A0A060X5Z4_ONCMY Loading...

3-ketoacyl-CoA thiolase, mitochondrial

AlphaFold DB , UniProt , Accession A0A060X5Z4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 397 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
1M56.5Low92.9Very high206 Ų20647.8 Ų47.8100%1.01525%0.247SC*.  0129.10-66.6-175.7-156.800107.7
2S80.6Confident93.4Very high49 Ų4943.9 Ų43.934%0.34323%0.227SC..  trans-92.5-21.7-174.494.40000114V280 A281 K306S2-V280 PolarHBondContact OG-O 3.24Å; S2-A281 WeakPolarHBondContact OG-CA 3.42Å; S2-A281 WeakPolarHBondContact OG-CB 3.43Å; S2-K306 VanDerWaalsContact CB-O 3.3Å; S2-K306 WeakPolarHBondContact CB-O 3.31Å
3L96.7Very high93.8Very high20 Ų2042.7 Ų42.711%0.10522%0.219CC..SBendtrans-98.5147.9170.2-83.568000110.1R5 V7 A103 I279 Y282L3-R5 VanDerWaalsContact C-N 3.29Å; L3-R5 WeakPolarHBondContact CB-O 3.17Å; L3-R5 PolarHBondContact O-N 2.74Å; L3-V7 HydrophobicContact CD2-CB 4.1Å; L3-V7 HydrophobicContact CD2-CG2 3.79Å; L3-A103 HydrophobicContact CD2-CB 4.22Å; L3-I279 HydrophobicContact CD2-CB 4.35Å; L3-I279 HydrophobicContact CD2-CG2 4.08Å; L3-Y282 HydrophobicContact CD1-CD1 4.26Å; L3-Y282 HydrophobicContact CD1-CE1 4.12Å; L3-Y282 HydrophobicContact CD2-CE1 4.49Å; L3-Y282 HydrophobicContact CG-CE1 4.34Å
4L97.6Very high94.2Very high147 Ų14739.6 Ų39.677%0.7720%0.204SC*.SBendtrans-69.1-27-179.5-65.6175.6000113C107L4-C107 HydrophobicContact CB-CB 4.16Å
5R98.1Very high94.5Very high29 Ų2937 Ų3711%0.10919%0.19CC..SBendtrans-132.8154.1174.6-67.9175.267.2-167.87.6109.1L3 V7 I106 E112 S264 E266L3-R5 VanDerWaalsContact C-N 3.29Å; L3-R5 WeakPolarHBondContact CB-O 3.17Å; L3-R5 PolarHBondContact O-N 2.74Å; R5-V7 PolarHBondContact O-N 2.97Å; R5-I106 VanDerWaalsContact CD-O 3.31Å; R5-I106 WeakPolarHBondContact CD-O 3.45Å; R5-I106 PolarHBondContact NH1-O 2.96Å; R5-E112 IonicContact CZ-OE1 3.52Å; R5-E112 IonicContact CZ-OE2 3.61Å; R5-E112 IonicContact NH1-OE1 3.34Å; R5-E112 PolarHBondContact NH1-OE1 2.79Å; R5-E112 IonicContact NH1-OE2 3.91Å; R5-E112 VanDerWaalsContact NH2-CD 3.31Å; R5-E112 IonicContact NH2-OE1 3.62Å; R5-E112 PolarHBondContact NH2-OE1 3.45Å; R5-E112 IonicContact NH2-OE2 2.82Å; R5-E112 PolarHBondContact NH2-OE2 2.87Å; R5-S264 VanDerWaalsContact NH2-CB 3.33Å; R5-E266 IonicContact CZ-OE2 2.75Å; R5-E266 IonicContact NE-OE2 3.35Å; R5-E266 IonicContact NH2-OE1 3.23Å; R5-E266 IonicContact NH2-OE2 3.44Å; R5-E266 PolarHBondContact NH2-OE2 3.33Å
6N98.1Very high94.8Very high42 Ų4234.7 Ų34.723%0.22518%0.178CC..  trans-69126.6170.2-74.2-36.6000109.5F8 E265N6-F8 HydrophobicContact CB-CE2 3.7Å; N6-F8 HydrophobicContact CB-CZ 4.08Å; N6-E265 HydrophobicContact CB-CB 4.07Å; N6-E265 PolarHBondContact ND2-OE2 3.26Å; N6-E265 PolarHBondContact O-N 3.31Å
