact CD1-CE1 4.46Å; L108-F132 HydrophobicContact CD1-CE2 4.32Å; L108-F132 HydrophobicContact CD1-CZ 4.06Å; L108-F132 HydrophobicContact CD2-CD2 4.21Å; L108-F132 HydrophobicContact CD2-CE2 4.06Å; L108-F132 HydrophobicContact CG-CE2 4.38Å; L108-F132 HydrophobicContact CG-CZ 4.48Å; L129-F132 PolarHBondContact O-N 3.13Å; G130-F132 VanDerWaalsContact C-N 3.34Å; F132-I134 VanDerWaalsContact C-N 3.32Å; F132-V135 HydrophobicContact CB-CG2 4.31Å; F132-R276 PolarHBondContact O-NH2 3.39Å
133D92.8Very high92.5Very high20 Ų2045.4 Ų45.411%0.10723%0.229CC..SBendtrans-70.5-30.9174.3-58-69.4000111.4F105 T106 G273 L274 K288F105-D133 HydrophobicContact CB-CB 4.16Å; F105-D133 HydrophobicContact CD1-CB 4.22Å; T106-D133 PolarHBondContact N-OD2 2.81Å; T106-D133 PolarHBondContact O-N 2.59Å; T106-D133 PolarHBondContact OG1-N 3.05Å; T106-D133 VanDerWaalsContact OG1-N 3.16Å; T106-D133 PolarHBondContact OG1-OD2 3.44Å; D133-G273 CarbonylContact O-C 3.59Å; D133-G273 WeakPolarHBondContact O-CA 3.46Å; D133-L274 HydrophobicContact CB-CD2 4.02Å; D133-L274 VanDerWaalsContact OD1-CD2 3.23Å; D133-L274 WeakPolarHBondContact OD1-CD2 3.38Å; D133-K288 IonicContact OD1-NZ 3.89Å; D133-K288 PolarHBondContact OD1-NZ 3.34Å
134I95.5Very high92.7Very high0 Ų035.6 Ų35.60%019%0.192CC..EExtended strand (participates in β ladder)trans-136.1136.2-179.7-53.8171.1000109.8L8 A32 F105 T106 R107 L108 F132 D156 L157 V269 V270L8-I134 HydrophobicContact CB-CD1 4.47Å; L8-I134 HydrophobicContact CD1-CD1 4.26Å; L8-I134 HydrophobicContact CD2-CD1 3.96Å; L8-I134 HydrophobicContact CG-CD1 4.47Å; A32-I134 HydrophobicContact CB-CD1 3.81Å; F105-I134 HydrophobicContact CB-CD1 4.5Å; T106-I134 PolarHBondContact O-N 3.32Å; R107-I134 CarbonylContact C-O 3.51Å; R107-I134 VanDerWaalsContact CA-O 3.26Å; R107-I134 WeakPolarHBondContact CA-O 3.21Å; R107-I134 HydrophobicContact CB-CB 4.14Å; R107-I134 HydrophobicContact CG-CB 4.24Å; R107-I134 HydrophobicContact CG-CG2 4.25Å; L108-I134 PolarHBondContact N-O 2.69Å; F132-I134 VanDerWaalsContact C-N 3.32Å; I134-D156 WeakPolarHBondContact CA-OD2 3.47Å; I134-D156 HydrophobicContact CG2-CB 4.38Å; I134-L157 HydrophobicContact CG2-CD1 3.95Å; I134-L157 HydrophobicContact CG2-CG 4.4Å; I134-V269 HydrophobicContact CG2-CG1 4.09Å; I134-V270 HydrophobicContact CD1-CG2 3.94Å
135V96.7Very high93Very high0 Ų032.1 Ų32.10%018%0.176CC..EExtended strand (participates in β ladder)trans-121.2121.6169.3177.50000109.2L108 I110 L129 F132 I155 D156 L157 R276L108-V135 HydrophobicContact CB-CG2 4.4Å; L108-V135 WeakPolarHBondContact O-CA 3.28Å; I110-V135 HydrophobicContact CD1-CG1 3.67Å; I110-V135 HydrophobicContact CG1-CG1 4.46Å; L129-V135 HydrophobicContact CB-CG2 4.22Å; L129-V135 HydrophobicContact CD2-CG1 4.49Å; L129-V135 HydrophobicContact CD2-CG2 4.33Å; F132-V135 HydrophobicContact CB-CG2 4.31Å; V135-I155 HydrophobicContact CG1-CG2 4.16Å; V135-D156 PolarHBondContact N-OD2 3.36Å; V135-D156 PolarHBondContact O-N 2.99Å; V135-L157 PolarHBondContact O-N 2.66Å; V135-R276 VanDerWaalsContact CG2-NH1 3.25Å
136S97.5Very high93.2Very high0 Ų032.8 Ų32.80%018%0.183CC..EExtended strand (participates in β ladder)trans-105.2141.8171.6-175.20000111.2L108 T109 I110 L157 S159L108-S136 PolarHBondContact O-N 3.23Å; T109-S136 WeakPolarHBondContact CA-O 3.41Å; I110-S136 PolarHBondContact N-O 3.16Å; S136-L157 WeakPolarHBondContact CA-O 3.41Å; S136-S159 PolarHBondContact OG-OG 2.52Å
137F96.9Very high93.6Very high0 Ų030.2 Ų30.20%017%0.17CC..EExtended strand (participates in β ladder)trans-109.7124.7169.8-167.3-93.2000109.8I110 C112 A118 F122 P139 A144 Y147 A148 I155 L157 I158 S159I110-F137 HydrophobicContact CB-CD2 4.09Å; I110-F137 HydrophobicContact CG2-CD2 4.01Å; I110-F137 HydrophobicContact CG2-CE2 4.09Å; C112-F137 HydrophobicContact CB-CE1 4.28Å; C112-F137 HydrophobicContact CB-CE2 3.87Å; C112-F137 HydrophobicContact CB-CZ 3.48Å; C112-F137 VanDerWaalsContact CB-CZ 3.48Å; A118-F137 HydrophobicContact CB-CE2 4.02Å; A118-F137 HydrophobicContact CB-CZ 3.92Å; F122-F137 AromaticContact CE2-CD2 3.88Å; F122-F137 HydrophobicContact CE2-CD2 3.88Å; F122-F137 AromaticContact CE2-CE2 3.77Å; F122-F137 HydrophobicContact CE2-CE2 3.77Å; F122-F137 AromaticContact CZ-CD2 3.87Å; F122-F137 HydrophobicContact CZ-CD2 3.87Å; F122-F137 HydrophobicContact CZ-CE2 4.23Å; F137-P139 HydrophobicContact CD1-CB 4.23Å; F137-P139 HydrophobicContact CD1-CG 4.33Å; F137-P139 HydrophobicContact CE1-CB 3.95Å; F137-P139 VanDerWaalsContact O-CD 3.24Å; F137-P139 WeakPolarHBondContact O-CD 3.48Å; F137-A144 HydrophobicContact CE1-CB 4.36Å; F137-Y147 HydrophobicContact CZ-CD1 4.37Å; F137-A148 HydrophobicContact CD1-CB 3.42Å; F137-A148 VanDerWaalsContact CD1-CB 3.42Å; F137-A148 HydrophobicContact CE1-CB 3.76Å; F137-A148 HydrophobicContact CG-CB 4.16Å; F137-I155 HydrophobicContact CB-CD1 4.3Å; F137-I155 HydrophobicContact CB-CG2 4.32Å; F137-L157 PolarHBondContact N-O 2.7Å; F137-I158 CarbonylContact O-C 3.58Å; F137-I158 VanDerWaalsContact O-CA 3.22Å; F137-I158 WeakPolarHBondContact O-CA 3.42Å; F137-S159 PolarHBondContact O-N 2.99Å
138C95.9Very high93.9Very high2 Ų222.8 Ų22.81%0.01413%0.13CC..EExtended strand (participates in β ladder)trans-109.692.2177.7-170.30000110.3T109 I110 Y111 C112 S159T109-C138 HydrophobicContact CG2-CB 4.12Å; I110-C138 PolarHBondContact O-N 2.95Å; Y111-C138 WeakPolarHBondContact CA-O 3.48Å; Y111-C138 HydrophobicContact CD1-CB 3.61Å; Y111-C138 VanDerWaalsContact CD1-SG 3.59Å; Y111-C138 HydrophobicContact CE1-CB 3.7Å; Y111-C138 WeakPolarHBondContact CE1-SG 3.34Å; Y111-C138 HydrophobicContact CG-CB 4.12Å; C112-C138 PolarHBondContact N-O 3Å; C112-C138 VanDerWaalsContact N-O 3.1Å; C138-S159 WeakPolarHBondContact CA-O 3.24Å; C138-S159 PolarHBondContact SG-O 2.85Å
139P95.4Very high94.2Very high0 Ų018 Ų180%011%0.109CC..EExtended strand (participates in β ladder)trans-73.8140.8177.726.7-27.1000110.9C112 F137 A144 F145 I158 L160 I168C112-P139 CarbonylContact O-C 3.48Å; C112-P139 WeakPolarHBondContact O-CA 3.37Å; F137-P139 HydrophobicContact CD1-CB 4.23Å; F137-P139 HydrophobicContact CD1-CG 4.33Å; F137-P139 HydrophobicContact CE1-CB 3.95Å; F137-P139 VanDerWaalsContact O-CD 3.24Å; F137-P139 WeakPolarHBondContact O-CD 3.48Å; P139-A144 HydrophobicContact CB-CB 3.86Å; P139-F145 HydrophobicContact CB-CB 3.92Å; P139-F145 HydrophobicContact CG-CB 3.93Å; P139-F145 HydrophobicContact CG-CD2 3.76Å; P139-F145 HydrophobicContact CG-CG 4.35Å; P139-I158 HydrophobicContact CG-CG2 3.95Å; P139-L160 HydrophobicContact CG-CD2 4.35Å; P139-I168 HydrophobicContact CB-CD1 4.35Å; P139-I168 HydrophobicContact CG-CD1 4.16Å; P139-I168 WeakPolarHBondContact O-CD1 3.42Å
140T92.5Very high94.4Very high28 Ų2822.7 Ų22.717%0.17213%0.131CC..SBendtrans-111.4-0.5174.656.40000113.4C112 N113 K164 S166C112-T140 PolarHBondContact O-N 3Å; C112-T140 PolarHBondContact O-OG1 3.03Å; C112-T140 VanDerWaalsContact O-OG1 3.07Å; N113-T140 WeakPolarHBondContact CA-OG1 3.32Å; N113-T140 WeakPolarHBondContact CB-OG1 3.26Å; N113-T140 PolarHBondContact N-OG1 3.21Å; T140-K164 HydrophobicContact CG2-CD 4.34Å; T140-S166 VanDerWaalsContact O-CB 3.28Å; T140-S166 WeakPolarHBondContact O-CB 3.44Å
141S93.1Very high94.6Very high23 Ų2328.4 Ų28.416%0.16115%0.15CC..SBendtrans-135.6160.7172.573.70000112N113 N143 A144 F145N113-S141 PolarHBondContact O-OG 2.86Å; N113-S141 VanDerWaalsContact OD1-CB 3.26Å; N113-S141 WeakPolarHBondContact OD1-CB 3.34Å; S141-N143 PolarHBondContact O-N 3.31Å; S141-N143 PolarHBondContact OG-N 3.46Å; S141-A144 PolarHBondContact O-N 3.24Å; S141-A144 WeakPolarHBondContact OG-CB 3.23Å; S141-A144 PolarHBondContact OG-N 2.87Å; S141-F145 WeakPolarHBondContact O-CB 3.17Å; S141-F145 PolarHBondContact O-N 2.71Å
142N93.2Very high94.8Very high73 Ų7327 Ų2739%0.3914%0.138SC..Hα-helixtrans-59.9-34.2172.8-79.6-70000112.5F145 A146 E167 I168 R169N142-F145 PolarHBondContact O-N 2.73Å; N142-A146 WeakPolarHBondContact O-CB 3.32Å; N142-A146 PolarHBondContact O-N 2.95Å; N142-E167 PolarHBondContact ND2-O 2.88Å; N142-E167 PolarHBondContact OD1-O 3.06Å; N142-I168 WeakPolarHBondContact OD1-CA 3.13Å; N142-R169 PolarHBondContact OD1-N 3.49Å
143N93.5Very high94.6Very high124 Ų12430.6 Ų30.666%0.66316%0.16SC*.Hα-helixtrans-70.5-43.6178.7-68.8-18.4000111.5S141 F145 A146 Y147S141-N143 PolarHBondContact O-N 3.31Å; S141-N143 PolarHBondContact OG-N 3.46Å; N143-F145 VanDerWaalsContact C-N 3.32Å; N143-A146 PolarHBondContact O-N 3.01Å; N143-Y147 WeakPolarHBondContact O-CB 3.39Å; N143-Y147 PolarHBondContact O-N 3.21Å
144A94.2Very high94.5Very high0 Ų032 Ų320%017%0.167CC..Hα-helixtrans-64.5-38174.100000111.5F137 P139 S141 Y147 A148F137-A144 HydrophobicContact CE1-CB 4.36Å; P139-A144 HydrophobicContact CB-CB 3.86Å; S141-A144 PolarHBondContact O-N 3.24Å; S141-A144 WeakPolarHBondContact OG-CB 3.23Å; S141-A144 PolarHBondContact OG-N 2.87Å; A144-Y147 WeakPolarHBondContact O-CB 3.44Å; A144-Y147 PolarHBondContact O-N 3.3Å; A144-A148 PolarHBondContact O-N 2.95Å
145F95.6Very high94.5Very high2 Ų232.1 Ų32.11%0.00917%0.168CC..Hα-helixtrans-63.2-47.9175.1179.4-100000111.8P139 S141 N142 N143 Y147 A148 C149 I158 L160 I168 L170 Q174 L185P139-F145 HydrophobicContact CB-CB 3.92Å; P139-F145 HydrophobicContact CG-CB 3.93Å; P139-F145 HydrophobicContact CG-CD2 3.76Å; P139-F145 HydrophobicContact CG-CG 4.35Å; S141-F145 WeakPolarHBondContact O-CB 3.17Å; S141-F145 PolarHBondContact O-N 2.71Å; N142-F145 PolarHBondContact O-N 2.73Å; N143-F145 VanDerWaalsContact C-N 3.32Å; F145-Y147 VanDerWaalsContact C-N 3.3Å; F145-Y147 PolarHBondContact O-N 3.46Å; F145-A148 WeakPolarHBondContact O-CB 3.43Å; F145-A148 PolarHBondContact O-N 3.48Å; F145-A148 VanDerWaalsContact O-N 3.11Å; F145-C149 WeakPolarHBondContact CZ-SG 3.48Å; F145-C149 PolarHBondContact O-N 3.24Å; F145-C149 PolarHBondContact O-SG 3.47Å; F145-I158 HydrophobicContact CD2-CG2 4.05Å; F145-I158 HydrophobicContact CE2-CG2 3.92Å; F145-L160 HydrophobicContact CD2-CD2 4.12Å; F145-L160 HydrophobicContact CE2-CD2 4.18Å; F145-I168 HydrophobicContact CB-CD1 4.5Å; F145-I168 HydrophobicContact CB-CG2 3.79Å; F145-I168 HydrophobicContact CD1-CG2 3.74Å; F145-I168 HydrophobicContact CD2-CG2 3.69Å; F145-I168 HydrophobicContact CE1-CG2 4.27Å; F145-I168 HydrophobicContact CE2-CG2 4.23Å; F145-I168 HydrophobicContact CG-CG2 3.44Å; F145-I168 VanDerWaalsContact CG-CG2 3.44Å; F145-L170 HydrophobicContact CE1-CD2 3.76Å; F145-L170 HydrophobicContact CE2-CD2 3.78Å; F145-L170 HydrophobicContact CZ-CD2 3.25Å; F145-Q174 HydrophobicContact CE1-CB 4.27Å; F145-L185 HydrophobicContact CE2-CD2 4.18Å
146A95.2Very high94.4Very high22 Ų2232.1 Ų32.118%0.18217%0.168CC..Hα-helixtrans-58.2-43.4175.400000111.7N142 N143 A148 C149 E150N142-A146 WeakPolarHBondContact O-CB 3.32Å; N142-A146 PolarHBondContact O-N 2.95Å; N143-A146 PolarHBondContact O-N 3.01Å; A146-A148 VanDerWaalsContact C-N 3.34Å; A146-A148 PolarHBondContact O-N 2.91Å; A146-C149 PolarHBondContact O-N 3Å; A146-E150 VanDerWaalsContact O-CB 3.31Å; A146-E150 WeakPolarHBondContact O-CB 3.43Å; A146-E150 WeakPolarHBondContact O-CG 3.38Å; A146-E150 PolarHBondContact O-N 3.41Å
147Y95.6Very high94.4Very high32 Ų3232.1 Ų32.113%0.12517%0.168CC..Hα-helixtrans-58.2-44.4174175.7-89.3000112.3A115 A118 G119 F122 F137 N143 A144 F145 E150 K151 A152A115-Y147 HydrophobicContact CB-CD2 4.39Å; A115-Y147 HydrophobicContact CB-CG 4.23Å; A118-Y147 HydrophobicContact CB-CD1 3.63Å; A118-Y147 HydrophobicContact CB-CE1 3.46Å; A118-Y147 VanDerWaalsContact CB-CE1 3.46Å; A118-Y147 HydrophobicContact CB-CG 4.39Å; G119-Y147 VanDerWaalsContact CA-OH 3.3Å; G119-Y147 WeakPolarHBondContact CA-OH 3.23Å; F122-Y147 AromaticContact CD2-CE1 3.85Å; F122-Y147 HydrophobicContact CD2-CE1 3.85Å; F122-Y147 AromaticContact CE2-CE1 3.93Å; F122-Y147 HydrophobicContact CE2-CE1 3.93Å; F137-Y147 HydrophobicContact CZ-CD1 4.37Å; N143-Y147 WeakPolarHBondContact O-CB 3.39Å; N143-Y147 PolarHBondContact O-N 3.21Å; A144-Y147 WeakPolarHBondContact O-CB 3.44Å; A144-Y147 PolarHBondContact O-N 3.3Å; F145-Y147 VanDerWaalsContact C-N 3.3Å; F145-Y147 PolarHBondContact O-N 3.46Å; Y147-E150 PolarHBondContact O-N 3.1Å; Y147-K151 HydrophobicContact CD2-CB 3.8Å; Y147-K151 HydrophobicContact CD2-CD 4.04Å; Y147-K151 HydrophobicContact CD2-CG 4.48Å; Y147-K151 HydrophobicContact CE2-CB 3.7Å; Y147-K151 HydrophobicContact CE2-CD 4.3Å; Y147-K151 HydrophobicContact CG-CB 4.46Å; Y147-K151 WeakPolarHBondContact O-CA 3.43Å; Y147-K151 PolarHBondContact O-N 3.06Å; Y147-A152 HydrophobicContact CD1-CB 4.02Å; Y147-A152 HydrophobicContact CE1-CB 3.6Å; Y147-A152 PolarHBondContact O-N 3.41Å
148A96.1Very high94.5Very high0 Ų032.1 Ų32.10%017%0.168CC..Hα-helixtrans-60.2-49.417800000111.8F137 A144 F145 A146 E150 I155 I158 R181F137-A148 HydrophobicContact CD1-CB 3.42Å; F137-A148 VanDerWaalsContact CD1-CB 3.42Å; F137-A148 HydrophobicContact CE1-CB 3.76Å; F137-A148 HydrophobicContact CG-CB 4.16Å; A144-A148 PolarHBondContact O-N 2.95Å; F145-A148 WeakPolarHBondContact O-CB 3.43Å; F145-A148 PolarHBondContact O-N 3.48Å; F145-A148 VanDerWaalsContact O-N 3.11Å; A146-A148 VanDerWaalsContact C-N 3.34Å; A146-A148 PolarHBondContact O-N 2.91Å; A148-E150 PolarHBondContact O-N 2.92Å; A148-I155 HydrophobicContact CB-CD1 4.31Å; A148-I158 HydrophobicContact CB-CD1 3.69Å; A148-I158 HydrophobicContact CB-CG1 4.06Å; A148-R181 PolarHBondContact O-NH1 2.96Å
149C95.3Very high94.5Very high0 Ų032.2 Ų32.20%017%0.169CC..Hα-helixtrans-65.8-35.1-179.4-64.40000113.2F145 A146 Q174 L177 R181F145-C149 WeakPolarHBondContact CZ-SG 3.48Å; F145-C149 PolarHBondContact O-N 3.24Å; F145-C149 PolarHBondContact O-SG 3.47Å; A146-C149 PolarHBondContact O-N 3Å; C149-Q174 HydrophobicContact CB-CB 4.07Å; C149-Q174 HydrophobicContact CB-CG 4.28Å; C149-L177 WeakPolarHBondContact O-CD2 3.34Å; C149-R181 PolarHBondContact O-NH1 2.83Å