7V98.8Very high95Very high0 Ų032.6 Ų32.60%017%0.168CC..EExtended strand (participates in β ladder)trans-119.6123.7177.3-177.20000108.1L3 R5 A103 I106 I262 R278 I279L3-V7 HydrophobicContact CD2-CB 4.1Å; L3-V7 HydrophobicContact CD2-CG2 3.79Å; R5-V7 PolarHBondContact O-N 2.97Å; V7-A103 HydrophobicContact CG1-CB 4.27Å; V7-A103 HydrophobicContact CG2-CB 4.4Å; V7-I106 HydrophobicContact CG1-CD1 3.9Å; V7-I106 HydrophobicContact CG2-CB 4.13Å; V7-I106 HydrophobicContact CG2-CG2 3.8Å; V7-I262 HydrophobicContact CG1-CB 4.08Å; V7-I262 HydrophobicContact CG1-CD1 4.1Å; V7-I262 HydrophobicContact CG1-CG1 4.48Å; V7-R278 WeakPolarHBondContact O-CA 3.36Å; V7-I279 HydrophobicContact CB-CB 4.49Å; V7-I279 HydrophobicContact CG1-CD1 3.96Å; V7-I279 PolarHBondContact O-N 3.46Å
8F98.9Very high95.2Very high28 Ų2830.8 Ų30.812%0.12316%0.158CC..EExtended strand (participates in β ladder)trans-110.8141.1-177.1-65-83.4000110.9N6 V10 I262 A263 E265 V268 P275 A277 R278 T396N6-F8 HydrophobicContact CB-CE2 3.7Å; N6-F8 HydrophobicContact CB-CZ 4.08Å; F8-V10 HydrophobicContact CB-CG1 4.47Å; F8-I262 CarbonylContact O-C 3.54Å; F8-I262 WeakPolarHBondContact O-CA 3.48Å; F8-A263 PolarHBondContact N-O 3.46Å; F8-A263 PolarHBondContact O-N 2.97Å; F8-E265 HydrophobicContact CD2-CB 4.46Å; F8-E265 HydrophobicContact CE2-CB 3.79Å; F8-E265 HydrophobicContact CE2-CG 3.95Å; F8-V268 HydrophobicContact CB-CG2 4Å; F8-V268 HydrophobicContact CD2-CG2 4Å; F8-V268 HydrophobicContact CG-CG2 4.24Å; F8-P275 HydrophobicContact CB-CB 3.92Å; F8-P275 HydrophobicContact CD1-CB 3.61Å; F8-P275 HydrophobicContact CE1-CB 4.36Å; F8-P275 HydrophobicContact CG-CB 3.91Å; F8-A277 CarbonylContact C-O 3.6Å; F8-A277 WeakPolarHBondContact CA-O 3.43Å; F8-R278 HydrophobicContact CD1-CB 3.94Å; F8-R278 HydrophobicContact CD1-CG 4.21Å; F8-R278 HydrophobicContact CE1-CB 3.9Å; F8-R278 HydrophobicContact CE1-CG 3.97Å; F8-R278 HydrophobicContact CZ-CG 4.44Å; F8-T396 HydrophobicContact CD1-CG2 4Å; F8-T396 HydrophobicContact CE1-CG2 4.05Å
9I98.9Very high95.4Very high0 Ų031.3 Ų31.30%016%0.163CC..EExtended strand (participates in β ladder)trans-84119.2163.4-62.8168.2000106.8A12 V260 I262 L276 A277 I279 T362 V366 I393I9-A12 HydrophobicContact CG2-CB 4.31Å; I9-V260 HydrophobicContact CB-CG1 4.39Å; I9-V260 HydrophobicContact CD1-CG1 4.35Å; I9-V260 HydrophobicContact CG1-CG1 4.02Å; I9-V260 HydrophobicContact CG2-CG1 3.62Å; I9-I262 HydrophobicContact CG1-CG2 3.96Å; I9-L276 WeakPolarHBondContact O-CB 3.31Å; I9-L276 PolarHBondContact O-N 2.89Å; I9-A277 PolarHBondContact N-O 3.34Å; I9-A277 PolarHBondContact O-N 3.49Å; I9-I279 HydrophobicContact CD1-CG1 4.28Å; I9-I279 HydrophobicContact CG1-CD1 4.4Å; I9-I279 HydrophobicContact CG1-CG1 4.19Å; I9-T362 HydrophobicContact CD1-CG2 3.84Å; I9-V366 HydrophobicContact CB-CG2 4.46Å; I9-V366 HydrophobicContact CD1-CG2 3.6Å; I9-V366 HydrophobicContact CG2-CG1 4.44Å; I9-V366 HydrophobicContact CG2-CG2 4.11Å; I9-I393 HydrophobicContact CD1-CG2 3.97Å
10V98.8Very high95.5Very high3 Ų335.8 Ų35.82%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-104.9-16.3-178.9-61.90000112.6F8 V46 V261 A263 V268 L273 T274F8-V10 HydrophobicContact CB-CG1 4.47Å; V10-V46 HydrophobicContact CG2-CG2 3.92Å; V10-V261 HydrophobicContact CG2-CB 3.86Å; V10-V261 HydrophobicContact CG2-CG1 3.7Å; V10-V261 WeakPolarHBondContact CG2-O 3.26Å; V10-V261 PolarHBondContact N-O 3.34Å; V10-A263 HydrophobicContact CG1-CB 4.06Å; V10-V268 HydrophobicContact CG1-CG2 3.86Å; V10-L273 HydrophobicContact CB-CB 4.29Å; V10-L273 HydrophobicContact CG1-CB 3.89Å; V10-L273 HydrophobicContact CG1-CD1 4.18Å; V10-L273 HydrophobicContact CG2-CD1 4.32Å; V10-T274 WeakPolarHBondContact CA-O 3.4Å
11S98.8Very high95.7Very high2 Ų236 Ų361%0.01419%0.19CC..EExtended strand (participates in β ladder)trans-158.3152.1167.663.70000111A40 V260 V261S11-A40 WeakPolarHBondContact CB-O 3.23Å; S11-A40 PolarHBondContact OG-O 2.66Å; S11-V260 WeakPolarHBondContact O-CA 3.49Å; S11-V261 PolarHBondContact N-O 3.37Å; S11-V261 PolarHBondContact O-N 2.69Å; S11-V261 VanDerWaalsContact OG-CB 3.29Å; S11-V261 WeakPolarHBondContact OG-CB 3.38Å; S11-V261 WeakPolarHBondContact OG-CG2 3.46Å
12A98.8Very high97.6Very high1 Ų126.9 Ų26.91%0.00815%0.148CC..EExtended strand (participates in β ladder)trans-149123.6173.400000109.9I9 A259 V260 A363 H367I9-A12 HydrophobicContact CG2-CB 4.31Å; A12-A259 WeakPolarHBondContact CA-O 3.12Å; A12-V260 HydrophobicContact CB-CG1 4.43Å; A12-V260 HydrophobicContact CB-CG2 4.12Å; A12-A363 HydrophobicContact CB-CB 3.69Å; A12-H367 PolarHBondContact O-NE2 3.01Å
13K98.9Very high98.4Very high28 Ų2827.6 Ų27.612%0.12215%0.151CC..EExtended strand (participates in β ladder)trans-138.8152.2-179-63.4-65.7-70.31740110.4A39 A40 A43 A201 E202 I203 A258 A259K13-A39 HydrophobicContact CB-CB 4.09Å; K13-A39 HydrophobicContact CG-CB 4.18Å; K13-A40 HydrophobicContact CB-CB 4.17Å; K13-A40 HydrophobicContact CG-CB 4.22Å; K13-A43 HydrophobicContact CD-CB 4.05Å; K13-A43 HydrophobicContact CG-CB 4.06Å; K13-A201 WeakPolarHBondContact CD-O 3.4Å; K13-A201 PolarHBondContact NZ-O 2.76Å; K13-E202 CarbonylContact C-O 3.49Å; K13-E202 WeakPolarHBondContact CA-O 3.32Å; K13-E202 WeakPolarHBondContact CE-O 3.38Å; K13-E202 PolarHBondContact NZ-O 3.34Å; K13-I203 WeakPolarHBondContact CE-O 3.36Å; K13-I203 PolarHBondContact NZ-O 3.19Å; K13-A258 CarbonylContact O-C 3.58Å; K13-A258 WeakPolarHBondContact O-CA 3.44Å; K13-A259 PolarHBondContact N-O 2.92Å; K13-A259 PolarHBondContact O-N 3.48Å; K13-A259 VanDerWaalsContact O-O 3.12Å