150E94.4Very high94.5Very high100 Ų10032.3 Ų32.347%0.46717%0.169SC..Hα-helixtrans-103.6-36.7-168.5-65.7171.6-160.200114.6A146 Y147 A148 L177A146-E150 VanDerWaalsContact O-CB 3.31Å; A146-E150 WeakPolarHBondContact O-CB 3.43Å; A146-E150 WeakPolarHBondContact O-CG 3.38Å; A146-E150 PolarHBondContact O-N 3.41Å; Y147-E150 PolarHBondContact O-N 3.1Å; A148-E150 PolarHBondContact O-N 2.92Å; E150-L177 HydrophobicContact CB-CD2 4.08Å; E150-L177 HydrophobicContact CG-CD2 3.61Å
151K94.4Very high94.4Very high142 Ų14231.8 Ų31.862%0.61717%0.166SC*.THydrogen-bonded Turntrans-125.9-30.1-164.4-64.1-178.8-177.7176.50114.8Y147 V153Y147-K151 HydrophobicContact CD2-CB 3.8Å; Y147-K151 HydrophobicContact CD2-CD 4.04Å; Y147-K151 HydrophobicContact CD2-CG 4.48Å; Y147-K151 HydrophobicContact CE2-CB 3.7Å; Y147-K151 HydrophobicContact CE2-CD 4.3Å; Y147-K151 HydrophobicContact CG-CB 4.46Å; Y147-K151 WeakPolarHBondContact O-CA 3.43Å; Y147-K151 PolarHBondContact O-N 3.06Å; K151-V153 PolarHBondContact O-N 3.16Å; K151-V153 VanDerWaalsContact O-N 3.14Å
152A92.5Very high94.3Very high0 Ų031 Ų310%016%0.159CC..  trans-63.8114.2-173.100000111.9F122 Y147 I155 R181F122-A152 HydrophobicContact CD2-CB 4.5Å; F122-A152 HydrophobicContact CE2-CB 3.99Å; F122-A152 HydrophobicContact CZ-CB 4.25Å; Y147-A152 HydrophobicContact CD1-CB 4.02Å; Y147-A152 HydrophobicContact CE1-CB 3.6Å; Y147-A152 PolarHBondContact O-N 3.41Å; A152-I155 HydrophobicContact CB-CD1 3.77Å; A152-I155 HydrophobicContact CB-CG1 4.25Å; A152-I155 HydrophobicContact CB-CG2 4.33Å; A152-R181 PolarHBondContact O-NH2 3.47Å
153V89.7Confident93.9Very high74 Ų7431.8 Ų31.845%0.44817%0.167SC..  trans-82.3154.8179.3-172.30000109.8F122 K151 I155F122-V153 WeakPolarHBondContact CD1-O 3.46Å; F122-V153 WeakPolarHBondContact CE1-O 3.39Å; K151-V153 PolarHBondContact O-N 3.16Å; K151-V153 VanDerWaalsContact O-N 3.14Å; V153-I155 VanDerWaalsContact C-N 3.35Å; V153-I155 PolarHBondContact O-N 3.24Å
154N90.8Very high93.1Very high49 Ų4930.5 Ų30.526%0.26216%0.156SC..SBendtrans61.634.4171.1-68-28.3000115.2E126 L129 R276E126-N154 WeakPolarHBondContact CG-ND2 3.45Å; E126-N154 PolarHBondContact OE1-ND2 2.99Å; L129-N154 HydrophobicContact CD1-CB 4.22Å; N154-R276 HydrophobicContact CB-CG 4.47Å; N154-R276 PolarHBondContact O-NH1 3.4Å
155I95.4Very high91.6Very high3 Ų334.1 Ų34.12%0.01518%0.181CC..  trans-111.5150.1170.963.5166.8000110.9F122 V135 F137 A148 A152 V153 I158 I183F122-I155 HydrophobicContact CE1-CG2 3.73Å; F122-I155 HydrophobicContact CZ-CG2 3.54Å; V135-I155 HydrophobicContact CG1-CG2 4.16Å; F137-I155 HydrophobicContact CB-CD1 4.3Å; F137-I155 HydrophobicContact CB-CG2 4.32Å; A148-I155 HydrophobicContact CB-CD1 4.31Å; A152-I155 HydrophobicContact CB-CD1 3.77Å; A152-I155 HydrophobicContact CB-CG1 4.25Å; A152-I155 HydrophobicContact CB-CG2 4.33Å; V153-I155 VanDerWaalsContact C-N 3.35Å; V153-I155 PolarHBondContact O-N 3.24Å; I155-I158 HydrophobicContact CD1-CD1 4.43Å; I155-I158 HydrophobicContact CD1-CG1 4.16Å; I155-I183 HydrophobicContact CD1-CD1 3.88Å; I155-I183 HydrophobicContact CD1-CG2 4.46Å; I155-I183 HydrophobicContact CG1-CD1 3.7Å; I155-I183 HydrophobicContact CG1-CG1 4.15Å
156D96.1Very high90Very high0 Ų035.2 Ų35.20%019%0.188CC..  trans-116.7-30.7-178.7-45.9-60.2000111.9I134 V135 I183 H184 V269 H272 G273 R276I134-D156 WeakPolarHBondContact CA-OD2 3.47Å; I134-D156 HydrophobicContact CG2-CB 4.38Å; V135-D156 PolarHBondContact N-OD2 3.36Å; V135-D156 PolarHBondContact O-N 2.99Å; D156-I183 WeakPolarHBondContact O-CA 3.26Å; D156-H184 PolarHBondContact O-N 3.13Å; D156-H184 VanDerWaalsContact O-N 3.12Å; D156-V269 HydrophobicContact CB-CG1 4.07Å; D156-H272 IonicContact OD1-CE1 3.51Å; D156-H272 IonicContact OD1-CG 2.87Å; D156-H272 IonicContact OD1-ND1 2.73Å; D156-H272 PolarHBondContact OD1-ND1 3.19Å; D156-G273 VanDerWaalsContact OD1-CA 3.31Å; D156-G273 WeakPolarHBondContact OD1-CA 3.48Å; D156-G273 PolarHBondContact OD1-N 3.14Å; D156-R276 IonicContact OD1-NH1 3.43Å; D156-R276 PolarHBondContact OD1-NH1 2.63Å; D156-R276 IonicContact OD2-CZ 3.37Å; D156-R276 IonicContact OD2-NH1 2.7Å; D156-R276 PolarHBondContact OD2-NH1 3.39Å; D156-R276 IonicContact OD2-NH2 3.44Å; D156-R276 PolarHBondContact OD2-NH2 3.13Å
157L97.4Very high89.2Confident0 Ų041.2 Ų41.20%021%0.213CC..EExtended strand (participates in β ladder)trans-128.2148.6-178-72.4176.3000111.2L8 I134 V135 S136 F137 H184 E186 V226 V269L8-L157 HydrophobicContact CD1-CD1 4.42Å; I134-L157 HydrophobicContact CG2-CD1 3.95Å; I134-L157 HydrophobicContact CG2-CG 4.4Å; V135-L157 PolarHBondContact O-N 2.66Å; S136-L157 WeakPolarHBondContact CA-O 3.41Å; F137-L157 PolarHBondContact N-O 2.7Å; L157-H184 CarbonylContact C-O 3.56Å; L157-H184 WeakPolarHBondContact CA-O 3.26Å; L157-H184 HydrophobicContact CD2-CB 3.91Å; L157-E186 HydrophobicContact CD2-CB 4.32Å; L157-V226 HydrophobicContact CD2-CB 4.43Å; L157-V226 HydrophobicContact CD2-CG2 4.24Å; L157-V269 HydrophobicContact CD1-CG1 3.89Å; L157-V269 HydrophobicContact CD2-CB 4.25Å; L157-V269 HydrophobicContact CD2-CG1 3.73Å; L157-V269 HydrophobicContact CD2-CG2 3.53Å; L157-V269 HydrophobicContact CG-CG1 3.55Å; L157-V269 HydrophobicContact CG-CG2 4.29Å
158I97.4Very high88.9Confident0 Ų040 Ų400%021%0.209CC..EExtended strand (participates in β ladder)trans-117108.1160.8-65.8170.8000107.9F137 P139 F145 A148 I155 L160 M178 I183 H184 L185 E186F137-I158 CarbonylContact O-C 3.58Å; F137-I158 VanDerWaalsContact O-CA 3.22Å; F137-I158 WeakPolarHBondContact O-CA 3.42Å; P139-I158 HydrophobicContact CG-CG2 3.95Å; F145-I158 HydrophobicContact CD2-CG2 4.05Å; F145-I158 HydrophobicContact CE2-CG2 3.92Å; A148-I158 HydrophobicContact CB-CD1 3.69Å; A148-I158 HydrophobicContact CB-CG1 4.06Å; I155-I158 HydrophobicContact CD1-CD1 4.43Å; I155-I158 HydrophobicContact CD1-CG1 4.16Å; I158-L160 HydrophobicContact CG2-CD2 4.31Å; I158-M178 HydrophobicContact CD1-CG 4.12Å; I158-M178 HydrophobicContact CD1-SD 3.92Å; I158-I183 HydrophobicContact CD1-CG2 3.93Å; I158-I183 HydrophobicContact CG1-CG2 3.8Å; I158-H184 PolarHBondContact N-O 3.18Å; I158-L185 HydrophobicContact CB-CD2 4Å; I158-L185 HydrophobicContact CG2-CD2 4.02Å; I158-L185 CarbonylContact O-C 3.53Å; I158-L185 WeakPolarHBondContact O-CA 3.46Å; I158-E186 PolarHBondContact O-N 3.38Å
159S96.6Very high88.7Confident4 Ų448.9 Ų48.93%0.02824%0.242CC..EExtended strand (participates in β ladder)trans-88.1125178.2-52.10000110.5R107 S136 F137 C138 E186R107-S159 PolarHBondContact NH2-OG 2.83Å; S136-S159 PolarHBondContact OG-OG 2.52Å; F137-S159 PolarHBondContact O-N 2.99Å; C138-S159 WeakPolarHBondContact CA-O 3.24Å; C138-S159 PolarHBondContact SG-O 2.85Å; S159-E186 WeakPolarHBondContact CB-OE2 3.29Å; S159-E186 PolarHBondContact OG-OE2 3.21Å
160L94.9Very high88.5Confident3 Ų349 Ų492%0.01624%0.242CC..EExtended strand (participates in β ladder)trans-97119.4176-62.6176.1000109.7P139 F145 I158 L162 I168 L170 L185 E186 F187 Y209P139-L160 HydrophobicContact CG-CD2 4.35Å; F145-L160 HydrophobicContact CD2-CD2 4.12Å; F145-L160 HydrophobicContact CE2-CD2 4.18Å; I158-L160 HydrophobicContact CG2-CD2 4.31Å; L160-L162 PolarHBondContact O-N 3.26Å; L160-I168 HydrophobicContact CD2-CD1 3.94Å; L160-I168 HydrophobicContact CD2-CG2 4.36Å; L160-L170 HydrophobicContact CD1-CD1 4.47Å; L160-L170 HydrophobicContact CD1-CD2 4.26Å; L160-L185 HydrophobicContact CD1-CD2 4.24Å; L160-L185 HydrophobicContact CG-CD2 4.5Å; L160-E186 PolarHBondContact N-O 2.87Å; L160-F187 HydrophobicContact CB-CD1 4.14Å; L160-F187 HydrophobicContact CB-CE1 3.86Å; L160-F187 HydrophobicContact CD1-CE1 3.62Å; L160-F187 HydrophobicContact CD1-CZ 3.88Å; L160-F187 HydrophobicContact CG-CE1 4.27Å; L160-Y209 HydrophobicContact CD1-CD1 4.21Å; L160-Y209 HydrophobicContact CD1-CE1 3.93Å
161D91.2Very high88.4Confident17 Ų1748 Ų489%0.09124%0.24CC..  trans-72.7115.2177.8-172.4-7.9000110.2T163 K164D161-T163 VanDerWaalsContact C-N 3.31Å; D161-T163 VanDerWaalsContact CG-OG1 3.31Å; D161-T163 WeakPolarHBondContact OD1-CB 3.5Å; D161-T163 PolarHBondContact OD1-N 3.43Å; D161-T163 PolarHBondContact OD1-OG1 3.46Å; D161-T163 PolarHBondContact OD2-OG1 3.04Å; D161-K164 WeakPolarHBondContact OD2-CD 3.49Å; D161-K164 WeakPolarHBondContact OD2-CE 3.21Å; D161-K164 WeakPolarHBondContact OD2-CG 3.5Å; D161-K164 IonicContact OD2-NZ 3.64Å
162L90.8Very high88.4Confident6 Ų643.8 Ų43.83%0.03123%0.229CC..SBendtrans-81.6-11179.3-60177.9000113.2L160 F187 Q188 P191 V192 A202 V205 L206 Y209L160-L162 PolarHBondContact O-N 3.26Å; L162-F187 HydrophobicContact CD2-CD1 3.91Å; L162-F187 HydrophobicContact CD2-CE1 4.42Å; L162-Q188 WeakPolarHBondContact CD1-O 3.26Å; L162-P191 HydrophobicContact CB-CB 4.3Å; L162-V192 HydrophobicContact CD1-CG2 3.75Å; L162-A202 HydrophobicContact CB-CB 3.98Å; L162-V205 HydrophobicContact CD2-CG1 3.93Å; L162-L206 HydrophobicContact CD1-CB 4.04Å; L162-L206 HydrophobicContact CD1-CD1 4.18Å; L162-L206 HydrophobicContact CD1-CD2 4.1Å; L162-L206 HydrophobicContact CD1-CG 4.35Å; L162-L206 HydrophobicContact CD2-CB 4.11Å; L162-L206 HydrophobicContact CD2-CD1 4.19Å; L162-Y209 HydrophobicContact CD2-CD2 3.99Å; L162-Y209 HydrophobicContact CD2-CE2 4.12Å
163T85.5Confident88.4Confident90 Ų9052.6 Ų52.655%0.55227%0.267SS*.SBendtrans-86-20.5-178.468.60000112.7D161 P191D161-T163 VanDerWaalsContact C-N 3.31Å; D161-T163 VanDerWaalsContact CG-OG1 3.31Å; D161-T163 WeakPolarHBondContact OD1-CB 3.5Å; D161-T163 PolarHBondContact OD1-N 3.43Å; D161-T163 PolarHBondContact OD1-OG1 3.46Å; D161-T163 PolarHBondContact OD2-OG1 3.04Å; T163-P191 HydrophobicContact CG2-CB 3.82Å; T163-P191 HydrophobicContact CG2-CG 3.93Å
164K76.2Confident88.6Confident97 Ų9749.8 Ų49.842%0.42225%0.249SC..SBendtrans-101.8139.4-177.5-66.8178.7-172.5169.30110.7T140 D161 S166T140-K164 HydrophobicContact CG2-CD 4.34Å; D161-K164 WeakPolarHBondContact OD2-CD 3.49Å; D161-K164 WeakPolarHBondContact OD2-CE 3.21Å; D161-K164 WeakPolarHBondContact OD2-CG 3.5Å; D161-K164 IonicContact OD2-NZ 3.64Å; K164-S166 PolarHBondContact O-N 2.96Å
165S62.2Low88.7Confident76 Ų7647.6 Ų47.653%0.53124%0.237SC..  trans-72.120.8175.5-169.70000113.5E167S165-E167 PolarHBondContact O-N 3.47Å
166S63.4Low88.6Confident24 Ų2451.3 Ų51.317%0.16826%0.257CS..  trans-66.8102.4175.555.20000107.7T140 K164 I168T140-S166 VanDerWaalsContact O-CB 3.28Å; T140-S166 WeakPolarHBondContact O-CB 3.44Å; K164-S166 PolarHBondContact O-N 2.96Å; S166-I168 PolarHBondContact O-N 2.96Å
167E76.6Confident88.4Confident149 Ų14954.4 Ų54.470%0.69627%0.273SS*.  trans-6968174.3-64.8-178.8-176.200109.4N142 S165 R169N142-E167 PolarHBondContact ND2-O 2.88Å; N142-E167 PolarHBondContact OD1-O 3.06Å; S165-E167 PolarHBondContact O-N 3.47Å; E167-R169 PolarHBondContact O-N 3.47Å; E167-R169 VanDerWaalsContact O-N 3.14Å
168I90.7Very high88.3Confident7 Ų754.4 Ų54.44%0.03627%0.274CS..  trans-69.4111.7174.1-65.5174.8000106.8P139 N142 F145 L160 S166 L170P139-I168 HydrophobicContact CB-CD1 4.35Å; P139-I168 HydrophobicContact CG-CD1 4.16Å; P139-I168 WeakPolarHBondContact O-CD1 3.42Å; N142-I168 WeakPolarHBondContact OD1-CA 3.13Å; F145-I168 HydrophobicContact CB-CD1 4.5Å; F145-I168 HydrophobicContact CB-CG2 3.79Å; F145-I168 HydrophobicContact CD1-CG2 3.74Å; F145-I168 HydrophobicContact CD2-CG2 3.69Å; F145-I168 HydrophobicContact CE1-CG2 4.27Å; F145-I168 HydrophobicContact CE2-CG2 4.23Å; F145-I168 HydrophobicContact CG-CG2 3.44Å; F145-I168 VanDerWaalsContact CG-CG2 3.44Å; L160-I168 HydrophobicContact CD2-CD1 3.94Å; L160-I168 HydrophobicContact CD2-CG2 4.36Å; S166-I168 PolarHBondContact O-N 2.96Å; I168-L170 HydrophobicContact CG2-CD2 4.22Å; I168-L170 PolarHBondContact O-N 3.42Å
169R90.3Very high88Confident186 Ų18656.4 Ų56.470%0.70228%0.283SS*.  trans-87.8114.4179.4-173.2177.5-176.9168.62.6109.4N142 E167 L171N142-R169 PolarHBondContact OD1-N 3.49Å; E167-R169 PolarHBondContact O-N 3.47Å; E167-R169 VanDerWaalsContact O-N 3.14Å; R169-L171 HydrophobicContact CG-CD2 4.29Å
170L92Very high87.8Confident1 Ų160.7 Ų60.71%0.00531%0.313CS..  trans-75128.8175.7-54.8178.8000109.7F145 L160 I168 L185 Y209 L213 I216F145-L170 HydrophobicContact CE1-CD2 3.76Å; F145-L170 HydrophobicContact CE2-CD2 3.78Å; F145-L170 HydrophobicContact CZ-CD2 3.25Å; L160-L170 HydrophobicContact CD1-CD1 4.47Å; L160-L170 HydrophobicContact CD1-CD2 4.26Å; I168-L170 HydrophobicContact CG2-CD2 4.22Å; I168-L170 PolarHBondContact O-N 3.42Å; L170-L185 HydrophobicContact CD1-CD1 4.33Å; L170-Y209 HydrophobicContact CD1-CD1 3.58Å; L170-Y209 HydrophobicContact CD1-CE1 4.06Å; L170-Y209 HydrophobicContact CG-CD1 4.18Å; L170-Y209 HydrophobicContact CG-CE1 4.2Å; L170-L213 HydrophobicContact CB-CD2 4.3Å; L170-L213 HydrophobicContact CD1-CD1 4.04Å; L170-L213 HydrophobicContact CD1-CD2 3.33Å; L170-L213 HydrophobicContact CD1-CG 3.52Å; L170-L213 HydrophobicContact CG-CD2 4.38Å; L170-I216 WeakPolarHBondContact O-CD1 3.45Å
171L93.2Very high87.7Confident80 Ų8063.9 Ų63.942%0.41933%0.325SS..  trans-112.7145.2176.7-58.3177.8000110.7R169 K173 Q174 C175R169-L171 HydrophobicContact CG-CD2 4.29Å; L171-K173 VanDerWaalsContact C-N 3.27Å; L171-K173 PolarHBondContact O-N 2.86Å; L171-Q174 HydrophobicContact CB-CB 4.41Å; L171-Q174 HydrophobicContact CB-CG 4.26Å; L171-Q174 WeakPolarHBondContact O-CB 3.42Å; L171-Q174 PolarHBondContact O-N 2.94Å; L171-C175 PolarHBondContact O-N 3.46Å; L171-C175 PolarHBondContact O-SG 3.21Å