14R98.9Very high98.4Very high0 Ų026.6 Ų26.60%015%0.146CC..EExtended strand (participates in β ladder)trans-138.8150.7178.46482.3168.1-171.7-3.3111.2P16 E202 I203 A204 D220 A257 A258 R360R14-P16 VanDerWaalsContact NH1-CA 3.35Å; R14-E202 HydrophobicContact CG-CB 4.1Å; R14-E202 HydrophobicContact CG-CG 4.11Å; R14-E202 IonicContact CZ-OE1 2.65Å; R14-E202 PolarHBondContact N-O 3.17Å; R14-E202 IonicContact NE-OE1 3.55Å; R14-E202 PolarHBondContact NE-OE1 3.37Å; R14-E202 IonicContact NH2-OE1 2.96Å; R14-I203 CarbonylContact O-C 3.45Å; R14-I203 WeakPolarHBondContact O-CA 3.45Å; R14-A204 PolarHBondContact O-N 2.88Å; R14-D220 IonicContact CZ-OD1 3.73Å; R14-D220 IonicContact CZ-OD2 3.85Å; R14-D220 IonicContact NH1-OD1 3.15Å; R14-D220 PolarHBondContact NH1-OD1 2.91Å; R14-D220 IonicContact NH1-OD2 3.27Å; R14-D220 PolarHBondContact NH1-OD2 2.95Å; R14-D220 IonicContact NH2-OD1 2.81Å; R14-D220 IonicContact NH2-OD2 3.97Å; R14-D220 PolarHBondContact NH2-OD2 2.84Å; R14-A257 CarbonylContact C-O 3.53Å; R14-A257 WeakPolarHBondContact CA-O 3.25Å; R14-A258 HydrophobicContact CB-CB 3.61Å; R14-R360 HydrophobicContact CB-CG 4.43Å; R14-R360 HydrophobicContact CG-CG 4.2Å
15T98.9Very high98.5Very high0 Ų024.3 Ų24.30%013%0.129CC..PPolyproline II helixtrans-72.2156.8170.769.70000109.6A36 I206 G256 A257T15-A36 HydrophobicContact CG2-CB 4.12Å; T15-I206 HydrophobicContact CG2-CD1 3.68Å; T15-G256 WeakPolarHBondContact OG1-CA 3.43Å; T15-A257 HydrophobicContact CG2-CB 3.99Å; T15-A257 PolarHBondContact N-O 3.09Å; T15-A257 PolarHBondContact OG1-N 2.87Å; T15-A257 PolarHBondContact OG1-O 3.49Å
16P98.7Very high98.4Very high0 Ų027.9 Ų27.90%015%0.15CC..PPolyproline II helixtrans-48142.6151.1-19.930000110.2R14 L24 I203 A204 M217R14-P16 VanDerWaalsContact NH1-CA 3.35Å; P16-L24 WeakPolarHBondContact O-CD1 3.41Å; P16-I203 HydrophobicContact CG-CG2 4.1Å; P16-A204 VanDerWaalsContact CD-O 3.23Å; P16-A204 WeakPolarHBondContact CD-O 3.39Å; P16-M217 HydrophobicContact CB-CE 3.59Å; P16-M217 HydrophobicContact CB-CG 3.72Å; P16-M217 HydrophobicContact CB-SD 3.67Å; P16-M217 HydrophobicContact CG-CB 4.35Å; P16-M217 HydrophobicContact CG-CG 3.89Å; P16-M217 WeakPolarHBondContact CG-O 3.19Å; P16-M217 HydrophobicContact CG-SD 4.27Å
17F98.9Very high98.4Very high0 Ų028.3 Ų28.30%015%0.151CC..PPolyproline II helixtrans-89.9128.2170.6-74.62000109.8M217 D220 E221 D255 I350 P353 A356 R360F17-M217 WeakPolarHBondContact O-CE 3.11Å; F17-D220 PolarHBondContact N-OD1 3.24Å; F17-E221 PolarHBondContact O-N 3.16Å; F17-D255 CarbonylContact C-O 3.46Å; F17-D255 WeakPolarHBondContact CA-O 3.47Å; F17-I350 WeakPolarHBondContact CB-O 3.35Å; F17-I350 HydrophobicContact CD2-CD1 4.45Å; F17-I350 HydrophobicContact CD2-CG1 4.28Å; F17-P353 HydrophobicContact CD1-CG 4Å; F17-P353 VanDerWaalsContact CD2-CD 3.44Å; F17-P353 HydrophobicContact CD2-CG 3.5Å; F17-P353 HydrophobicContact CE1-CG 3.7Å; F17-P353 HydrophobicContact CE2-CG 3.17Å; F17-P353 HydrophobicContact CG-CG 3.9Å; F17-P353 HydrophobicContact CZ-CG 3.27Å; F17-A356 HydrophobicContact CE1-CB 4.44Å; F17-A356 HydrophobicContact CZ-CB 4.23Å; F17-R360 HydrophobicContact CE2-CB 4.41Å; F17-R360 HydrophobicContact CE2-CG 4.27Å; F17-R360 HydrophobicContact CZ-CB 3.74Å; F17-R360 HydrophobicContact CZ-CG 3.88Å