172S92.9Very high87.8Confident54 Ų5464.1 Ų64.138%0.37833%0.332SS..Hα-helixtrans-56.8-41.4-178.4-165.60000112.8Q174 C175 N176 I216S172-Q174 VanDerWaalsContact C-N 3.33Å; S172-Q174 PolarHBondContact O-N 3.5Å; S172-C175 PolarHBondContact O-N 3.3Å; S172-N176 WeakPolarHBondContact O-CB 3.27Å; S172-N176 VanDerWaalsContact O-CG 3.24Å; S172-N176 PolarHBondContact O-N 2.92Å; S172-N176 PolarHBondContact O-ND2 2.94Å; S172-N176 VanDerWaalsContact O-ND2 3.16Å; S172-I216 PolarHBondContact OG-O 2.87Å; S172-I216 VanDerWaalsContact OG-O 3.06Å
173K92.9Very high88Confident184 Ų18463.9 Ų63.980%0.833%0.33SS*.Hα-helixtrans-60-43.7177.3-66.5-175.3179.1-178.70111.7L171 N176 L177L171-K173 VanDerWaalsContact C-N 3.27Å; L171-K173 PolarHBondContact O-N 2.86Å; K173-N176 PolarHBondContact O-N 3.28Å; K173-L177 VanDerWaalsContact O-CB 3.3Å; K173-L177 WeakPolarHBondContact O-CB 3.45Å; K173-L177 PolarHBondContact O-N 3.25Å
174Q93.4Very high88.6Confident15 Ų1560.3 Ų60.37%0.0731%0.307CS..Hα-helixtrans-68.3-43.7179.9-70.2169.8-3000111.4F145 C149 L171 S172 N176 L177 M178F145-Q174 HydrophobicContact CE1-CB 4.27Å; C149-Q174 HydrophobicContact CB-CB 4.07Å; C149-Q174 HydrophobicContact CB-CG 4.28Å; L171-Q174 HydrophobicContact CB-CB 4.41Å; L171-Q174 HydrophobicContact CB-CG 4.26Å; L171-Q174 WeakPolarHBondContact O-CB 3.42Å; L171-Q174 PolarHBondContact O-N 2.94Å; S172-Q174 VanDerWaalsContact C-N 3.33Å; S172-Q174 PolarHBondContact O-N 3.5Å; Q174-N176 PolarHBondContact O-N 2.8Å; Q174-L177 PolarHBondContact O-N 3.39Å; Q174-M178 WeakPolarHBondContact O-CB 3.44Å; Q174-M178 PolarHBondContact O-N 3.49Å
175C93.4Very high89.5Confident3 Ų355.7 Ų55.72%0.0229%0.287CS..Hα-helixtrans-60.2-45.5175.7-630000111.8L171 S172 M178 M179 A217 M224L171-C175 PolarHBondContact O-N 3.46Å; L171-C175 PolarHBondContact O-SG 3.21Å; S172-C175 PolarHBondContact O-N 3.3Å; C175-M178 PolarHBondContact O-N 3.29Å; C175-M179 WeakPolarHBondContact O-CB 3.45Å; C175-M179 VanDerWaalsContact O-CG 3.29Å; C175-M179 WeakPolarHBondContact O-CG 3.45Å; C175-M179 PolarHBondContact O-N 3.32Å; C175-A217 HydrophobicContact CB-CB 4.2Å; C175-M224 HydrophobicContact CB-SD 4.08Å
176N92.7Very high91.2Very high82 Ų8252 Ų5244%0.43926%0.262SS..Hα-helixtrans-65.4-41.2179.3-69-28.7000112S172 K173 Q174 M179 S180S172-N176 WeakPolarHBondContact O-CB 3.27Å; S172-N176 VanDerWaalsContact O-CG 3.24Å; S172-N176 PolarHBondContact O-N 2.92Å; S172-N176 PolarHBondContact O-ND2 2.94Å; S172-N176 VanDerWaalsContact O-ND2 3.16Å; K173-N176 PolarHBondContact O-N 3.28Å; Q174-N176 PolarHBondContact O-N 2.8Å; N176-M179 PolarHBondContact O-N 3.46Å; N176-S180 PolarHBondContact O-N 3.36Å; N176-S180 PolarHBondContact O-OG 3.47Å
177L93.7Very high92.8Very high64 Ų6451 Ų5134%0.33525%0.254SS..Hα-helixtrans-67.6-42.1178.6-177.861.8000112.1C149 E150 K173 Q174 M179 S180 R181C149-L177 WeakPolarHBondContact O-CD2 3.34Å; E150-L177 HydrophobicContact CB-CD2 4.08Å; E150-L177 HydrophobicContact CG-CD2 3.61Å; K173-L177 VanDerWaalsContact O-CB 3.3Å; K173-L177 WeakPolarHBondContact O-CB 3.45Å; K173-L177 PolarHBondContact O-N 3.25Å; Q174-L177 PolarHBondContact O-N 3.39Å; L177-M179 VanDerWaalsContact C-N 3.34Å; L177-M179 PolarHBondContact O-N 3.02Å; L177-S180 PolarHBondContact O-N 2.99Å; L177-S180 PolarHBondContact O-OG 3.12Å; L177-R181 WeakPolarHBondContact O-CD 3.27Å; L177-R181 WeakPolarHBondContact O-CG 3.42Å; L177-R181 PolarHBondContact O-N 3.5Å
178M94.1Very high93.7Very high1 Ų145.5 Ų45.51%0.00523%0.228CC..Hα-helixtrans-60.9-45.6175.3179.7-164.174.700110.6I158 Q174 C175 R181 G182 I183 L185 M224I158-M178 HydrophobicContact CD1-CG 4.12Å; I158-M178 HydrophobicContact CD1-SD 3.92Å; Q174-M178 WeakPolarHBondContact O-CB 3.44Å; Q174-M178 PolarHBondContact O-N 3.49Å; C175-M178 PolarHBondContact O-N 3.29Å; M178-R181 CarbonylContact O-C 3.58Å; M178-R181 PolarHBondContact O-N 3.24Å; M178-G182 PolarHBondContact O-N 2.78Å; M178-I183 HydrophobicContact CB-CB 4.48Å; M178-I183 HydrophobicContact CG-CB 3.43Å; M178-I183 VanDerWaalsContact CG-CB 3.43Å; M178-I183 HydrophobicContact CG-CG2 3.45Å; M178-I183 VanDerWaalsContact CG-CG2 3.45Å; M178-I183 WeakPolarHBondContact CG-O 3.46Å; M178-I183 WeakPolarHBondContact O-CB 3.25Å; M178-I183 PolarHBondContact O-N 3.2Å; M178-I183 HydrophobicContact SD-CG2 4.15Å; M178-L185 HydrophobicContact CE-CD1 4.23Å; M178-L185 HydrophobicContact CE-CD2 4.18Å; M178-L185 HydrophobicContact CE-CG 3.62Å; M178-L185 HydrophobicContact SD-CD2 3.59Å; M178-L185 VanDerWaalsContact SD-CD2 3.59Å; M178-L185 HydrophobicContact SD-CG 3.73Å; M178-M224 HydrophobicContact CE-CG 3.54Å; M178-M224 HydrophobicContact CE-SD 3.7Å
179M92.3Very high93.9Very high42 Ų4245.4 Ų45.421%0.20723%0.228CC..Hα-helixtrans-65.6-39.1177.4-72.7-58.2-62.200113.5C175 N176 L177 R181 G182 M224C175-M179 WeakPolarHBondContact O-CB 3.45Å; C175-M179 VanDerWaalsContact O-CG 3.29Å; C175-M179 WeakPolarHBondContact O-CG 3.45Å; C175-M179 PolarHBondContact O-N 3.32Å; N176-M179 PolarHBondContact O-N 3.46Å; L177-M179 VanDerWaalsContact C-N 3.34Å; L177-M179 PolarHBondContact O-N 3.02Å; M179-R181 PolarHBondContact O-N 2.84Å; M179-G182 PolarHBondContact O-N 3.31Å; M179-M224 HydrophobicContact CE-CB 4.22Å; M179-M224 HydrophobicContact CG-CB 4.33Å; M179-M224 HydrophobicContact CG-CG 4.09Å; M179-M224 HydrophobicContact CG-SD 4.1Å; M179-M224 HydrophobicContact SD-CB 3.49Å; M179-M224 WeakPolarHBondContact SD-CB 3.16Å; M179-M224 HydrophobicContact SD-CG 3.5Å; M179-M224 WeakPolarHBondContact SD-CG 3.4Å; M179-M224 HydrophobicContact SD-SD 4.29Å
180S92Very high94.1Very high94 Ų9436.5 Ų36.566%0.65720%0.195SC*.Hα-helixtrans-65.8-23.1176.668.60000112.6N176 L177N176-S180 PolarHBondContact O-N 3.36Å; N176-S180 PolarHBondContact O-OG 3.47Å; L177-S180 PolarHBondContact O-N 2.99Å; L177-S180 PolarHBondContact O-OG 3.12Å
181R92.9Very high94.2Very high70 Ų7037 Ų3726%0.26420%0.197SC..THydrogen-bonded Turntrans-89.92.9175.1-63.2171.469.4-149.8-10.5113.4A148 C149 A152 L177 M178 M179 I183 H272A148-R181 PolarHBondContact O-NH1 2.96Å; C149-R181 PolarHBondContact O-NH1 2.83Å; A152-R181 PolarHBondContact O-NH2 3.47Å; L177-R181 WeakPolarHBondContact O-CD 3.27Å; L177-R181 WeakPolarHBondContact O-CG 3.42Å; L177-R181 PolarHBondContact O-N 3.5Å; M178-R181 CarbonylContact O-C 3.58Å; M178-R181 PolarHBondContact O-N 3.24Å; M179-R181 PolarHBondContact O-N 2.84Å; R181-I183 VanDerWaalsContact C-N 3.25Å; R181-I183 HydrophobicContact CB-CD1 3.86Å; R181-I183 HydrophobicContact CB-CG1 4.16Å; R181-I183 PolarHBondContact O-N 2.97Å; R181-H272 PolarHBondContact O-NE2 3.34Å
182G92.4Very high94.2Very high22 Ų2233.5 Ų33.523%0.22718%0.179CC..THydrogen-bonded Turntrans75.210-178.900000114.8M178 M179 H184M178-G182 PolarHBondContact O-N 2.78Å; M179-G182 PolarHBondContact O-N 3.31Å; G182-H184 PolarHBondContact O-CE1 3.46Å; G182-H184 PolarHBondContact O-ND1 3.03Å
183I95.8Very high94.2Very high1 Ų131.9 Ų31.91%0.00517%0.167CC..  trans-87137.8-178.2-57.8161.5000109.2I155 D156 I158 M178 R181I155-I183 HydrophobicContact CD1-CD1 3.88Å; I155-I183 HydrophobicContact CD1-CG2 4.46Å; I155-I183 HydrophobicContact CG1-CD1 3.7Å; I155-I183 HydrophobicContact CG1-CG1 4.15Å; D156-I183 WeakPolarHBondContact O-CA 3.26Å; I158-I183 HydrophobicContact CD1-CG2 3.93Å; I158-I183 HydrophobicContact CG1-CG2 3.8Å; M178-I183 HydrophobicContact CB-CB 4.48Å; M178-I183 HydrophobicContact CG-CB 3.43Å; M178-I183 VanDerWaalsContact CG-CB 3.43Å; M178-I183 HydrophobicContact CG-CG2 3.45Å; M178-I183 VanDerWaalsContact CG-CG2 3.45Å; M178-I183 WeakPolarHBondContact CG-O 3.46Å; M178-I183 WeakPolarHBondContact O-CB 3.25Å; M178-I183 PolarHBondContact O-N 3.2Å; M178-I183 HydrophobicContact SD-CG2 4.15Å; R181-I183 VanDerWaalsContact C-N 3.25Å; R181-I183 HydrophobicContact CB-CD1 3.86Å; R181-I183 HydrophobicContact CB-CG1 4.16Å; R181-I183 PolarHBondContact O-N 2.97Å
184H96.8Very high94.1Very high14 Ų1427.6 Ų27.67%0.06515%0.145CC..EExtended strand (participates in β ladder)trans-115.1154.5-179.9-62.464.9000111.3D156 L157 I158 G182 N223 M224 V226 V269D156-H184 PolarHBondContact O-N 3.13Å; D156-H184 VanDerWaalsContact O-N 3.12Å; L157-H184 CarbonylContact C-O 3.56Å; L157-H184 WeakPolarHBondContact CA-O 3.26Å; L157-H184 HydrophobicContact CD2-CB 3.91Å; I158-H184 PolarHBondContact N-O 3.18Å; G182-H184 PolarHBondContact O-CE1 3.46Å; G182-H184 PolarHBondContact O-ND1 3.03Å; H184-N223 PolarHBondContact CD2-O 2.89Å; H184-N223 PolarHBondContact NE2-O 3.32Å; H184-M224 WeakPolarHBondContact CB-O 3.23Å; H184-V226 HydrophobicContact CB-CG2 4.04Å; H184-V269 HydrophobicContact CB-CG2 3.68Å; H184-V269 WeakPolarHBondContact ND1-CG2 3.42Å
185L96.7Very high93.6Very high0 Ų032.6 Ų32.60%018%0.182CC..EExtended strand (participates in β ladder)trans-87.1133.8171.6-69.7175.2000109.7F145 I158 L160 L170 M178 L213 M224 I225 V226F145-L185 HydrophobicContact CE2-CD2 4.18Å; I158-L185 HydrophobicContact CB-CD2 4Å; I158-L185 HydrophobicContact CG2-CD2 4.02Å; I158-L185 CarbonylContact O-C 3.53Å; I158-L185 WeakPolarHBondContact O-CA 3.46Å; L160-L185 HydrophobicContact CD1-CD2 4.24Å; L160-L185 HydrophobicContact CG-CD2 4.5Å; L170-L185 HydrophobicContact CD1-CD1 4.33Å; M178-L185 HydrophobicContact CE-CD1 4.23Å; M178-L185 HydrophobicContact CE-CD2 4.18Å; M178-L185 HydrophobicContact CE-CG 3.62Å; M178-L185 HydrophobicContact SD-CD2 3.59Å; M178-L185 VanDerWaalsContact SD-CD2 3.59Å; M178-L185 HydrophobicContact SD-CG 3.73Å; L185-L213 HydrophobicContact CD1-CD1 3.83Å; L185-L213 HydrophobicContact CD1-CD2 3.88Å; L185-L213 HydrophobicContact CD1-CG 4.45Å; L185-M224 HydrophobicContact CD1-CE 4.14Å; L185-M224 HydrophobicContact CD1-CG 4.45Å; L185-M224 HydrophobicContact CD1-SD 4.3Å; L185-M224 HydrophobicContact CG-CG 4.46Å; L185-M224 PolarHBondContact N-O 3.25Å; L185-I225 CarbonylContact O-C 3.56Å; L185-I225 WeakPolarHBondContact O-CA 3.39Å; L185-V226 PolarHBondContact O-N 2.94Å
186E97.2Very high92.9Very high0 Ų035.1 Ų35.10%020%0.199CC..EExtended strand (participates in β ladder)trans-113.2138.3175.1-177.6-172.3-128.600111.8R107 L157 I158 S159 L160 V226 S228R107-E186 IonicContact CZ-OE1 3.71Å; R107-E186 IonicContact CZ-OE2 3.26Å; R107-E186 VanDerWaalsContact CZ-OE2 3.26Å; R107-E186 IonicContact NH1-OE1 2.69Å; R107-E186 PolarHBondContact NH1-OE1 3.44Å; R107-E186 IonicContact NH1-OE2 2.99Å; R107-E186 PolarHBondContact NH1-OE2 3.31Å; R107-E186 IonicContact NH2-OE1 3.61Å; R107-E186 IonicContact NH2-OE2 3.81Å; R107-E186 PolarHBondContact NH2-OE2 2.56Å; L157-E186 HydrophobicContact CD2-CB 4.32Å; I158-E186 PolarHBondContact O-N 3.38Å; S159-E186 WeakPolarHBondContact CB-OE2 3.29Å; S159-E186 PolarHBondContact OG-OE2 3.21Å; L160-E186 PolarHBondContact N-O 2.87Å; E186-V226 VanDerWaalsContact CA-O 3.31Å; E186-V226 WeakPolarHBondContact CA-O 3.4Å; E186-V226 HydrophobicContact CB-CB 4.45Å; E186-V226 HydrophobicContact CG-CG1 4.4Å; E186-S228 WeakPolarHBondContact OE1-CB 3.42Å; E186-S228 PolarHBondContact OE1-OG 3.16Å
187F96.2Very high91.8Very high1 Ų137.5 Ų37.50%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-120.1135.2166.7-58.7-75.1000110.8L160 L162 L206 Y209 F210 L213 I225 V226 V227 S228L160-F187 HydrophobicContact CB-CD1 4.14Å; L160-F187 HydrophobicContact CB-CE1 3.86Å; L160-F187 HydrophobicContact CD1-CE1 3.62Å; L160-F187 HydrophobicContact CD1-CZ 3.88Å; L160-F187 HydrophobicContact CG-CE1 4.27Å; L162-F187 HydrophobicContact CD2-CD1 3.91Å; L162-F187 HydrophobicContact CD2-CE1 4.42Å; F187-L206 HydrophobicContact CB-CD1 3.72Å; F187-L206 HydrophobicContact CD1-CD1 3.54Å; F187-L206 HydrophobicContact CD2-CD1 3.92Å; F187-L206 HydrophobicContact CE1-CD1 4.07Å; F187-L206 HydrophobicContact CE2-CD1 4.43Å; F187-L206 HydrophobicContact CG-CD1 3.44Å; F187-L206 VanDerWaalsContact CG-CD1 3.44Å; F187-L206 HydrophobicContact CZ-CD1 4.49Å; F187-Y209 AromaticContact CE1-CD2 3.71Å; F187-Y209 HydrophobicContact CE1-CD2 3.71Å; F187-Y209 HydrophobicContact CE1-CE2 4.36Å; F187-Y209 AromaticContact CE1-CG 3.79Å; F187-Y209 HydrophobicContact CE1-CG 3.79Å; F187-Y209 HydrophobicContact CZ-CD2 4.44Å; F187-Y209 HydrophobicContact CZ-CG 4.07Å; F187-F210 AromaticContact CD2-CE1 3.93Å; F187-F210 HydrophobicContact CD2-CE1 3.93Å; F187-F210 HydrophobicContact CE2-CD1 4.46Å; F187-F210 AromaticContact CE2-CE1 3.97Å; F187-F210 HydrophobicContact CE2-CE1 3.97Å; F187-L213 HydrophobicContact CE2-CD1 4.1Å; F187-L213 HydrophobicContact CZ-CD1 4.04Å; F187-I225 HydrophobicContact CD2-CG2 3.82Å; F187-I225 HydrophobicContact CE2-CG1 4.4Å; F187-I225 HydrophobicContact CE2-CG2 4.09Å; F187-V226 PolarHBondContact N-O 3.09Å; F187-V227 WeakPolarHBondContact O-CA 3.3Å; F187-S228 PolarHBondContact O-N 3.47Å
188Q95.7Very high90.6Very high34 Ų3436.9 Ų36.916%0.15923%0.232CC..EExtended strand (participates in β ladder)trans-86135175.2-68.7175.1-12.700111D9 L162 P191 S228D9-Q188 PolarHBondContact OD2-NE2 3.44Å; L162-Q188 WeakPolarHBondContact CD1-O 3.26Å; Q188-P191 HydrophobicContact CB-CG 4.28Å; Q188-S228 CarbonylContact C-O 3.56Å; Q188-S228 WeakPolarHBondContact CA-O 3.03Å
189L95.5Very high89.5Confident5 Ų543.2 Ų43.23%0.02627%0.271CS..SBendtrans-81.2-33179.9-174.465.7000113.2V192 L193 V227 S228 S229 R238 V243 M246L189-V192 HydrophobicContact CD1-CB 4.37Å; L189-V192 VanDerWaalsContact O-CB 3.23Å; L189-V192 WeakPolarHBondContact O-CB 3.35Å; L189-V192 PolarHBondContact O-N 3Å; L189-L193 HydrophobicContact CD2-CD1 4.47Å; L189-L193 HydrophobicContact CG-CD1 4.27Å; L189-L193 HydrophobicContact CG-CG 4.28Å; L189-L193 PolarHBondContact O-N 2.76Å; L189-V227 HydrophobicContact CB-CG1 4.32Å; L189-S228 PolarHBondContact N-O 2.84Å; L189-S229 PolarHBondContact N-O 3.33Å; L189-R238 HydrophobicContact CD2-CB 4.29Å; L189-R238 HydrophobicContact CD2-CG 4.41Å; L189-V243 HydrophobicContact CD2-CB 4.39Å; L189-V243 HydrophobicContact CD2-CG1 4.07Å; L189-V243 HydrophobicContact CD2-CG2 3.61Å; L189-M246 HydrophobicContact CD1-CE 4.01Å; L189-M246 HydrophobicContact CD2-CE 3.84Å; L189-M246 HydrophobicContact CG-CE 4.4Å
190A95.1Very high88.6Confident0 Ų047.8 Ų47.80%029%0.287CS..Hα-helixtrans-54.2-46.1-175.300000113.7V192 L193 R194 S229 G230 E236A190-V192 PolarHBondContact O-N 2.85Å; A190-V192 VanDerWaalsContact O-N 3.16Å; A190-L193 PolarHBondContact O-N 2.93Å; A190-L193 VanDerWaalsContact O-N 3.12Å; A190-R194 WeakPolarHBondContact O-CG 3.35Å; A190-R194 PolarHBondContact O-N 2.82Å; A190-S229 WeakPolarHBondContact CB-O 3.24Å; A190-S229 PolarHBondContact N-O 2.96Å; A190-G230 WeakPolarHBondContact CB-O 3.11Å; A190-E236 HydrophobicContact CB-CB 3.99Å; A190-E236 HydrophobicContact CB-CG 4.2Å
191P93.1Very high88.4Confident10 Ų1044.6 Ų44.67%0.06527%0.265CS..Hα-helixtrans-56.2-31.7174.7-27.936.9000114.5L162 T163 Q188 A202L162-P191 HydrophobicContact CB-CB 4.3Å; T163-P191 HydrophobicContact CG2-CB 3.82Å; T163-P191 HydrophobicContact CG2-CG 3.93Å; Q188-P191 HydrophobicContact CB-CG 4.28Å; P191-A202 HydrophobicContact CB-CB 3.89Å; P191-A202 WeakPolarHBondContact O-CB 3.47Å
192V93.4Very high88.4Confident7 Ų741.8 Ų41.84%0.04226%0.256CS..Hα-helixtrans-72.7-32.3-178.4-174.60000111.5L162 L189 A190 R203 L206 L250L162-V192 HydrophobicContact CD1-CG2 3.75Å; L189-V192 HydrophobicContact CD1-CB 4.37Å; L189-V192 VanDerWaalsContact O-CB 3.23Å; L189-V192 WeakPolarHBondContact O-CB 3.35Å; L189-V192 PolarHBondContact O-N 3Å; A190-V192 PolarHBondContact O-N 2.85Å; A190-V192 VanDerWaalsContact O-N 3.16Å; V192-R203 HydrophobicContact CG1-CG 3.59Å; V192-R203 PolarHBondContact O-NE 3.25Å; V192-R203 PolarHBondContact O-NH2 3.31Å; V192-L206 HydrophobicContact CG2-CD2 3.68Å; V192-L250 HydrophobicContact CG1-CD1 3.76Å
193L93.3Very high88.3Confident21 Ų2146.2 Ų46.211%0.1127%0.266CS..Hα-helixtrans-78.1-32.6-179.6-63.5177.1000112.2L189 A190 W235 E236 R238 M246L189-L193 HydrophobicContact CD2-CD1 4.47Å; L189-L193 HydrophobicContact CG-CD1 4.27Å; L189-L193 HydrophobicContact CG-CG 4.28Å; L189-L193 PolarHBondContact O-N 2.76Å; A190-L193 PolarHBondContact O-N 2.93Å; A190-L193 VanDerWaalsContact O-N 3.12Å; L193-W235 HydrophobicContact CB-CH2 3.76Å; L193-W235 HydrophobicContact CB-CZ3 3.61Å; L193-W235 WeakPolarHBondContact O-CH2 3.17Å; L193-E236 HydrophobicContact CD1-CB 4.43Å; L193-E236 WeakPolarHBondContact CD1-O 3.03Å; L193-R238 HydrophobicContact CD1-CG 3.97Å; L193-R238 HydrophobicContact CD2-CG 4.49Å; L193-M246 HydrophobicContact CD2-CE 4.14Å; L193-M246 HydrophobicContact CD2-SD 3.64Å
194R91.2Very high88.1Confident94 Ų9449.8 Ų49.836%0.35529%0.291SS..SBendtrans-61.9150.6179.7-66.7171.1-169.1157.64.6111.4A190 S196 E236A190-R194 WeakPolarHBondContact O-CG 3.35Å; A190-R194 PolarHBondContact O-N 2.82Å; R194-S196 PolarHBondContact O-N 2.83Å; R194-E236 IonicContact CZ-OE1 2.76Å; R194-E236 VanDerWaalsContact CZ-OE1 3.22Å; R194-E236 IonicContact NE-OE1 2.84Å; R194-E236 PolarHBondContact NE-OE1 3.02Å; R194-E236 IonicContact NH2-OE1 3.23Å; R194-E236 PolarHBondContact NH2-OE1 3.32Å; R194-E236 IonicContact NH2-OE2 2.7Å; R194-E236 PolarHBondContact NH2-OE2 3.29Å
195S82.7Confident87.9Confident120 Ų12050.2 Ų50.284%0.83929%0.294SS*.PPolyproline II helixtrans-70.7126.3170.7-167.70000108.9
196S77.4Confident87.7Confident55 Ų5550.3 Ų50.339%0.38530%0.295SS..PPolyproline II helixtrans-91.5129.8173.2-174.20000109.6R194 G198 Y200R194-S196 PolarHBondContact O-N 2.83Å; S196-G198 PolarHBondContact OG-N 3.41Å; S196-Y200 PolarHBondContact OG-O 3.18Å; S196-Y200 VanDerWaalsContact OG-O 3.1Å
197S69.8Low87.5Confident132 Ų13252.2 Ų52.292%0.92331%0.309SS*.  trans-103.61.4167.9-173.70000112.3
198G69.7Low87.3Confident52 Ų5258.9 Ų58.954%0.53634%0.34SS..SBendtrans-97.6168.9-173.800000113.9S196 Y200S196-G198 PolarHBondContact OG-N 3.41Å; G198-Y200 PolarHBondContact O-N 2.88Å; G198-Y200 VanDerWaalsContact O-N 3.15Å
199T69.4Low87.2Confident133 Ų13358.1 Ų58.182%0.81634%0.335SS*.SBendtrans-54.8-30.8175-49.80000112.7
200Y75Confident87.1Confident139 Ų13957.9 Ų57.955%0.54533%0.334SS..SBendtrans-116.1130.8177.9-53.5-79.2000110.3S196 G198S196-Y200 PolarHBondContact OG-O 3.18Å; S196-Y200 VanDerWaalsContact OG-O 3.1Å; G198-Y200 PolarHBondContact O-N 2.88Å; G198-Y200 VanDerWaalsContact O-N 3.15Å
201S87.5Confident87Confident27 Ų2760.9 Ų60.919%0.18936%0.355CS..  trans-94.1137.6169-179.90000109.5R203 S204 V205S201-R203 PolarHBondContact O-N 2.87Å; S201-R203 PolarHBondContact OG-N 3.31Å; S201-S204 WeakPolarHBondContact O-CB 3.01Å; S201-S204 PolarHBondContact O-N 3.46Å; S201-V205 PolarHBondContact O-N 3.4Å; S201-V205 VanDerWaalsContact O-N 3.1Å
202A91.6Very high87Confident10 Ų1062.1 Ų62.18%0.08336%0.364CS..Hα-helixtrans-53-29.1172.700000112.3L162 P191 L206L162-A202 HydrophobicContact CB-CB 3.98Å; P191-A202 HydrophobicContact CB-CB 3.89Å; P191-A202 WeakPolarHBondContact O-CB 3.47Å; A202-L206 VanDerWaalsContact O-CB 3.26Å; A202-L206 WeakPolarHBondContact O-CB 3.36Å; A202-L206 PolarHBondContact O-N 3.48Å
203R92Very high86.9Confident115 Ų11561.8 Ų61.843%0.43436%0.362SS..Hα-helixtrans-62-47.6173.3-64.7170.5-161.9161.97.8112V192 S201 L206 S207 L250V192-R203 HydrophobicContact CG1-CG 3.59Å; V192-R203 PolarHBondContact O-NE 3.25Å; V192-R203 PolarHBondContact O-NH2 3.31Å; S201-R203 PolarHBondContact O-N 2.87Å; S201-R203 PolarHBondContact OG-N 3.31Å; R203-L206 PolarHBondContact O-N 3.31Å; R203-S207 WeakPolarHBondContact O-CB 3.46Å; R203-S207 PolarHBondContact O-N 3.45Å; R203-L250 HydrophobicContact CB-CD2 3.92Å; R203-L250 HydrophobicContact CG-CD2 4.38Å
204S90.7Very high86.8Confident76 Ų7664.1 Ų64.153%0.53137%0.374SS..Hα-helixtrans-67-42.9-179.7-53.90000111.1S201 S207 Q208S201-S204 WeakPolarHBondContact O-CB 3.01Å; S201-S204 PolarHBondContact O-N 3.46Å; S204-S207 PolarHBondContact O-N 3.46Å; S204-Q208 WeakPolarHBondContact O-CB 3.23Å; S204-Q208 PolarHBondContact O-N 3.46Å
205V92.2Very high86.8Confident23 Ų2363.4 Ų63.414%0.13938%0.383CS..Hα-helixtrans-61.1-47.1176.2177.10000110.7L162 S201 S207 Q208 Y209L162-V205 HydrophobicContact CD2-CG1 3.93Å; S201-V205 PolarHBondContact O-N 3.4Å; S201-V205 VanDerWaalsContact O-N 3.1Å; V205-S207 PolarHBondContact O-N 2.85Å; V205-Q208 WeakPolarHBondContact O-CB 3.48Å; V205-Q208 PolarHBondContact O-N 3.13Å; V205-Y209 HydrophobicContact CG1-CD2 3.84Å; V205-Y209 HydrophobicContact CG1-CE2 3.5Å; V205-Y209 VanDerWaalsContact CG1-CE2 3.5Å; V205-Y209 VanDerWaalsContact O-CD2 3.24Å; V205-Y209 WeakPolarHBondContact O-CD2 3.29Å; V205-Y209 PolarHBondContact O-N 3.34Å
206L93.5Very high87.3Confident2 Ų260 Ų601%0.0136%0.355CS..Hα-helixtrans-63.2-42.1178-174.856000112.5L162 F187 V192 A202 R203 Q208 Y209 F210 L247 L250L162-L206 HydrophobicContact CD1-CB 4.04Å; L162-L206 HydrophobicContact CD1-CD1 4.18Å; L162-L206 HydrophobicContact CD1-CD2 4.1Å; L162-L206 HydrophobicContact CD1-CG 4.35Å; L162-L206 HydrophobicContact CD2-CB 4.11Å; L162-L206 HydrophobicContact CD2-CD1 4.19Å; F187-L206 HydrophobicContact CB-CD1 3.72Å; F187-L206 HydrophobicContact CD1-CD1 3.54Å; F187-L206 HydrophobicContact CD2-CD1 3.92Å; F187-L206 HydrophobicContact CE1-CD1 4.07Å; F187-L206 HydrophobicContact CE2-CD1 4.43Å; F187-L206 HydrophobicContact CG-CD1 3.44Å; F187-L206 VanDerWaalsContact CG-CD1 3.44Å; F187-L206 HydrophobicContact CZ-CD1 4.49Å; V192-L206 HydrophobicContact CG2-CD2 3.68Å; A202-L206 VanDerWaalsContact O-CB 3.26Å; A202-L206 WeakPolarHBondContact O-CB 3.36Å; A202-L206 PolarHBondContact O-N 3.48Å; R203-L206 PolarHBondContact O-N 3.31Å; L206-Q208 VanDerWaalsContact C-N 3.33Å; L206-Q208 PolarHBondContact O-N 3.29Å; L206-Y209 PolarHBondContact O-N 2.96Å; L206-F210 HydrophobicContact CD1-CD1 4.39Å; L206-F210 HydrophobicContact CD1-CE1 3.72Å; L206-F210 HydrophobicContact CD1-CE2 3.98Å; L206-F210 HydrophobicContact CD1-CZ 3.49Å; L206-F210 VanDerWaalsContact CD1-CZ 3.49Å; L206-F210 HydrophobicContact CD2-CE2 4.09Å; L206-F210 HydrophobicContact CD2-CZ 4.05Å; L206-F210 HydrophobicContact CG-CD2 4.29Å; L206-F210 HydrophobicContact CG-CE1 4.34Å; L206-F210 HydrophobicContact CG-CE2 3.67Å; L206-F210 HydrophobicContact CG-CZ 3.69Å; L206-F210 PolarHBondContact O-N 2.92Å; L206-L247 HydrophobicContact CD2-CD2 4.42Å; L206-L250 HydrophobicContact CD2-CD1 3.78Å; L206-L250 HydrophobicContact CG-CD1 4.4Å
207S93Very high87.7Confident41 Ų4157.6 Ų57.629%0.28734%0.338SS..Hα-helixtrans-63.4-38.8176.6-172.10000112.5R203 S204 V205 F210 S211 L250R203-S207 WeakPolarHBondContact O-CB 3.46Å; R203-S207 PolarHBondContact O-N 3.45Å; S204-S207 PolarHBondContact O-N 3.46Å; V205-S207 PolarHBondContact O-N 2.85Å; S207-F210 PolarHBondContact O-N 2.95Å; S207-S211 WeakPolarHBondContact O-CB 3.49Å; S207-S211 PolarHBondContact O-N 3.22Å; S207-S211 PolarHBondContact O-OG 3.44Å; S207-L250 WeakPolarHBondContact CA-O 3.13Å; S207-L250 VanDerWaalsContact CB-O 3.29Å; S207-L250 WeakPolarHBondContact CB-O 3.39Å; S207-L250 PolarHBondContact OG-O 2.98Å
208Q92.4Very high88.3Confident141 Ų14160.1 Ų60.166%0.65933%0.327SS*.Hα-helixtrans-62.7-42.6173.3-179.5178.1-12.800111.5S204 V205 L206 S211 S212S204-Q208 WeakPolarHBondContact O-CB 3.23Å; S204-Q208 PolarHBondContact O-N 3.46Å; V205-Q208 WeakPolarHBondContact O-CB 3.48Å; V205-Q208 PolarHBondContact O-N 3.13Å; L206-Q208 VanDerWaalsContact C-N 3.33Å; L206-Q208 PolarHBondContact O-N 3.29Å; Q208-S211 PolarHBondContact O-N 3.12Å; Q208-S212 WeakPolarHBondContact O-CB 3.41Å; Q208-S212 PolarHBondContact O-N 3.16Å
209Y93.4Very high88.8Confident17 Ų1767.4 Ų67.47%0.06734%0.344CS..Hα-helixtrans-61.7-46.2174.7-79.8-57.2000112.1L160 L162 L170 F187 V205 L206 S211 S212 L213L160-Y209 HydrophobicContact CD1-CD1 4.21Å; L160-Y209 HydrophobicContact CD1-CE1 3.93Å; L162-Y209 HydrophobicContact CD2-CD2 3.99Å; L162-Y209 HydrophobicContact CD2-CE2 4.12Å; L170-Y209 HydrophobicContact CD1-CD1 3.58Å; L170-Y209 HydrophobicContact CD1-CE1 4.06Å; L170-Y209 HydrophobicContact CG-CD1 4.18Å; L170-Y209 HydrophobicContact CG-CE1 4.2Å; F187-Y209 AromaticContact CE1-CD2 3.71Å; F187-Y209 HydrophobicContact CE1-CD2 3.71Å; F187-Y209 HydrophobicContact CE1-CE2 4.36Å; F187-Y209 AromaticContact CE1-CG 3.79Å; F187-Y209 HydrophobicContact CE1-CG 3.79Å; F187-Y209 HydrophobicContact CZ-CD2 4.44Å; F187-Y209 HydrophobicContact CZ-CG 4.07Å; V205-Y209 HydrophobicContact CG1-CD2 3.84Å; V205-Y209 HydrophobicContact CG1-CE2 3.5Å; V205-Y209 VanDerWaalsContact CG1-CE2 3.5Å; V205-Y209 VanDerWaalsContact O-CD2 3.24Å; V205-Y209 WeakPolarHBondContact O-CD2 3.29Å; V205-Y209 PolarHBondContact O-N 3.34Å; L206-Y209 PolarHBondContact O-N 2.96Å; Y209-S211 PolarHBondContact O-N 3.37Å; Y209-S212 PolarHBondContact O-N 2.96Å; Y209-L213 VanDerWaalsContact O-CB 3.25Å; Y209-L213 WeakPolarHBondContact O-CB 3.5Å; Y209-L213 VanDerWaalsContact O-CG 3.26Å; Y209-L213 WeakPolarHBondContact O-CG 3.22Å; Y209-L213 PolarHBondContact O-N 2.84Å
210F93.7Very high89.5Confident0 Ų062.7 Ų62.70%032%0.317CS..Hα-helixtrans-60.3-44.3176.5-67.1-24.5000112.4F187 L206 S207 S212 L213 L214 I225 L247 L250 L252F187-F210 AromaticContact CD2-CE1 3.93Å; F187-F210 HydrophobicContact CD2-CE1 3.93Å; F187-F210 HydrophobicContact CE2-CD1 4.46Å; F187-F210 AromaticContact CE2-CE1 3.97Å; F187-F210 HydrophobicContact CE2-CE1 3.97Å; L206-F210 HydrophobicContact CD1-CD1 4.39Å; L206-F210 HydrophobicContact CD1-CE1 3.72Å; L206-F210 HydrophobicContact CD1-CE2 3.98Å; L206-F210 HydrophobicContact CD1-CZ 3.49Å; L206-F210 VanDerWaalsContact CD1-CZ 3.49Å; L206-F210 HydrophobicContact CD2-CE2 4.09Å; L206-F210 HydrophobicContact CD2-CZ 4.05Å; L206-F210 HydrophobicContact CG-CD2 4.29Å; L206-F210 HydrophobicContact CG-CE1 4.34Å; L206-F210 HydrophobicContact CG-CE2 3.67Å; L206-F210 HydrophobicContact CG-CZ 3.69Å; L206-F210 PolarHBondContact O-N 2.92Å; S207-F210 PolarHBondContact O-N 2.95Å; F210-S212 PolarHBondContact O-N 3.37Å; F210-L213 PolarHBondContact O-N 3.39Å; F210-L214 VanDerWaalsContact O-CB 3.27Å; F210-L214 WeakPolarHBondContact O-CB 3.3Å; F210-L214 PolarHBondContact O-N 3.26Å; F210-I225 HydrophobicContact CD1-CD1 4.06Å; F210-I225 HydrophobicContact CE1-CD1 4.11Å; F210-I225 HydrophobicContact CE1-CG2 4.36Å; F210-L247 HydrophobicContact CE2-CD2 4Å; F210-L247 HydrophobicContact CZ-CD2 3.84Å; F210-L250 HydrophobicContact CD2-CB 4.22Å; F210-L250 HydrophobicContact CE2-CB 4.13Å; F210-L252 HydrophobicContact CD1-CD1 3.97Å; F210-L252 HydrophobicContact CD2-CB 3.85Å; F210-L252 HydrophobicContact CE1-CD1 3.99Å; F210-L252 HydrophobicContact CE2-CB 3.78Å; F210-L252 HydrophobicContact CG-CB 4.33Å; F210-L252 HydrophobicContact CG-CD1 4.29Å; F210-L252 HydrophobicContact CZ-CB 4.2Å; F210-L252 HydrophobicContact CZ-CD1 4.31Å; F210-L252 HydrophobicContact CZ-CD2 4.27Å
211S92.3Very high90.1Very high63 Ų6356.1 Ų56.144%0.44129%0.291SS..Hα-helixtrans-61.6-44.8177.1-590000111.9S207 Q208 Y209 C215S207-S211 WeakPolarHBondContact O-CB 3.49Å; S207-S211 PolarHBondContact O-N 3.22Å; S207-S211 PolarHBondContact O-OG 3.44Å; Q208-S211 PolarHBondContact O-N 3.12Å; Y209-S211 PolarHBondContact O-N 3.37Å; S211-C215 PolarHBondContact O-N 3.43Å; S211-C215 PolarHBondContact O-SG 2.96Å; S211-C215 VanDerWaalsContact O-SG 3.41Å
212S92Very high90.1Very high37 Ų3756.7 Ų56.726%0.25929%0.293SS..Hα-helixtrans-62.7-48.9177.1-1750000111.6Q208 Y209 F210 L214 C215 I216Q208-S212 WeakPolarHBondContact O-CB 3.41Å; Q208-S212 PolarHBondContact O-N 3.16Å; Y209-S212 PolarHBondContact O-N 2.96Å; F210-S212 PolarHBondContact O-N 3.37Å; S212-L214 PolarHBondContact O-N 3.41Å; S212-C215 PolarHBondContact O-N 3.48Å; S212-I216 VanDerWaalsContact O-CB 3.28Å; S212-I216 WeakPolarHBondContact O-CB 3.36Å; S212-I216 WeakPolarHBondContact O-CG1 3.44Å; S212-I216 PolarHBondContact O-N 2.93Å; S212-I216 WeakPolarHBondContact OG-CD1 3.18Å
213L92.9Very high90Very high0 Ų060 Ų600%031%0.31CS..Hα-helixtrans-64.8-38.9-179.1-76.4178.8000112.7L170 L185 F187 Y209 F210 C215 I216 A217 F221 M224 I225L170-L213 HydrophobicContact CB-CD2 4.3Å; L170-L213 HydrophobicContact CD1-CD1 4.04Å; L170-L213 HydrophobicContact CD1-CD2 3.33Å; L170-L213 HydrophobicContact CD1-CG 3.52Å; L170-L213 HydrophobicContact CG-CD2 4.38Å; L185-L213 HydrophobicContact CD1-CD1 3.83Å; L185-L213 HydrophobicContact CD1-CD2 3.88Å; L185-L213 HydrophobicContact CD1-CG 4.45Å; F187-L213 HydrophobicContact CE2-CD1 4.1Å; F187-L213 HydrophobicContact CZ-CD1 4.04Å; Y209-L213 VanDerWaalsContact O-CB 3.25Å; Y209-L213 WeakPolarHBondContact O-CB 3.5Å; Y209-L213 VanDerWaalsContact O-CG 3.26Å; Y209-L213 WeakPolarHBondContact O-CG 3.22Å; Y209-L213 PolarHBondContact O-N 2.84Å; F210-L213 PolarHBondContact O-N 3.39Å; L213-C215 VanDerWaalsContact C-N 3.32Å; L213-C215 PolarHBondContact O-N 2.9Å; L213-I216 PolarHBondContact O-N 2.84Å; L213-A217 WeakPolarHBondContact O-CA 3.37Å; L213-A217 WeakPolarHBondContact O-CB 3.25Å; L213-A217 PolarHBondContact O-N 3.23Å; L213-F221 HydrophobicContact CB-CD2 3.69Å; L213-F221 HydrophobicContact CB-CE2 3.53Å; L213-M224 HydrophobicContact CB-CE 4.19Å; L213-M224 HydrophobicContact CD1-CE 3.92Å; L213-M224 HydrophobicContact CD2-CE 3.34Å; L213-M224 HydrophobicContact CG-CE 4.01Å; L213-I225 HydrophobicContact CD1-CD1 4.01Å; L213-I225 HydrophobicContact CD1-CG1 4.22Å
214L91.1Very high90.1Very high70 Ų7054.5 Ų54.537%0.36629%0.289SS..Hα-helixtrans-61.8-41.9175.9-177.763.1000111F210 S212 R218 F221F210-L214 VanDerWaalsContact O-CB 3.27Å; F210-L214 WeakPolarHBondContact O-CB 3.3Å; F210-L214 PolarHBondContact O-N 3.26Å; S212-L214 PolarHBondContact O-N 3.41Å; L214-R218 WeakPolarHBondContact O-CG 3.46Å; L214-F221 HydrophobicContact CB-CD2 4.41Å; L214-F221 HydrophobicContact CB-CE2 4.11Å; L214-F221 HydrophobicContact CB-CZ 4.3Å; L214-F221 HydrophobicContact CD1-CD1 4.18Å; L214-F221 HydrophobicContact CD1-CE1 4.3Å; L214-F221 HydrophobicContact CD1-CG 4.4Å
215C91.3Very high90.4Very high78 Ų7851 Ų5153%0.52726%0.264SS..Hα-helixtrans-66.9-38.8176.9-73.90000113S211 S212 L213 R218S211-C215 PolarHBondContact O-N 3.43Å; S211-C215 PolarHBondContact O-SG 2.96Å; S211-C215 VanDerWaalsContact O-SG 3.41Å; S212-C215 PolarHBondContact O-N 3.48Å; L213-C215 VanDerWaalsContact C-N 3.32Å; L213-C215 PolarHBondContact O-N 2.9Å; C215-R218 PolarHBondContact O-NH1 3.34Å
216I91.9Very high90.6Very high49 Ų4949.9 Ų49.925%0.25126%0.257SS..Hα-helixtrans-94-33-166.2-69.8178.4000113.2L170 S172 S212 L213L170-I216 WeakPolarHBondContact O-CD1 3.45Å; S172-I216 PolarHBondContact OG-O 2.87Å; S172-I216 VanDerWaalsContact OG-O 3.06Å; S212-I216 VanDerWaalsContact O-CB 3.28Å; S212-I216 WeakPolarHBondContact O-CB 3.36Å; S212-I216 WeakPolarHBondContact O-CG1 3.44Å; S212-I216 PolarHBondContact O-N 2.93Å; S212-I216 WeakPolarHBondContact OG-CD1 3.18Å; L213-I216 PolarHBondContact O-N 2.84Å
217A87.3Confident90.8Very high5 Ų550 Ų504%0.04126%0.259CS..  trans-125.228.3-168.600000113.2C175 L213 K219 S220 F221 M224C175-A217 HydrophobicContact CB-CB 4.2Å; L213-A217 WeakPolarHBondContact O-CA 3.37Å; L213-A217 WeakPolarHBondContact O-CB 3.25Å; L213-A217 PolarHBondContact O-N 3.23Å; A217-K219 VanDerWaalsContact C-N 3.27Å; A217-K219 PolarHBondContact O-N 3.29Å; A217-S220 PolarHBondContact O-N 3.31Å; A217-F221 WeakPolarHBondContact O-CB 3.32Å; A217-F221 PolarHBondContact O-N 3.04Å; A217-M224 HydrophobicContact CB-CE 3.77Å; A217-M224 HydrophobicContact CB-SD 4.2Å
218R81.9Confident90.9Very high184 Ų18448.2 Ų48.269%0.69425%0.246SC*.THydrogen-bonded Turntrans-32.6-50.7-174.7-70.4-174.2-179.6103.5-0.5115.9L214 C215L214-R218 WeakPolarHBondContact O-CG 3.46Å; C215-R218 PolarHBondContact O-NH1 3.34Å
219K80.5Confident91.1Very high205 Ų20541.9 Ų41.989%0.89122%0.217SC*.THydrogen-bonded Turntrans-71.6-36.7-175.7-65.6-175.2179.6-178.10113.6A217A217-K219 VanDerWaalsContact C-N 3.27Å; A217-K219 PolarHBondContact O-N 3.29Å
220S84.3Confident91.2Very high34 Ų3441.3 Ų41.324%0.23822%0.217CC..THydrogen-bonded Turntrans-99.5-12.4-174.1-530000112.8A217 T222 N223 M224A217-S220 PolarHBondContact O-N 3.31Å; S220-T222 VanDerWaalsContact C-N 3.33Å; S220-T222 PolarHBondContact O-N 3.22Å; S220-N223 PolarHBondContact O-N 3.25Å; S220-M224 VanDerWaalsContact O-CB 3.32Å; S220-M224 WeakPolarHBondContact O-CB 3.38Å; S220-M224 PolarHBondContact O-N 2.71Å
221F87.6Confident91.3Very high2 Ų241.3 Ų41.31%0.00922%0.217CC..Hα-helixtrans-46.3-51.1-172.8179.9-99.7000113.4L213 L214 A217 N223 M224 I225 L252 Q253 A257L213-F221 HydrophobicContact CB-CD2 3.69Å; L213-F221 HydrophobicContact CB-CE2 3.53Å; L214-F221 HydrophobicContact CB-CD2 4.41Å; L214-F221 HydrophobicContact CB-CE2 4.11Å; L214-F221 HydrophobicContact CB-CZ 4.3Å; L214-F221 HydrophobicContact CD1-CD1 4.18Å; L214-F221 HydrophobicContact CD1-CE1 4.3Å; L214-F221 HydrophobicContact CD1-CG 4.4Å; A217-F221 WeakPolarHBondContact O-CB 3.32Å; A217-F221 PolarHBondContact O-N 3.04Å; F221-N223 PolarHBondContact O-N 3.4Å; F221-M224 PolarHBondContact O-N 3.4Å; F221-I225 HydrophobicContact CD2-CD1 4.06Å; F221-I225 HydrophobicContact CE1-CD1 4.46Å; F221-I225 HydrophobicContact CE2-CD1 3.6Å; F221-I225 HydrophobicContact CZ-CD1 3.85Å; F221-L252 HydrophobicContact CE1-CD1 3.62Å; F221-L252 HydrophobicContact CE2-CD1 4.5Å; F221-L252 HydrophobicContact CZ-CD1 3.47Å; F221-L252 VanDerWaalsContact CZ-CD1 3.47Å; F221-Q253 WeakPolarHBondContact CE1-O 3.26Å; F221-A257 HydrophobicContact CD1-CB 4.47Å; F221-A257 HydrophobicContact CE1-CB 4.26Å
222T87.4Confident91.3Very high38 Ų3841.6 Ų41.623%0.23322%0.219CC..Hα-helixtrans-59.8-28.6-177.2-51.40000114S220 E256 A257 S260S220-T222 VanDerWaalsContact C-N 3.33Å; S220-T222 PolarHBondContact O-N 3.22Å; T222-E256 HydrophobicContact CG2-CB 4.26Å; T222-A257 HydrophobicContact CG2-CB 4.01Å; T222-S260 WeakPolarHBondContact O-CB 3.24Å; T222-S260 PolarHBondContact O-OG 3.48Å
223N89.5Confident91.4Very high79 Ų7942.4 Ų42.442%0.42222%0.224SC..Hα-helixtrans-110.6-6.1-175.7-63.8-28.9000113.1H184 S220 F221 S260H184-N223 PolarHBondContact CD2-O 2.89Å; H184-N223 PolarHBondContact NE2-O 3.32Å; S220-N223 PolarHBondContact O-N 3.25Å; F221-N223 PolarHBondContact O-N 3.4Å; N223-S260 PolarHBondContact OD1-OG 2.82Å; N223-S260 VanDerWaalsContact OD1-OG 3.09Å
224M93.6Very high91.4Very high0 Ų043.9 Ų43.90%024%0.239CC..Hα-helixtrans-84.5-24.2-175.5176.9174.671.800113.2C175 M178 M179 H184 L185 L213 A217 S220 F221C175-M224 HydrophobicContact CB-SD 4.08Å; M178-M224 HydrophobicContact CE-CG 3.54Å; M178-M224 HydrophobicContact CE-SD 3.7Å; M179-M224 HydrophobicContact CE-CB 4.22Å; M179-M224 HydrophobicContact CG-CB 4.33Å; M179-M224 HydrophobicContact CG-CG 4.09Å; M179-M224 HydrophobicContact CG-SD 4.1Å; M179-M224 HydrophobicContact SD-CB 3.49Å; M179-M224 WeakPolarHBondContact SD-CB 3.16Å; M179-M224 HydrophobicContact SD-CG 3.5Å; M179-M224 WeakPolarHBondContact SD-CG 3.4Å; M179-M224 HydrophobicContact SD-SD 4.29Å; H184-M224 WeakPolarHBondContact CB-O 3.23Å; L185-M224 HydrophobicContact CD1-CE 4.14Å; L185-M224 HydrophobicContact CD1-CG 4.45Å; L185-M224 HydrophobicContact CD1-SD 4.3Å; L185-M224 HydrophobicContact CG-CG 4.46Å; L185-M224 PolarHBondContact N-O 3.25Å; L213-M224 HydrophobicContact CB-CE 4.19Å; L213-M224 HydrophobicContact CD1-CE 3.92Å; L213-M224 HydrophobicContact CD2-CE 3.34Å; L213-M224 HydrophobicContact CG-CE 4.01Å; A217-M224 HydrophobicContact CB-CE 3.77Å; A217-M224 HydrophobicContact CB-SD 4.2Å; S220-M224 VanDerWaalsContact O-CB 3.32Å; S220-M224 WeakPolarHBondContact O-CB 3.38Å; S220-M224 PolarHBondContact O-N 2.71Å; F221-M224 PolarHBondContact O-N 3.4Å
225I95.9Very high91.6Very high2 Ų247.7 Ų47.71%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-98133.5-170.8-61.2169.9000109.9L185 F187 F210 L213 F221 V227 L252 C261 A265L185-I225 CarbonylContact O-C 3.56Å; L185-I225 WeakPolarHBondContact O-CA 3.39Å; F187-I225 HydrophobicContact CD2-CG2 3.82Å; F187-I225 HydrophobicContact CE2-CG1 4.4Å; F187-I225 HydrophobicContact CE2-CG2 4.09Å; F210-I225 HydrophobicContact CD1-CD1 4.06Å; F210-I225 HydrophobicContact CE1-CD1 4.11Å; F210-I225 HydrophobicContact CE1-CG2 4.36Å; L213-I225 HydrophobicContact CD1-CD1 4.01Å; L213-I225 HydrophobicContact CD1-CG1 4.22Å; F221-I225 HydrophobicContact CD2-CD1 4.06Å; F221-I225 HydrophobicContact CE1-CD1 4.46Å; F221-I225 HydrophobicContact CE2-CD1 3.6Å; F221-I225 HydrophobicContact CZ-CD1 3.85Å; I225-V227 HydrophobicContact CG2-CG2 4.2Å; I225-L252 HydrophobicContact CD1-CD1 3.77Å; I225-C261 HydrophobicContact CB-CB 4.5Å; I225-C261 HydrophobicContact CG2-CB 4.23Å; I225-C261 WeakPolarHBondContact O-CA 3.46Å; I225-C261 WeakPolarHBondContact O-CB 3.48Å; I225-A265 VanDerWaalsContact O-CB 3.25Å; I225-A265 WeakPolarHBondContact O-CB 3.34Å
226V97Very high91.8Very high0 Ų044.6 Ų44.60%023%0.227CC..EExtended strand (participates in β ladder)trans-114.9139.7167174.90000108.3L8 L157 H184 L185 E186 F187 A265 P266 V269L8-V226 HydrophobicContact CD1-CG1 4.2Å; L157-V226 HydrophobicContact CD2-CB 4.43Å; L157-V226 HydrophobicContact CD2-CG2 4.24Å; H184-V226 HydrophobicContact CB-CG2 4.04Å; L185-V226 PolarHBondContact O-N 2.94Å; E186-V226 VanDerWaalsContact CA-O 3.31Å; E186-V226 WeakPolarHBondContact CA-O 3.4Å; E186-V226 HydrophobicContact CB-CB 4.45Å; E186-V226 HydrophobicContact CG-CG1 4.4Å; F187-V226 PolarHBondContact N-O 3.09Å; V226-A265 HydrophobicContact CG2-CB 3.74Å; V226-P266 HydrophobicContact CG1-CB 4.15Å; V226-V269 HydrophobicContact CG2-CG2 4.02Å
227V97Very high92Very high6 Ų642.2 Ų42.24%0.03622%0.215CC..EExtended strand (participates in β ladder)trans-119.7124.5171.8176.60000108.5F187 L189 I225 V243 L247 C261 L262F187-V227 WeakPolarHBondContact O-CA 3.3Å; L189-V227 HydrophobicContact CB-CG1 4.32Å; I225-V227 HydrophobicContact CG2-CG2 4.2Å; V227-V243 HydrophobicContact CG1-CG1 4.14Å; V227-L247 HydrophobicContact CB-CD1 4.29Å; V227-L247 HydrophobicContact CG1-CD1 4.34Å; V227-L247 HydrophobicContact CG2-CD1 3.81Å; V227-L247 HydrophobicContact CG2-CD2 4.12Å; V227-C261 HydrophobicContact CG2-CB 4.23Å; V227-C261 PolarHBondContact N-O 2.97Å; V227-L262 HydrophobicContact CB-CD2 4.08Å; V227-L262 HydrophobicContact CG1-CD2 4.46Å
228S97Very high92.4Very high3 Ų344.5 Ų44.52%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-119.3159.2176.1-590000109.5D7 L8 E186 F187 Q188 L189D7-S228 WeakPolarHBondContact OD1-CB 3.4Å; L8-S228 PolarHBondContact N-OG 3.34Å; E186-S228 WeakPolarHBondContact OE1-CB 3.42Å; E186-S228 PolarHBondContact OE1-OG 3.16Å; F187-S228 PolarHBondContact O-N 3.47Å; Q188-S228 CarbonylContact C-O 3.56Å; Q188-S228 WeakPolarHBondContact CA-O 3.03Å; L189-S228 PolarHBondContact N-O 2.84Å
229S96Very high93Very high8 Ų843.5 Ų43.56%0.05622%0.218CC..  trans-69.6-42.9-177.566.50000111.7D7 D9 L189 A190 A231D7-S229 PolarHBondContact OD1-N 3.01Å; D7-S229 PolarHBondContact OD1-OG 3.43Å; D7-S229 WeakPolarHBondContact OD2-CB 3.23Å; D7-S229 PolarHBondContact OD2-OG 3.32Å; D9-S229 PolarHBondContact O-OG 3.41Å; L189-S229 PolarHBondContact N-O 3.33Å; A190-S229 WeakPolarHBondContact CB-O 3.24Å; A190-S229 PolarHBondContact N-O 2.96Å; S229-A231 PolarHBondContact O-N 3.18Å; S229-A231 WeakPolarHBondContact OG-CB 3.19Å; S229-A231 PolarHBondContact OG-N 2.88Å
230G95.3Very high93.7Very high5 Ų534 Ų345%0.05218%0.178CC..  trans5827.6-168.100000111.5D9 A190 S232D9-G230 VanDerWaalsContact O-CA 3.26Å; D9-G230 WeakPolarHBondContact O-CA 3.48Å; D9-G230 PolarHBondContact O-N 3.45Å; A190-G230 WeakPolarHBondContact CB-O 3.11Å; G230-S232 PolarHBondContact O-N 3.21Å
231A95.1Very high94.1Very high0 Ų037.8 Ų37.80%020%0.199CC..  trans-75125.9-16800000111.8L19 S229 E236 V237L19-A231 HydrophobicContact CD1-CB 4.5Å; S229-A231 PolarHBondContact O-N 3.18Å; S229-A231 WeakPolarHBondContact OG-CB 3.19Å; S229-A231 PolarHBondContact OG-N 2.88Å; A231-E236 WeakPolarHBondContact CA-OE2 3.5Å; A231-E236 HydrophobicContact CB-CB 3.82Å; A231-V237 HydrophobicContact CB-CG2 3.81Å
232S93.7Very high94.5Very high69 Ų6939.6 Ų39.648%0.48321%0.214SC..SBendtrans-89.4-16.4168.2-51.90000112.1G230 E236G230-S232 PolarHBondContact O-N 3.21Å; S232-E236 PolarHBondContact N-OE2 2.94Å
233S94.2Very high94.9Very high53 Ų5337.8 Ų37.837%0.37120%0.203SC..SBendtrans-145.4157.6-179.569.80000112.4W235 E236S233-W235 PolarHBondContact O-N 2.88Å; S233-W235 VanDerWaalsContact O-N 3.13Å; S233-E236 PolarHBondContact N-OE2 3Å; S233-E236 PolarHBondContact O-N 3.35Å
234G93Very high95.2Very high31 Ų3135.2 Ų35.232%0.3219%0.192SC..G310 helixtrans-61.6-22.3-179.600000114.4E236 V237G234-E236 VanDerWaalsContact C-N 3.27Å; G234-E236 PolarHBondContact O-N 3.41Å; G234-V237 PolarHBondContact O-N 3.18Å
235W93.3Very high95.2Very high150 Ų15038.1 Ų38.157%0.56822%0.215SC*.G310 helixtrans-71.3-20.7174.7178.694.7000112.5L193 S233 V237 R238L193-W235 HydrophobicContact CB-CH2 3.76Å; L193-W235 HydrophobicContact CB-CZ3 3.61Å; L193-W235 WeakPolarHBondContact O-CH2 3.17Å; S233-W235 PolarHBondContact O-N 2.88Å; S233-W235 VanDerWaalsContact O-N 3.13Å; W235-V237 VanDerWaalsContact C-N 3.3Å; W235-R238 PolarHBondContact O-NH1 3.2Å; W235-R238 PolarHBondContact O-NH2 3.16Å
236E95.5Very high95.2Very high13 Ų1340.3 Ų40.36%0.06123%0.226CC..G310 helixtrans-84.9-9.5179.1-63.9174.1153.900112.3A190 L193 R194 A231 S232 S233 G234A190-E236 HydrophobicContact CB-CB 3.99Å; A190-E236 HydrophobicContact CB-CG 4.2Å; L193-E236 HydrophobicContact CD1-CB 4.43Å; L193-E236 WeakPolarHBondContact CD1-O 3.03Å; R194-E236 IonicContact CZ-OE1 2.76Å; R194-E236 VanDerWaalsContact CZ-OE1 3.22Å; R194-E236 IonicContact NE-OE1 2.84Å; R194-E236 PolarHBondContact NE-OE1 3.02Å; R194-E236 IonicContact NH2-OE1 3.23Å; R194-E236 PolarHBondContact NH2-OE1 3.32Å; R194-E236 IonicContact NH2-OE2 2.7Å; R194-E236 PolarHBondContact NH2-OE2 3.29Å; A231-E236 WeakPolarHBondContact CA-OE2 3.5Å; A231-E236 HydrophobicContact CB-CB 3.82Å; S232-E236 PolarHBondContact N-OE2 2.94Å; S233-E236 PolarHBondContact N-OE2 3Å; S233-E236 PolarHBondContact O-N 3.35Å; G234-E236 VanDerWaalsContact C-N 3.27Å; G234-E236 PolarHBondContact O-N 3.41Å
237V96.4Very high95.2Very high0 Ų040.4 Ų40.40%023%0.226CC..  trans-83.9130.9178-174.80000110.5L19 R22 L23 C26 Y28 A231 G234 W235L19-V237 HydrophobicContact CD1-CG2 3.77Å; R22-V237 HydrophobicContact CG-CB 4.02Å; R22-V237 HydrophobicContact CG-CG1 4.31Å; R22-V237 HydrophobicContact CG-CG2 4.4Å; L23-V237 HydrophobicContact CD2-CB 4.49Å; L23-V237 HydrophobicContact CD2-CG1 3.62Å; L23-V237 HydrophobicContact CD2-CG2 3.99Å; L23-V237 HydrophobicContact CG-CG1 4.18Å; L23-V237 HydrophobicContact CG-CG2 4.2Å; C26-V237 HydrophobicContact CB-CG1 4.14Å; Y28-V237 HydrophobicContact CD2-CG1 4.46Å; Y28-V237 HydrophobicContact CE2-CG1 4.26Å; A231-V237 HydrophobicContact CB-CG2 3.81Å; G234-V237 PolarHBondContact O-N 3.18Å; W235-V237 VanDerWaalsContact C-N 3.3Å
238R95.5Very high95.1Very high52 Ų5241.1 Ų41.120%0.19624%0.235CC..  trans-129.3144.5-178.3-68.5-77.3176.2-76-7.9110.2Y28 L189 L193 W235 A242 V243 M246Y28-R238 WeakPolarHBondContact CE2-O 3.39Å; Y28-R238 PolarHBondContact OH-O 3.02Å; L189-R238 HydrophobicContact CD2-CB 4.29Å; L189-R238 HydrophobicContact CD2-CG 4.41Å; L193-R238 HydrophobicContact CD1-CG 3.97Å; L193-R238 HydrophobicContact CD2-CG 4.49Å; W235-R238 PolarHBondContact O-NH1 3.2Å; W235-R238 PolarHBondContact O-NH2 3.16Å; R238-A242 HydrophobicContact CB-CB 4.43Å; R238-V243 HydrophobicContact CB-CG2 3.7Å; R238-M246 HydrophobicContact CB-CE 4.13Å; R238-M246 HydrophobicContact CG-CE 3.89Å
239R95.3Very high94.9Very high163 Ų16346.5 Ų46.562%0.61527%0.272SS*.  trans-62.2147174.5-64.5-17975154.31.2110.3C26 V241 A242 V243C26-R239 HydrophobicContact CB-CG 4.14Å; R239-V241 VanDerWaalsContact C-N 3.26Å; R239-V241 PolarHBondContact O-N 2.99Å; R239-V241 VanDerWaalsContact O-N 3.12Å; R239-A242 WeakPolarHBondContact O-CA 3.47Å; R239-A242 WeakPolarHBondContact O-CB 3.46Å; R239-A242 PolarHBondContact O-N 2.91Å; R239-V243 PolarHBondContact O-N 2.91Å
240P94.7Very high94.8Very high7 Ų747.3 Ų47.35%0.04528%0.275CS..Hα-helixtrans-50.1-41.4-178.3-30.634.4000114.5Y5 C26 Y28 A242 V243 S244 L262Y5-P240 HydrophobicContact CD1-CB 3.47Å; Y5-P240 VanDerWaalsContact CD1-CB 3.47Å; Y5-P240 HydrophobicContact CD1-CG 3.5Å; Y5-P240 VanDerWaalsContact CD1-CG 3.5Å; Y5-P240 HydrophobicContact CD2-CB 4.19Å; Y5-P240 HydrophobicContact CD2-CG 3.55Å; Y5-P240 HydrophobicContact CE1-CB 3.36Å; Y5-P240 HydrophobicContact CE1-CG 3.82Å; Y5-P240 HydrophobicContact CE2-CB 4.08Å; Y5-P240 HydrophobicContact CE2-CG 3.84Å; Y5-P240 HydrophobicContact CG-CB 3.89Å; Y5-P240 HydrophobicContact CG-CG 3.34Å; C26-P240 WeakPolarHBondContact O-CD 3.28Å; Y28-P240 HydrophobicContact CE1-CG 4.01Å; P240-A242 VanDerWaalsContact C-N 3.33Å; P240-A242 PolarHBondContact O-N 3.32Å; P240-V243 WeakPolarHBondContact O-CB 3.08Å; P240-V243 PolarHBondContact O-N 3.41Å; P240-V243 VanDerWaalsContact O-N 3.16Å; P240-S244 PolarHBondContact O-N 2.88Å; P240-S244 PolarHBondContact O-OG 3.45Å; P240-S244 VanDerWaalsContact O-OG 3.12Å; P240-L262 HydrophobicContact CB-CD1 4.01Å
241V93.8Very high94.7Very high113 Ų11348.5 Ų48.569%0.68529%0.287SS*.Hα-helixtrans-60.5-41.3176.8178.30000112.2R239 S244 A245R239-V241 VanDerWaalsContact C-N 3.26Å; R239-V241 PolarHBondContact O-N 2.99Å; R239-V241 VanDerWaalsContact O-N 3.12Å; V241-S244 PolarHBondContact O-N 3.3Å; V241-A245 WeakPolarHBondContact O-CB 3.17Å; V241-A245 PolarHBondContact O-N 3.43Å
242A95.3Very high94.6Very high39 Ų3948.6 Ų48.632%0.32229%0.288SS..Hα-helixtrans-69-38.6176.700000111.1R238 R239 P240 A245 M246R238-A242 HydrophobicContact CB-CB 4.43Å; R239-A242 WeakPolarHBondContact O-CA 3.47Å; R239-A242 WeakPolarHBondContact O-CB 3.46Å; R239-A242 PolarHBondContact O-N 2.91Å; P240-A242 VanDerWaalsContact C-N 3.33Å; P240-A242 PolarHBondContact O-N 3.32Å; A242-A245 PolarHBondContact O-N 3.28Å; A242-M246 WeakPolarHBondContact O-CE 3.24Å; A242-M246 VanDerWaalsContact O-CG 3.31Å; A242-M246 WeakPolarHBondContact O-CG 3.46Å; A242-M246 PolarHBondContact O-N 3.08Å
243V96.4Very high94.3Very high1 Ų149.8 Ų49.81%0.00629%0.286CS..Hα-helixtrans-60.7-50.5173.7-178.20000110.4L189 V227 R238 R239 P240 A245 M246 L247 L262L189-V243 HydrophobicContact CD2-CB 4.39Å; L189-V243 HydrophobicContact CD2-CG1 4.07Å; L189-V243 HydrophobicContact CD2-CG2 3.61Å; V227-V243 HydrophobicContact CG1-CG1 4.14Å; R238-V243 HydrophobicContact CB-CG2 3.7Å; R239-V243 PolarHBondContact O-N 2.91Å; P240-V243 WeakPolarHBondContact O-CB 3.08Å; P240-V243 PolarHBondContact O-N 3.41Å; P240-V243 VanDerWaalsContact O-N 3.16Å; V243-A245 VanDerWaalsContact C-N 3.32Å; V243-A245 PolarHBondContact O-N 2.58Å; V243-M246 HydrophobicContact CG2-CE 4.36Å; V243-M246 PolarHBondContact O-N 3.14Å; V243-L247 HydrophobicContact CG1-CD1 3.75Å; V243-L247 HydrophobicContact CG1-CG 4.13Å; V243-L247 VanDerWaalsContact O-CG 3.24Å; V243-L247 WeakPolarHBondContact O-CG 3.29Å; V243-L247 PolarHBondContact O-N 3.44Å; V243-L262 HydrophobicContact CB-CD1 4.01Å; V243-L262 HydrophobicContact CG1-CD1 4Å; V243-L262 HydrophobicContact CG1-CD2 4.04Å
244S94.7Very high94Very high25 Ų2549.9 Ų49.918%0.17529%0.285CS..Hα-helixtrans-58-42.2178.2-60.50000112.6P240 V241 L247 G248 T258P240-S244 PolarHBondContact O-N 2.88Å; P240-S244 PolarHBondContact O-OG 3.45Å; P240-S244 VanDerWaalsContact O-OG 3.12Å; V241-S244 PolarHBondContact O-N 3.3Å; S244-L247 PolarHBondContact O-N 3.24Å; S244-G248 PolarHBondContact O-N 3.49Å; S244-T258 PolarHBondContact OG-O 2.93Å
245A95Very high93.7Very high60 Ų6055.6 Ų55.650%0.49630%0.303SS..Hα-helixtrans-62.7-47.2175.900000112.2V241 A242 V243 L247 G248 C249V241-A245 WeakPolarHBondContact O-CB 3.17Å; V241-A245 PolarHBondContact O-N 3.43Å; A242-A245 PolarHBondContact O-N 3.28Å; V243-A245 VanDerWaalsContact C-N 3.32Å; V243-A245 PolarHBondContact O-N 2.58Å; A245-L247 PolarHBondContact O-N 3Å; A245-G248 PolarHBondContact O-N 3.48Å; A245-C249 PolarHBondContact O-N 3.03Å; A245-C249 PolarHBondContact O-SG 2.94Å; A245-C249 VanDerWaalsContact O-SG 3.34Å
246M95.2Very high93.6Very high49 Ų4954.4 Ų54.424%0.24130%0.304CS..Hα-helixtrans-61.9-43.9177.7-71.9-176.3-61.200112.2L189 L193 R238 A242 V243 G248 C249 L250L189-M246 HydrophobicContact CD1-CE 4.01Å; L189-M246 HydrophobicContact CD2-CE 3.84Å; L189-M246 HydrophobicContact CG-CE 4.4Å; L193-M246 HydrophobicContact CD2-CE 4.14Å; L193-M246 HydrophobicContact CD2-SD 3.64Å; R238-M246 HydrophobicContact CB-CE 4.13Å; R238-M246 HydrophobicContact CG-CE 3.89Å; A242-M246 WeakPolarHBondContact O-CE 3.24Å; A242-M246 VanDerWaalsContact O-CG 3.31Å; A242-M246 WeakPolarHBondContact O-CG 3.46Å; A242-M246 PolarHBondContact O-N 3.08Å; V243-M246 HydrophobicContact CG2-CE 4.36Å; V243-M246 PolarHBondContact O-N 3.14Å; M246-G248 VanDerWaalsContact C-N 3.31Å; M246-G248 PolarHBondContact O-N 2.9Å; M246-C249 WeakPolarHBondContact O-CB 3.46Å; M246-C249 PolarHBondContact O-N 2.99Å; M246-L250 WeakPolarHBondContact O-CG 3.36Å; M246-L250 PolarHBondContact O-N 3.01Å; M246-L250 VanDerWaalsContact O-N 3.07Å
247L96.1Very high93.4Very high1 Ų153.9 Ų53.91%0.00530%0.302CS..Hα-helixtrans-63.1-40177.3-65.6174.3000111.3L206 F210 V227 V243 S244 A245 C249 L250 G251 L252 T258L206-L247 HydrophobicContact CD2-CD2 4.42Å; F210-L247 HydrophobicContact CE2-CD2 4Å; F210-L247 HydrophobicContact CZ-CD2 3.84Å; V227-L247 HydrophobicContact CB-CD1 4.29Å; V227-L247 HydrophobicContact CG1-CD1 4.34Å; V227-L247 HydrophobicContact CG2-CD1 3.81Å; V227-L247 HydrophobicContact CG2-CD2 4.12Å; V243-L247 HydrophobicContact CG1-CD1 3.75Å; V243-L247 HydrophobicContact CG1-CG 4.13Å; V243-L247 VanDerWaalsContact O-CG 3.24Å; V243-L247 WeakPolarHBondContact O-CG 3.29Å; V243-L247 PolarHBondContact O-N 3.44Å; S244-L247 PolarHBondContact O-N 3.24Å; A245-L247 PolarHBondContact O-N 3Å; L247-C249 VanDerWaalsContact C-N 3.34Å; L247-C249 PolarHBondContact O-N 3.17Å; L247-L250 PolarHBondContact O-N 3.42Å; L247-L250 VanDerWaalsContact O-N 3.11Å; L247-G251 PolarHBondContact O-N 3.15Å; L247-L252 HydrophobicContact CB-CB 3.94Å; L247-L252 HydrophobicContact CB-CD2 3.76Å; L247-L252 HydrophobicContact CB-CG 4.46Å; L247-L252 HydrophobicContact CD1-CD2 3.77Å; L247-L252 HydrophobicContact CG-CD2 4.23Å; L247-L252 VanDerWaalsContact O-CB 3.29Å; L247-L252 WeakPolarHBondContact O-CB 3.47Å; L247-L252 PolarHBondContact O-N 3.47Å; L247-T258 HydrophobicContact CB-CG2 4.32Å
248G95.1Very high93.2Very high21 Ų2154.2 Ų54.222%0.21630%0.304CS..Hα-helixtrans-58.3-43.917300000112.6S244 A245 M246 L250 G251S244-G248 PolarHBondContact O-N 3.49Å; A245-G248 PolarHBondContact O-N 3.48Å; M246-G248 VanDerWaalsContact C-N 3.31Å; M246-G248 PolarHBondContact O-N 2.9Å; G248-L250 VanDerWaalsContact C-N 3.26Å; G248-L250 PolarHBondContact O-N 3.24Å; G248-G251 PolarHBondContact O-N 3.11Å; G248-G251 VanDerWaalsContact O-N 3.15Å
249C94Very high93Very high117 Ų11755.6 Ų55.679%0.79131%0.313SS*.Hα-helixtrans-64.2-28.5174.8-65.50000113.4A245 M246 L247 G251A245-C249 PolarHBondContact O-N 3.03Å; A245-C249 PolarHBondContact O-SG 2.94Å; A245-C249 VanDerWaalsContact O-SG 3.34Å; M246-C249 WeakPolarHBondContact O-CB 3.46Å; M246-C249 PolarHBondContact O-N 2.99Å; L247-C249 VanDerWaalsContact C-N 3.34Å; L247-C249 PolarHBondContact O-N 3.17Å; C249-G251 VanDerWaalsContact C-N 3.28Å
250L93.5Very high92.9Very high25 Ų2548 Ų4813%0.13129%0.285CS..THydrogen-bonded Turntrans-84.3-1.8177.1-65.6172.7000113.3V192 R203 L206 S207 F210 M246 L247 G248V192-L250 HydrophobicContact CG1-CD1 3.76Å; R203-L250 HydrophobicContact CB-CD2 3.92Å; R203-L250 HydrophobicContact CG-CD2 4.38Å; L206-L250 HydrophobicContact CD2-CD1 3.78Å; L206-L250 HydrophobicContact CG-CD1 4.4Å; S207-L250 WeakPolarHBondContact CA-O 3.13Å; S207-L250 VanDerWaalsContact CB-O 3.29Å; S207-L250 WeakPolarHBondContact CB-O 3.39Å; S207-L250 PolarHBondContact OG-O 2.98Å; F210-L250 HydrophobicContact CD2-CB 4.22Å; F210-L250 HydrophobicContact CE2-CB 4.13Å; M246-L250 WeakPolarHBondContact O-CG 3.36Å; M246-L250 PolarHBondContact O-N 3.01Å; M246-L250 VanDerWaalsContact O-N 3.07Å; L247-L250 PolarHBondContact O-N 3.42Å; L247-L250 VanDerWaalsContact O-N 3.11Å; G248-L250 VanDerWaalsContact C-N 3.26Å; G248-L250 PolarHBondContact O-N 3.24Å
251G92.5Very high93Very high30 Ų3047.7 Ų47.731%0.30928%0.283SS..THydrogen-bonded Turntrans100.610.9176.400000114.9L247 G248 C249 Q253L247-G251 PolarHBondContact O-N 3.15Å; G248-G251 PolarHBondContact O-N 3.11Å; G248-G251 VanDerWaalsContact O-N 3.15Å; C249-G251 VanDerWaalsContact C-N 3.28Å; G251-Q253 PolarHBondContact O-N 2.62Å
252L93Very high93Very high1 Ų142.5 Ų42.51%0.00525%0.251CS..  trans-73.298.1172.4-171.762.3000109.8F210 F221 I225 L247 A257 T258F210-L252 HydrophobicContact CD1-CD1 3.97Å; F210-L252 HydrophobicContact CD2-CB 3.85Å; F210-L252 HydrophobicContact CE1-CD1 3.99Å; F210-L252 HydrophobicContact CE2-CB 3.78Å; F210-L252 HydrophobicContact CG-CB 4.33Å; F210-L252 HydrophobicContact CG-CD1 4.29Å; F210-L252 HydrophobicContact CZ-CB 4.2Å; F210-L252 HydrophobicContact CZ-CD1 4.31Å; F210-L252 HydrophobicContact CZ-CD2 4.27Å; F221-L252 HydrophobicContact CE1-CD1 3.62Å; F221-L252 HydrophobicContact CE2-CD1 4.5Å; F221-L252 HydrophobicContact CZ-CD1 3.47Å; F221-L252 VanDerWaalsContact CZ-CD1 3.47Å; I225-L252 HydrophobicContact CD1-CD1 3.77Å; L247-L252 HydrophobicContact CB-CB 3.94Å; L247-L252 HydrophobicContact CB-CD2 3.76Å; L247-L252 HydrophobicContact CB-CG 4.46Å; L247-L252 HydrophobicContact CD1-CD2 3.77Å; L247-L252 HydrophobicContact CG-CD2 4.23Å; L247-L252 VanDerWaalsContact O-CB 3.29Å; L247-L252 WeakPolarHBondContact O-CB 3.47Å; L247-L252 PolarHBondContact O-N 3.47Å; L252-A257 HydrophobicContact CD1-CB 4.18Å; L252-A257 HydrophobicContact CG-CB 4.19Å; L252-T258 HydrophobicContact CB-CG2 4.2Å; L252-T258 HydrophobicContact CD2-CG2 4.02Å; L252-T258 HydrophobicContact CG-CG2 4.04Å; L252-T258 WeakPolarHBondContact O-CG2 3.17Å
253Q87.5Confident92.9Very high95 Ų9541.2 Ų41.244%0.44424%0.239SC..  trans-129.5144.6179.4-66.7-65.3-24.100110.4F221 G251F221-Q253 WeakPolarHBondContact CE1-O 3.26Å; G251-Q253 PolarHBondContact O-N 2.62Å
254P88.4Confident92.7Very high55 Ų5547.8 Ų47.836%0.35727%0.267SS..SBendcis-83.8175.49.138.2-40.2000112.8E256 A257P254-E256 WeakPolarHBondContact CB-OE2 3.45Å; P254-E256 VanDerWaalsContact CG-OE2 3.28Å; P254-E256 WeakPolarHBondContact CG-OE2 3.5Å; P254-E256 PolarHBondContact O-N 3.01Å; P254-E256 VanDerWaalsContact O-N 3.1Å; P254-A257 VanDerWaalsContact O-CB 3.23Å; P254-A257 WeakPolarHBondContact O-CB 3.07Å; P254-A257 PolarHBondContact O-N 3.07Å
255Q86.7Confident92.7Very high150 Ų15046.6 Ų46.670%0.70126%0.26SS*.Hα-helixtrans-55-32.4-177-173.3177.70.200112.5A257 T258 H259Q255-A257 PolarHBondContact O-N 3.37Å; Q255-T258 WeakPolarHBondContact O-CB 3.39Å; Q255-T258 PolarHBondContact O-N 3.47Å; Q255-T258 VanDerWaalsContact O-N 3.1Å; Q255-T258 PolarHBondContact O-OG1 3.12Å; Q255-H259 PolarHBondContact O-N 3Å
256E89.9Confident92.7Very high125 Ų12543.8 Ų43.858%0.58424%0.236SC*.Hα-helixtrans-60.1-31.3176-60.379-174.100112.3T222 P254 H259 S260T222-E256 HydrophobicContact CG2-CB 4.26Å; P254-E256 WeakPolarHBondContact CB-OE2 3.45Å; P254-E256 VanDerWaalsContact CG-OE2 3.28Å; P254-E256 WeakPolarHBondContact CG-OE2 3.5Å; P254-E256 PolarHBondContact O-N 3.01Å; P254-E256 VanDerWaalsContact O-N 3.1Å; E256-H259 PolarHBondContact O-N 3.22Å; E256-S260 WeakPolarHBondContact O-CB 3.5Å; E256-S260 PolarHBondContact O-N 2.79Å
257A91.4Very high92.7Very high2 Ų244 Ų442%0.01724%0.236CC..Hα-helixtrans-66.3-39.7176.600000111.2F221 T222 L252 P254 Q255 H259 S260 C261F221-A257 HydrophobicContact CD1-CB 4.47Å; F221-A257 HydrophobicContact CE1-CB 4.26Å; T222-A257 HydrophobicContact CG2-CB 4.01Å; L252-A257 HydrophobicContact CD1-CB 4.18Å; L252-A257 HydrophobicContact CG-CB 4.19Å; P254-A257 VanDerWaalsContact O-CB 3.23Å; P254-A257 WeakPolarHBondContact O-CB 3.07Å; P254-A257 PolarHBondContact O-N 3.07Å; Q255-A257 PolarHBondContact O-N 3.37Å; A257-H259 VanDerWaalsContact C-N 3.27Å; A257-H259 PolarHBondContact O-N 3.22Å; A257-S260 PolarHBondContact O-N 2.9Å; A257-C261 WeakPolarHBondContact O-CB 3.35Å; A257-C261 PolarHBondContact O-N 3.08Å; A257-C261 PolarHBondContact O-SG 3.43Å; A257-C261 VanDerWaalsContact O-SG 3.38Å
258T92.5Very high92.5Very high7 Ų745.7 Ų45.74%0.04325%0.25CS..Hα-helixtrans-64.6-32177.8740000112.5S244 L247 L252 Q255 C261S244-T258 PolarHBondContact OG-O 2.93Å; L247-T258 HydrophobicContact CB-CG2 4.32Å; L252-T258 HydrophobicContact CB-CG2 4.2Å; L252-T258 HydrophobicContact CD2-CG2 4.02Å; L252-T258 HydrophobicContact CG-CG2 4.04Å; L252-T258 WeakPolarHBondContact O-CG2 3.17Å; Q255-T258 WeakPolarHBondContact O-CB 3.39Å; Q255-T258 PolarHBondContact O-N 3.47Å; Q255-T258 VanDerWaalsContact O-N 3.1Å; Q255-T258 PolarHBondContact O-OG1 3.12Å; T258-C261 PolarHBondContact O-SG 3.05Å
259H92.1Very high92.5Very high82 Ų8244.7 Ų44.738%0.3824%0.24SC..Hα-helixtrans-80.4-41.7173.9180-84.3000111.6Q255 E256 A257 C261 L262 T263Q255-H259 PolarHBondContact O-N 3Å; E256-H259 PolarHBondContact O-N 3.22Å; A257-H259 VanDerWaalsContact C-N 3.27Å; A257-H259 PolarHBondContact O-N 3.22Å; H259-C261 VanDerWaalsContact C-N 3.35Å; H259-C261 PolarHBondContact O-N 3.39Å; H259-L262 PolarHBondContact O-N 2.8Å; H259-T263 PolarHBondContact CE1-OG1 3Å; H259-T263 VanDerWaalsContact CE1-OG1 3.26Å; H259-T263 PolarHBondContact ND1-OG1 3.39Å; H259-T263 PolarHBondContact O-N 2.63Å; H259-T263 PolarHBondContact O-OG1 3.09Å
260S93.6Very high92.5Very high3 Ų339.1 Ų39.12%0.02120%0.202CC..Hα-helixtrans-61.1-40.8-178-170.30000112.4T222 N223 E256 A257 L262 T263 K264 A265T222-S260 WeakPolarHBondContact O-CB 3.24Å; T222-S260 PolarHBondContact O-OG 3.48Å; N223-S260 PolarHBondContact OD1-OG 2.82Å; N223-S260 VanDerWaalsContact OD1-OG 3.09Å; E256-S260 WeakPolarHBondContact O-CB 3.5Å; E256-S260 PolarHBondContact O-N 2.79Å; A257-S260 PolarHBondContact O-N 2.9Å; S260-L262 PolarHBondContact O-N 2.85Å; S260-L262 VanDerWaalsContact O-N 3.14Å; S260-T263 PolarHBondContact O-N 3.04Å; S260-T263 VanDerWaalsContact O-N 3.12Å; S260-K264 PolarHBondContact O-N 2.78Å; S260-A265 PolarHBondContact O-N 3.41Å
261C95.3Very high92.4Very high1 Ų139.1 Ų39.11%0.00720%0.203CC..THydrogen-bonded Turntrans-65.7-15.1-178.968.50000115.1I225 V227 A257 T258 H259 P266I225-C261 HydrophobicContact CB-CB 4.5Å; I225-C261 HydrophobicContact CG2-CB 4.23Å; I225-C261 WeakPolarHBondContact O-CA 3.46Å; I225-C261 WeakPolarHBondContact O-CB 3.48Å; V227-C261 HydrophobicContact CG2-CB 4.23Å; V227-C261 PolarHBondContact N-O 2.97Å; A257-C261 WeakPolarHBondContact O-CB 3.35Å; A257-C261 PolarHBondContact O-N 3.08Å; A257-C261 PolarHBondContact O-SG 3.43Å; A257-C261 VanDerWaalsContact O-SG 3.38Å; T258-C261 PolarHBondContact O-SG 3.05Å; H259-C261 VanDerWaalsContact C-N 3.35Å; H259-C261 PolarHBondContact O-N 3.39Å; C261-P266 WeakPolarHBondContact O-CD 3.38Å
262L94.7Very high92.3Very high3 Ų340.6 Ų40.62%0.01620%0.202CC..THydrogen-bonded Turntrans-106.8-7.8177.3-58.5176.4000113.2Y5 F6 V227 P240 V243 H259 S260 P266Y5-L262 HydrophobicContact CD1-CB 4.14Å; F6-L262 PolarHBondContact N-O 3.4Å; V227-L262 HydrophobicContact CB-CD2 4.08Å; V227-L262 HydrophobicContact CG1-CD2 4.46Å; P240-L262 HydrophobicContact CB-CD1 4.01Å; V243-L262 HydrophobicContact CB-CD1 4.01Å; V243-L262 HydrophobicContact CG1-CD1 4Å; V243-L262 HydrophobicContact CG1-CD2 4.04Å; H259-L262 PolarHBondContact O-N 2.8Å; S260-L262 PolarHBondContact O-N 2.85Å; S260-L262 VanDerWaalsContact O-N 3.14Å; L262-P266 VanDerWaalsContact C-CG 3.42Å
263T93.8Very high92.2Very high12 Ų1240.6 Ų40.67%0.07420%0.202CC..THydrogen-bonded Turntrans-131.6-74.2-171590000112.1K4 Y5 H259 S260 F267K4-T263 WeakPolarHBondContact O-CG2 3.38Å; Y5-T263 HydrophobicContact CD1-CG2 3.71Å; Y5-T263 HydrophobicContact CE1-CG2 3.83Å; H259-T263 PolarHBondContact CE1-OG1 3Å; H259-T263 VanDerWaalsContact CE1-OG1 3.26Å; H259-T263 PolarHBondContact ND1-OG1 3.39Å; H259-T263 PolarHBondContact O-N 2.63Å; H259-T263 PolarHBondContact O-OG1 3.09Å; S260-T263 PolarHBondContact O-N 3.04Å; S260-T263 VanDerWaalsContact O-N 3.12Å; T263-F267 WeakPolarHBondContact O-CB 3.49Å; T263-F267 PolarHBondContact O-N 3.33Å; T263-F267 VanDerWaalsContact O-N 3.16Å
264K92.5Very high92.2Very high139 Ų13936.2 Ų36.260%0.60418%0.181SC*.Hα-helixtrans-71.5-48.1-173.2-64.3-179.7-178.6176.80112.7S260 F267 A268S260-K264 PolarHBondContact O-N 2.78Å; K264-F267 WeakPolarHBondContact O-CB 3.37Å; K264-F267 PolarHBondContact O-N 3.43Å; K264-A268 PolarHBondContact O-N 3.26Å
265A94.2Very high92.2Very high1 Ų137.8 Ų37.81%0.00819%0.186CC..Hα-helixtrans-62.9-51.2-179.700000112.3I225 V226 S260 F267 A268 V269I225-A265 VanDerWaalsContact O-CB 3.25Å; I225-A265 WeakPolarHBondContact O-CB 3.34Å; V226-A265 HydrophobicContact CG2-CB 3.74Å; S260-A265 PolarHBondContact O-N 3.41Å; A265-F267 VanDerWaalsContact C-N 3.3Å; A265-F267 PolarHBondContact O-N 3.03Å; A265-A268 WeakPolarHBondContact O-CB 3.17Å; A265-A268 PolarHBondContact O-N 3.24Å; A265-A268 VanDerWaalsContact O-N 3.09Å; A265-V269 WeakPolarHBondContact O-CG2 3.45Å; A265-V269 PolarHBondContact O-N 3.02Å
266P95.7Very high92Very high1 Ų133 Ų331%0.00616%0.161CC..Hα-helixtrans-65.2-33176.923.2-32.8000112.7F6 L8 V226 C261 L262 A268 V269 V270F6-P266 HydrophobicContact CB-CB 3.53Å; F6-P266 HydrophobicContact CB-CG 3.63Å; F6-P266 HydrophobicContact CD1-CB 4.4Å; F6-P266 HydrophobicContact CD2-CB 4.32Å; F6-P266 HydrophobicContact CD2-CG 3.92Å; F6-P266 HydrophobicContact CG-CB 3.85Å; F6-P266 HydrophobicContact CG-CG 3.91Å; L8-P266 HydrophobicContact CD1-CB 3.47Å; L8-P266 VanDerWaalsContact CD1-CB 3.47Å; L8-P266 HydrophobicContact CD2-CB 4.3Å; L8-P266 HydrophobicContact CG-CB 3.78Å; V226-P266 HydrophobicContact CG1-CB 4.15Å; C261-P266 WeakPolarHBondContact O-CD 3.38Å; L262-P266 VanDerWaalsContact C-CG 3.42Å; P266-A268 VanDerWaalsContact C-N 3.34Å; P266-A268 PolarHBondContact O-N 2.73Å; P266-V269 PolarHBondContact O-N 3.49Å; P266-V270 VanDerWaalsContact O-CG2 3.29Å; P266-V270 WeakPolarHBondContact O-CG2 3.47Å; P266-V270 PolarHBondContact O-N 3.49Å
267F93.7Very high91.2Very high53 Ų5327.9 Ų27.923%0.23214%0.14CC..Hα-helixtrans-59.9-43.4171.1174.7-93.6000112.2M1 F6 T263 K264 A265 V269 V270 T271 L289M1-F267 HydrophobicContact CE-CE2 3.56Å; M1-F267 HydrophobicContact CE-CZ 3.57Å; F6-F267 HydrophobicContact CE2-CB 3.99Å; F6-F267 HydrophobicContact CZ-CB 3.91Å; F6-F267 AromaticContact CZ-CD2 3.94Å; F6-F267 HydrophobicContact CZ-CD2 3.94Å; F6-F267 HydrophobicContact CZ-CG 4.45Å; T263-F267 WeakPolarHBondContact O-CB 3.49Å; T263-F267 PolarHBondContact O-N 3.33Å; T263-F267 VanDerWaalsContact O-N 3.16Å; K264-F267 WeakPolarHBondContact O-CB 3.37Å; K264-F267 PolarHBondContact O-N 3.43Å; A265-F267 VanDerWaalsContact C-N 3.3Å; A265-F267 PolarHBondContact O-N 3.03Å; F267-V269 VanDerWaalsContact C-N 3.33Å; F267-V269 PolarHBondContact O-N 3.34Å; F267-V270 PolarHBondContact O-N 2.96Å; F267-T271 WeakPolarHBondContact O-CB 3.46Å; F267-T271 PolarHBondContact O-N 3.44Å; F267-T271 PolarHBondContact O-OG1 2.92Å; F267-L289 HydrophobicContact CD2-CD1 4.49Å; F267-L289 HydrophobicContact CD2-CD2 4.19Å; F267-L289 HydrophobicContact CE2-CB 4Å; F267-L289 HydrophobicContact CE2-CD1 3.77Å; F267-L289 HydrophobicContact CE2-CD2 4.04Å; F267-L289 HydrophobicContact CE2-CG 4.16Å; F267-L289 HydrophobicContact CZ-CD1 3.94Å
268A92.9Very high89.8Confident37 Ų3735.5 Ų35.531%0.30617%0.168SC..Hα-helixtrans-62.3-41.3176.600000111.5K264 A265 P266 T271 H272K264-A268 PolarHBondContact O-N 3.26Å; A265-A268 WeakPolarHBondContact O-CB 3.17Å; A265-A268 PolarHBondContact O-N 3.24Å; A265-A268 VanDerWaalsContact O-N 3.09Å; P266-A268 VanDerWaalsContact C-N 3.34Å; P266-A268 PolarHBondContact O-N 2.73Å; A268-T271 WeakPolarHBondContact O-CB 3.5Å; A268-T271 PolarHBondContact O-N 3.09Å; A268-H272 WeakPolarHBondContact O-CB 3.19Å; A268-H272 PolarHBondContact O-N 3.24Å
269V95Very high87.9Confident0 Ų036.7 Ų36.70%018%0.175CC..Hα-helixtrans-61.8-49.9176.1169.30000112L8 I134 D156 L157 H184 V226 A265 P266 F267 T271 H272 G273L8-V269 HydrophobicContact CD1-CB 4.06Å; L8-V269 HydrophobicContact CD1-CG1 3.83Å; I134-V269 HydrophobicContact CG2-CG1 4.09Å; D156-V269 HydrophobicContact CB-CG1 4.07Å; L157-V269 HydrophobicContact CD1-CG1 3.89Å; L157-V269 HydrophobicContact CD2-CB 4.25Å; L157-V269 HydrophobicContact CD2-CG1 3.73Å; L157-V269 HydrophobicContact CD2-CG2 3.53Å; L157-V269 HydrophobicContact CG-CG1 3.55Å; L157-V269 HydrophobicContact CG-CG2 4.29Å; H184-V269 HydrophobicContact CB-CG2 3.68Å; H184-V269 WeakPolarHBondContact ND1-CG2 3.42Å; V226-V269 HydrophobicContact CG2-CG2 4.02Å; A265-V269 WeakPolarHBondContact O-CG2 3.45Å; A265-V269 PolarHBondContact O-N 3.02Å; P266-V269 PolarHBondContact O-N 3.49Å; F267-V269 VanDerWaalsContact C-N 3.33Å; F267-V269 PolarHBondContact O-N 3.34Å; V269-T271 VanDerWaalsContact C-N 3.27Å; V269-T271 PolarHBondContact O-N 3.12Å; V269-H272 PolarHBondContact O-N 3.01Å; V269-G273 PolarHBondContact O-N 3.02Å
270V93.2Very high86Confident0 Ų039.5 Ų39.50%020%0.198CC..Hα-helixtrans-61.4-41.3177.61790000109.9F6 L8 F105 I134 P266 F267 H272 G273 L274 L289F6-V270 HydrophobicContact CD1-CG2 4.29Å; F6-V270 HydrophobicContact CE1-CG2 4.38Å; L8-V270 HydrophobicContact CD1-CG2 4.32Å; L8-V270 HydrophobicContact CD2-CG2 3.69Å; F105-V270 HydrophobicContact CD1-CG1 4.03Å; F105-V270 HydrophobicContact CE1-CG1 3.67Å; F105-V270 HydrophobicContact CE2-CG1 4.28Å; F105-V270 HydrophobicContact CG-CG1 4.48Å; F105-V270 HydrophobicContact CZ-CG1 3.81Å; I134-V270 HydrophobicContact CD1-CG2 3.94Å; P266-V270 VanDerWaalsContact O-CG2 3.29Å; P266-V270 WeakPolarHBondContact O-CG2 3.47Å; P266-V270 PolarHBondContact O-N 3.49Å; F267-V270 PolarHBondContact O-N 2.96Å; V270-H272 VanDerWaalsContact C-N 3.35Å; V270-H272 PolarHBondContact O-N 2.94Å; V270-G273 PolarHBondContact O-N 3.12Å; V270-L274 HydrophobicContact CG1-CD1 3.82Å; V270-L274 HydrophobicContact CG1-CG 4.14Å; V270-L274 VanDerWaalsContact O-CB 3.32Å; V270-L274 WeakPolarHBondContact O-CB 3.17Å; V270-L274 WeakPolarHBondContact O-CG 3.13Å; V270-L274 PolarHBondContact O-N 3.35Å; V270-L289 HydrophobicContact CB-CD2 4.18Å; V270-L289 HydrophobicContact CG1-CD2 3.59Å
271T90.8Very high84.2Confident25 Ų2545.9 Ų45.915%0.15323%0.227CC..Hα-helixtrans-60.6-45.5176.9-54.40000111.4F267 A268 V269 L274 I275 L289F267-T271 WeakPolarHBondContact O-CB 3.46Å; F267-T271 PolarHBondContact O-N 3.44Å; F267-T271 PolarHBondContact O-OG1 2.92Å; A268-T271 WeakPolarHBondContact O-CB 3.5Å; A268-T271 PolarHBondContact O-N 3.09Å; V269-T271 VanDerWaalsContact C-N 3.27Å; V269-T271 PolarHBondContact O-N 3.12Å; T271-L274 PolarHBondContact O-N 3.28Å; T271-I275 HydrophobicContact CG2-CD1 3.89Å; T271-I275 VanDerWaalsContact O-CG1 3.26Å; T271-I275 WeakPolarHBondContact O-CG1 3.47Å; T271-I275 PolarHBondContact O-N 3.38Å; T271-L289 HydrophobicContact CG2-CD1 4.2Å; T271-L289 WeakPolarHBondContact OG1-CD1 3.27Å
272H91.1Very high82.3Confident61 Ų6147.7 Ų47.728%0.28225%0.246SC..Hα-helixtrans-60.8-50.2178.6-175-96.2000111.9D156 R181 A268 V269 V270 L274 I275 R276D156-H272 IonicContact OD1-CE1 3.51Å; D156-H272 IonicContact OD1-CG 2.87Å; D156-H272 IonicContact OD1-ND1 2.73Å; D156-H272 PolarHBondContact OD1-ND1 3.19Å; R181-H272 PolarHBondContact O-NE2 3.34Å; A268-H272 WeakPolarHBondContact O-CB 3.19Å; A268-H272 PolarHBondContact O-N 3.24Å; V269-H272 PolarHBondContact O-N 3.01Å; V270-H272 VanDerWaalsContact C-N 3.35Å; V270-H272 PolarHBondContact O-N 2.94Å; H272-L274 PolarHBondContact O-N 2.84Å; H272-I275 PolarHBondContact O-N 3.25Å; H272-R276 PolarHBondContact O-N 2.88Å
273G91.6Very high80.7Confident0 Ų050.5 Ų50.50%027%0.27CS..Hα-helixtrans-67.1-32.9-18000000113.8D133 D156 V269 V270 R276 S277D133-G273 CarbonylContact O-C 3.59Å; D133-G273 WeakPolarHBondContact O-CA 3.46Å; D156-G273 VanDerWaalsContact OD1-CA 3.31Å; D156-G273 WeakPolarHBondContact OD1-CA 3.48Å; D156-G273 PolarHBondContact OD1-N 3.14Å; V269-G273 PolarHBondContact O-N 3.02Å; V270-G273 PolarHBondContact O-N 3.12Å; G273-R276 PolarHBondContact O-N 3.36Å; G273-S277 WeakPolarHBondContact O-CB 3.36Å; G273-S277 PolarHBondContact O-N 2.91Å; G273-S277 PolarHBondContact O-OG 3.18Å
274L87.9Confident79.1Confident3 Ų350.7 Ų50.72%0.01627%0.273CS..Hα-helixtrans-69.2-37.8173.6-72.2-179.5000113F105 D133 V270 T271 H272 R276 S277 A285 K288 L289F105-L274 HydrophobicContact CE1-CD1 4.48Å; D133-L274 HydrophobicContact CB-CD2 4.02Å; D133-L274 VanDerWaalsContact OD1-CD2 3.23Å; D133-L274 WeakPolarHBondContact OD1-CD2 3.38Å; V270-L274 HydrophobicContact CG1-CD1 3.82Å; V270-L274 HydrophobicContact CG1-CG 4.14Å; V270-L274 VanDerWaalsContact O-CB 3.32Å; V270-L274 WeakPolarHBondContact O-CB 3.17Å; V270-L274 WeakPolarHBondContact O-CG 3.13Å; V270-L274 PolarHBondContact O-N 3.35Å; T271-L274 PolarHBondContact O-N 3.28Å; H272-L274 PolarHBondContact O-N 2.84Å; L274-R276 VanDerWaalsContact C-N 3.35Å; L274-S277 PolarHBondContact O-OG 3.36Å; L274-A285 HydrophobicContact CB-CB 3.87Å; L274-K288 HydrophobicContact CD1-CB 3.79Å; L274-K288 HydrophobicContact CD1-CD 3.96Å; L274-K288 HydrophobicContact CD2-CD 3.47Å; L274-K288 VanDerWaalsContact CD2-CD 3.47Å; L274-K288 HydrophobicContact CG-CD 4.33Å; L274-L289 HydrophobicContact CD1-CD2 4.28Å; L274-L289 HydrophobicContact CD1-CG 4.07Å
275I86.6Confident77.6Confident89 Ų8944.1 Ų44.146%0.45624%0.244SC..Hα-helixtrans-66.1-41.8174.3-69.9167.7000109.9T271 H272 A285T271-I275 HydrophobicContact CG2-CD1 3.89Å; T271-I275 VanDerWaalsContact O-CG1 3.26Å; T271-I275 WeakPolarHBondContact O-CG1 3.47Å; T271-I275 PolarHBondContact O-N 3.38Å; H272-I275 PolarHBondContact O-N 3.25Å; I275-A285 HydrophobicContact CG1-CB 3.86Å
276R84.4Confident76.3Confident48 Ų4848.5 Ų48.518%0.18127%0.267CS..Hα-helixtrans-60.7-48.8176.6-176.4-160.870.3-146.7-16.4112.5F132 V135 N154 D156 H272 G273 L274F132-R276 PolarHBondContact O-NH2 3.39Å; V135-R276 VanDerWaalsContact CG2-NH1 3.25Å; N154-R276 HydrophobicContact CB-CG 4.47Å; N154-R276 PolarHBondContact O-NH1 3.4Å; D156-R276 IonicContact OD1-NH1 3.43Å; D156-R276 PolarHBondContact OD1-NH1 2.63Å; D156-R276 IonicContact OD2-CZ 3.37Å; D156-R276 IonicContact OD2-NH1 2.7Å; D156-R276 PolarHBondContact OD2-NH1 3.39Å; D156-R276 IonicContact OD2-NH2 3.44Å; D156-R276 PolarHBondContact OD2-NH2 3.13Å; H272-R276 PolarHBondContact O-N 2.88Å; G273-R276 PolarHBondContact O-N 3.36Å; L274-R276 VanDerWaalsContact C-N 3.35Å
277S73.2Confident74.8Confident19 Ų1952 Ų5213%0.13329%0.285CS..Hα-helixtrans-73.8-44.3-165.549.90000114.3G130 G273 L274G130-S277 VanDerWaalsContact O-CB 3.27Å; G130-S277 WeakPolarHBondContact O-CB 3.49Å; G273-S277 WeakPolarHBondContact O-CB 3.36Å; G273-S277 PolarHBondContact O-N 2.91Å; G273-S277 PolarHBondContact O-OG 3.18Å; L274-S277 PolarHBondContact O-OG 3.36Å
278R61.2Low73.4Confident161 Ų16152 Ų5261%0.60829%0.285SS*.Hα-helixtrans-151.222.1-164.1-70.1-164.5179.3-175.6-0.2118.5
279T52.4Low72.2Confident32 Ų3250.3 Ų50.320%0.19627%0.271CS..  trans-135.1108.3-176.465.50000115.2H281 A284 A285T279-H281 WeakPolarHBondContact CB-O 3.23Å; T279-H281 PolarHBondContact O-N 3.06Å; T279-A284 HydrophobicContact CG2-CB 3.53Å; T279-A285 HydrophobicContact CG2-CB 4.48Å
280V52.3Low70.7Confident141 Ų14154 Ų5486%0.85529%0.29SS*.SBendtrans-61.1-16.1155.8179.40000110.9
281H54.9Low68.8Low138 Ų13857.2 Ų57.264%0.63931%0.312SS*.SBendtrans-131.1103.7-179.5-62.770.5000110.1T279 A283 A284T279-H281 WeakPolarHBondContact CB-O 3.23Å; T279-H281 PolarHBondContact O-N 3.06Å; H281-A283 PolarHBondContact O-N 2.66Å; H281-A284 PolarHBondContact O-N 3.39Å
282G57.2Low67Low39 Ų3960.8 Ų60.840%0.40233%0.329SS..Hα-helixtrans-51.2-17.6178.200000114.9A284 A285 L286G282-A284 VanDerWaalsContact C-N 3.31Å; G282-A284 PolarHBondContact O-N 3.12Å; G282-A285 WeakPolarHBondContact O-CB 3.16Å; G282-A285 PolarHBondContact O-N 2.65Å; G282-L286 PolarHBondContact O-N 3.1Å
283A59.3Low65.1Low62 Ų6262 Ų6251%0.51234%0.342SS..Hα-helixtrans-55.9-38.6169.200000113.9H281 L286 L287H281-A283 PolarHBondContact O-N 2.66Å; A283-L286 PolarHBondContact O-N 2.82Å; A283-L287 WeakPolarHBondContact O-CG 3.28Å; A283-L287 PolarHBondContact O-N 3.16Å
284A60.4Low63.2Low16 Ų1668.9 Ų68.913%0.13238%0.379CS..Hα-helixtrans-69.3-33.7178.400000112.1T279 H281 G282 L286 L287 K288 I298T279-A284 HydrophobicContact CG2-CB 3.53Å; H281-A284 PolarHBondContact O-N 3.39Å; G282-A284 VanDerWaalsContact C-N 3.31Å; G282-A284 PolarHBondContact O-N 3.12Å; A284-L286 VanDerWaalsContact C-N 3.35Å; A284-L287 PolarHBondContact O-N 3.36Å; A284-K288 PolarHBondContact O-N 3.02Å; A284-I298 HydrophobicContact CB-CD1 3.94Å; A284-I298 HydrophobicContact CB-CG2 4.21Å; A284-I298 WeakPolarHBondContact O-CD1 3.5Å
285A62Low61.7Low1 Ų170.6 Ų70.61%0.00839%0.39CS..Hα-helixtrans-63.2-43.417300000110.8L274 I275 T279 G282 L287 K288 L289L274-A285 HydrophobicContact CB-CB 3.87Å; I275-A285 HydrophobicContact CG1-CB 3.86Å; T279-A285 HydrophobicContact CG2-CB 4.48Å; G282-A285 WeakPolarHBondContact O-CB 3.16Å; G282-A285 PolarHBondContact O-N 2.65Å; A285-L287 VanDerWaalsContact C-N 3.34Å; A285-L287 PolarHBondContact O-N 3.1Å; A285-K288 PolarHBondContact O-N 2.89Å; A285-L289 WeakPolarHBondContact O-CG 3.48Å; A285-L289 PolarHBondContact O-N 3.36Å
286L66Low60.1Low93 Ų9370.7 Ų70.749%0.48740%0.398SS..Hα-helixtrans-61.8-39175-68.1173.4000112.3G282 A283 A284 K288 L289 L290G282-L286 PolarHBondContact O-N 3.1Å; A283-L286 PolarHBondContact O-N 2.82Å; A284-L286 VanDerWaalsContact C-N 3.35Å; L286-K288 PolarHBondContact O-N 3.48Å; L286-L289 CarbonylContact O-C 3.57Å; L286-L289 WeakPolarHBondContact O-CA 3.46Å; L286-L289 WeakPolarHBondContact O-CB 3.31Å; L286-L289 PolarHBondContact O-N 2.99Å; L286-L290 VanDerWaalsContact O-CG 3.26Å; L286-L290 WeakPolarHBondContact O-CG 3.49Å; L286-L290 PolarHBondContact O-N 3.26Å
287L64.4Low58.9Low73 Ų7372.1 Ų72.138%0.38242%0.415SS..Hα-helixtrans-63.2-37.1178.4-75.5171.8000113.4A283 A284 A285 L289 L290 I298A283-L287 WeakPolarHBondContact O-CG 3.28Å; A283-L287 PolarHBondContact O-N 3.16Å; A284-L287 PolarHBondContact O-N 3.36Å; A285-L287 VanDerWaalsContact C-N 3.34Å; A285-L287 PolarHBondContact O-N 3.1Å; L287-L289 PolarHBondContact O-N 3.44Å; L287-L290 HydrophobicContact CD2-CD1 4.11Å; L287-L290 PolarHBondContact O-N 3.46Å; L287-I298 HydrophobicContact CB-CD1 3.6Å; L287-I298 HydrophobicContact CD1-CD1 4.33Å
288K65.5Low58.1Low53 Ų5373.7 Ų73.723%0.2342%0.422CS..Hα-helixtrans-63.4-30.7172.1-86.5-175.8168.1-169.70112.4R103 D133 L274 A284 A285 L286 I298R103-K288 WeakPolarHBondContact CD-O 3.39Å; R103-K288 PolarHBondContact NE-O 3.19Å; D133-K288 IonicContact OD1-NZ 3.89Å; D133-K288 PolarHBondContact OD1-NZ 3.34Å; L274-K288 HydrophobicContact CD1-CB 3.79Å; L274-K288 HydrophobicContact CD1-CD 3.96Å; L274-K288 HydrophobicContact CD2-CD 3.47Å; L274-K288 VanDerWaalsContact CD2-CD 3.47Å; L274-K288 HydrophobicContact CG-CD 4.33Å; A284-K288 PolarHBondContact O-N 3.02Å; A285-K288 PolarHBondContact O-N 2.89Å; L286-K288 PolarHBondContact O-N 3.48Å; K288-I298 HydrophobicContact CG-CD1 4.09Å
289L66.4Low58Low3 Ų371.6 Ų71.62%0.01643%0.427CS..Hα-helixtrans-87.4-27.1-179.2-67.6169.5000113.6K4 F267 V270 T271 L274 A285 L286 L287K4-L289 PolarHBondContact NZ-O 2.95Å; K4-L289 VanDerWaalsContact NZ-O 3.08Å; F267-L289 HydrophobicContact CD2-CD1 4.49Å; F267-L289 HydrophobicContact CD2-CD2 4.19Å; F267-L289 HydrophobicContact CE2-CB 4Å; F267-L289 HydrophobicContact CE2-CD1 3.77Å; F267-L289 HydrophobicContact CE2-CD2 4.04Å; F267-L289 HydrophobicContact CE2-CG 4.16Å; F267-L289 HydrophobicContact CZ-CD1 3.94Å; V270-L289 HydrophobicContact CB-CD2 4.18Å; V270-L289 HydrophobicContact CG1-CD2 3.59Å; T271-L289 HydrophobicContact CG2-CD1 4.2Å; T271-L289 WeakPolarHBondContact OG1-CD1 3.27Å; L274-L289 HydrophobicContact CD1-CD2 4.28Å; L274-L289 HydrophobicContact CD1-CG 4.07Å; A285-L289 WeakPolarHBondContact O-CG 3.48Å; A285-L289 PolarHBondContact O-N 3.36Å; L286-L289 CarbonylContact O-C 3.57Å; L286-L289 WeakPolarHBondContact O-CA 3.46Å; L286-L289 WeakPolarHBondContact O-CB 3.31Å; L286-L289 PolarHBondContact O-N 2.99Å; L287-L289 PolarHBondContact O-N 3.44Å
290L65Low58.1Low77 Ų7774.6 Ų74.640%0.40344%0.444SS..SBendtrans-64.9138.2177.7-77169.4000109.9R103 L286 L287 M292R103-L290 PolarHBondContact NH2-O 3.02Å; L286-L290 VanDerWaalsContact O-CG 3.26Å; L286-L290 WeakPolarHBondContact O-CG 3.49Å; L286-L290 PolarHBondContact O-N 3.26Å; L287-L290 HydrophobicContact CD2-CD1 4.11Å; L287-L290 PolarHBondContact O-N 3.46Å; L290-M292 PolarHBondContact O-N 3.34Å
291S51.6Low57.9Low67 Ų6776.2 Ų76.247%0.46944%0.44SS..  trans-79.148.7177.5-170.30000111P293S291-P293 VanDerWaalsContact O-CD 3.27Å; S291-P293 WeakPolarHBondContact O-CD 3.32Å
292M53.2Low57.4Low100 Ų10075 Ų7549%0.49344%0.444SS..  trans-85.2110.4164.6-64-150.781.100107.4R103 L290 N294 V295R103-M292 PolarHBondContact NH2-O 3.02Å; R103-M292 VanDerWaalsContact NH2-O 3.12Å; L290-M292 PolarHBondContact O-N 3.34Å; M292-N294 PolarHBondContact O-N 3.29Å; M292-V295 HydrophobicContact CB-CG2 4.12Å; M292-V295 PolarHBondContact O-N 3.3Å
293P51.2Low56.6Low88 Ų8879.6 Ų79.657%0.57147%0.465SS*.THydrogen-bonded Turntrans-58.4-18.5-178.822.9-33.1000113S291S291-P293 VanDerWaalsContact O-CD 3.27Å; S291-P293 WeakPolarHBondContact O-CD 3.32Å
294N52.7Low55.9Low143 Ų14382.2 Ų82.277%0.76547%0.474SS*.THydrogen-bonded Turntrans-86.8-9-174.2-57.4-10.3000114M292M292-N294 PolarHBondContact O-N 3.29Å
295V55.3Low54.7Low40 Ų4088.2 Ų88.224%0.24250%0.504CS..  trans-105.798.5-177.4-174.10000109.8R103 M292 I298R103-V295 PolarHBondContact NH1-O 3.27Å; R103-V295 PolarHBondContact NH2-O 3.43Å; M292-V295 HydrophobicContact CB-CG2 4.12Å; M292-V295 PolarHBondContact O-N 3.3Å; V295-I298 HydrophobicContact CG1-CG1 4.24Å
296S53.4Low53.3Low90 Ų9097.9 Ų97.963%0.62955%0.546SS*.  trans-91.7-32.9-179.757.10000113.4
297S58.9Low51.7Low79 Ų79101.7 Ų101.755%0.55256%0.561SS**  trans-153.4154.5178.263.40000110.5
298I56.3Low50Low52 Ų52103.1 Ų103.127%0.26758%0.578SS.*  trans-116.7108.9171.8-58171.1000106.2A284 L287 K288 V295 V300A284-I298 HydrophobicContact CB-CD1 3.94Å; A284-I298 HydrophobicContact CB-CG2 4.21Å; A284-I298 WeakPolarHBondContact O-CD1 3.5Å; L287-I298 HydrophobicContact CB-CD1 3.6Å; L287-I298 HydrophobicContact CD1-CD1 4.33Å; K288-I298 HydrophobicContact CG-CD1 4.09Å; V295-I298 HydrophobicContact CG1-CG1 4.24Å; I298-V300 HydrophobicContact CG2-CG2 4.36Å; I298-V300 PolarHBondContact O-N 2.84Å
299V59.4Low48.4Very low117 Ų117107.4 Ų107.471%0.70961%0.608SS**  trans-85.4103.4172.5-178.50000107.2K301V299-K301 PolarHBondContact O-N 2.76Å; V299-K301 VanDerWaalsContact O-N 3.16Å
300V54.6Low46.6Very low94 Ų94114.5 Ų114.557%0.5765%0.646SS**  trans-75.8101.3167.4-176.30000106.5I298I298-V300 HydrophobicContact CG2-CG2 4.36Å; I298-V300 PolarHBondContact O-N 2.84Å
301K49.6Very low45Very low176 Ų176120.3 Ų120.377%0.76567%0.671SS**  trans-65.3129.7167.3-73.4-176.8178.4179.40107.4V299 T303V299-K301 PolarHBondContact O-N 2.76Å; V299-K301 VanDerWaalsContact O-N 3.16Å; K301-T303 PolarHBondContact O-N 3.08Å
302P43.2Very low44Very low112 Ų112121.9 Ų121.973%0.72769%0.688SS**  trans-58127.7171.822.6-29.8000108.3V304P302-V304 VanDerWaalsContact C-N 3.32Å; P302-V304 PolarHBondContact O-N 3.22Å
303T41Very low43Very low135 Ų135122.7 Ų122.783%0.82870%0.704SS**  trans-61.798.9168.54.80000106.9K301 N305K301-T303 PolarHBondContact O-N 3.08Å; T303-N305 PolarHBondContact O-N 2.92Å
304V43.7Very low41.7Very low118 Ų118124.3 Ų124.372%0.71572%0.716SS**  trans-61.4110.3165.5177.50000105.4P302 K306P302-V304 VanDerWaalsContact C-N 3.32Å; P302-V304 PolarHBondContact O-N 3.22Å; V304-K306 PolarHBondContact O-N 3.12Å
305N35.9Very low40.9Very low142 Ų142124.3 Ų124.376%0.75972%0.721SS**  trans-57.294.9165.8-82.7-16000107.1T303 Q307T303-N305 PolarHBondContact O-N 2.92Å; N305-Q307 PolarHBondContact O-N 3.4Å
306K32.9Very low39.6Very low204 Ų204129.9 Ų129.989%0.88774%0.744SS**  trans-70.682.9165.1-80.5-172.5174.2-173.40107.4V304V304-K306 PolarHBondContact O-N 3.12Å
307Q31.1Very low38.6Very low172 Ų172133.6 Ų133.680%0.80476%0.757SS**  trans-105116.1151.5-84.5-178.5-19.500107.3N305N305-Q307 PolarHBondContact O-N 3.4Å
308S30.2Very low37.2Very low104 Ų104137 Ų13773%0.72776%0.764SS**  trans49.5108.2156.257.50000118.3
309T30.8Very low36.1Very low143 Ų143142 Ų14288%0.87779%0.791SS**  -159.1131.7113.718.50000108.7
310D28.3Very low35Very low152 Ų152141.7 Ų141.781%0.81379%0.791SS**  trans-60.6146.1179.5-57.7-63.6000111.7
311E32.3Very low34Very low199 Ų199143.3 Ų143.393%0.9381%0.805SS**  -178.4148.8119.6-96.8177-170.500110.8
312A29.7Very low33.4Very low99 Ų99144.6 Ų144.682%0.81881%0.81SS**  trans-72.6142.4-158.700000115.2
313S32.5Very low32.9Very low118 Ų118149.1 Ų149.183%0.82582%0.819SS**  trans-165.5114.7131.460.30000110.3
314C24.5Very low32.7Very low122 Ų122150.5 Ų150.582%0.82482%0.819SS**  trans-64129.5172.5-54.10000111.4
315V35.2Very low32.2Very low142 Ų142154.2 Ų154.286%0.86183%0.826SS**  trans-145.2120.2138.9-178.10000107.3
316E27.3Very low32Very low157 Ų157155.4 Ų155.473%0.73483%0.831SS**  trans-69.9132.6174.5-61.9174.4132.300110.1
317D33.8Very low32.1Very low168 Ų168152 Ų15290%0.89883%0.828SS**  trans-141.9110.6145.6-107.2-26.3000108.5
318Q28.2Very low32.7Very low151 Ų151156.7 Ų156.771%0.70685%0.85SS**  trans-81.5139.4-178.8-60.8176.87.500109.7
319L33.9Very low32.8Very low158 Ų158159.3 Ų159.383%0.82786%0.856SS**  159.2151.6120.7-81166.5000111.6
320P36.9Very low32.9Very low109 Ų109160.2 Ų160.271%0.70886%0.855SS**  -113.7143.5-128.937.7-29000114.9K322P320-K322 PolarHBondContact O-N 3.42Å
321C33.7Very low33.1Very low129 Ų129160.6 Ų160.687%0.87286%0.857SS**PPolyproline II helixtrans-73.7117.1171.1-63.40000111.3K323C321-K323 PolarHBondContact O-N 3.22Å
322K35.8Very low33.2Very low202 Ų202158.4 Ų158.488%0.87885%0.853SS**PPolyproline II helixtrans-63.3117.1172.4-75.3178.4175.3176.70110.7P320P320-K322 PolarHBondContact O-N 3.42Å
323K33.8Very low33.4Very low208 Ų208162.1 Ų162.190%0.90486%0.855SS**PPolyproline II helixtrans-71.9119.9168.2-73.4179.3177.7177.10109.6C321C321-K323 PolarHBondContact O-N 3.22Å
324I36.3Very low33.5Very low164 Ų164165 Ų16584%0.84186%0.857SS**PPolyproline II helixtrans-86.7119.3168.3-61.8172.7000107.5
325K32.1Very low34.1Very low195 Ų195168.1 Ų168.185%0.84886%0.859SS**  trans-90.5114.4-179.4-154.5178.5-173.9-175.80107.9T327K325-T327 PolarHBondContact O-N 3.29Å
326L32.4Very low34Very low167 Ų167170.1 Ų170.187%0.87486%0.859SS**  trans-75113.3170.1-83.4146.9000108.2
327T36Very low34.6Very low132 Ų132171.2 Ų171.281%0.8187%0.869SS**  trans-74.6144.7166.839.30000110.1K325K325-T327 PolarHBondContact O-N 3.29Å
328Q42Very low34.6Very low271 Ų271171.5 Ų171.5100%1.26687%0.867SS**  trans-49.80-171.7-67.3172.6-25.700114.9

Retrieved 328 of 328 residues in 91.2 ms (Link to these results)

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