18G98.6Very high98.3Very high0 Ų028.7 Ų28.70%015%0.154CC..EExtended strand (participates in β ladder)trans-9014717500000110.8E221 S254 D255G18-E221 WeakPolarHBondContact CA-OE2 3.46Å; G18-S254 CarbonylContact O-C 3.56Å; G18-S254 WeakPolarHBondContact O-CA 3.19Å; G18-S254 WeakPolarHBondContact O-CB 3.45Å; G18-D255 PolarHBondContact N-O 3.4Å; G18-D255 PolarHBondContact O-N 2.75Å
19T98.5Very high98.3Very high39 Ų3927.5 Ų27.524%0.23915%0.149CC..EExtended strand (participates in β ladder)trans-76.5157.6173.3-161.20000110.4G21 G22 E221 H222T19-G21 PolarHBondContact O-N 2.69Å; T19-G22 WeakPolarHBondContact O-CA 3.49Å; T19-G22 PolarHBondContact O-N 3.22Å; T19-E221 HydrophobicContact CG2-CG 4.01Å; T19-E221 PolarHBondContact N-OE2 3Å; T19-H222 PolarHBondContact OG1-ND1 2.82Å
20Y98.6Very high98.3Very high121 Ų12127.5 Ų27.548%0.47515%0.149SC..THydrogen-bonded Turntrans-51.5123.5174.5-178-113000112.6G22 L148 V253Y20-G22 PolarHBondContact O-N 3.23Å; Y20-L148 HydrophobicContact CE2-CD2 3.97Å; Y20-V253 WeakPolarHBondContact CB-O 3.39Å; Y20-V253 HydrophobicContact CD2-CB 4.44Å; Y20-V253 HydrophobicContact CD2-CG1 3.47Å; Y20-V253 VanDerWaalsContact CD2-CG1 3.47Å; Y20-V253 HydrophobicContact CE2-CG1 4.27Å; Y20-V253 HydrophobicContact CG-CB 4.35Å; Y20-V253 HydrophobicContact CG-CG1 3.84Å; Y20-V253 PolarHBondContact N-O 3.18Å; Y20-V253 VanDerWaalsContact N-O 3.08Å
21G98.3Very high98.3Very high41 Ų4129.9 Ų29.942%0.42316%0.162SC..THydrogen-bonded Turntrans70.910.8-17600000115T19 S123T19-G21 PolarHBondContact O-N 2.69Å; G21-S123 PolarHBondContact N-OG 2.8Å
22G97.3Very high98.3Very high14 Ų1429.8 Ų29.814%0.14416%0.161CC..SBendtrans-83.8-150.5-17700000114.2T19 Y20 L24 K25T19-G22 WeakPolarHBondContact O-CA 3.49Å; T19-G22 PolarHBondContact O-N 3.22Å; Y20-G22 PolarHBondContact O-N 3.23Å; G22-L24 VanDerWaalsContact C-N 3.27Å; G22-L24 PolarHBondContact O-N 3.32Å; G22-K25 WeakPolarHBondContact O-CG 3.45Å; G22-K25 PolarHBondContact O-N 2.68Å
23V96.8Very high98.3Very high64 Ų6429.8 Ų29.839%0.38816%0.161SC..THydrogen-bonded Turntrans-69.3-21.6-171-62.30000114.3V208 M217 E221V23-V208 HydrophobicContact CB-CB 4.43Å; V23-V208 HydrophobicContact CB-CG1 4.29Å; V23-V208 HydrophobicContact CG2-CG1 4.26Å; V23-M217 HydrophobicContact CG2-CE 3.76Å; V23-M217 HydrophobicContact CG2-CG 4.48Å; V23-M217 HydrophobicContact CG2-SD 3.34Å; V23-M217 WeakPolarHBondContact CG2-SD 3.01Å; V23-E221 PolarHBondContact N-OE1 2.98Å; V23-E221 PolarHBondContact N-OE2 3.08Å
24L98Very high98.3Very high0 Ų030.1 Ų30.10%016%0.163CC..THydrogen-bonded Turntrans-95-2.5-179.1-62.5-174.1000114.4P16 G22 D26 H27 L32 I206 V208 M217 D255P16-L24 WeakPolarHBondContact O-CD1 3.41Å; G22-L24 VanDerWaalsContact C-N 3.27Å; G22-L24 PolarHBondContact O-N 3.32Å; L24-D26 PolarHBondContact O-N 2.98Å; L24-H27 WeakPolarHBondContact O-CB 3.39Å; L24-H27 PolarHBondContact O-N 2.82Å; L24-H27 PolarHBondContact O-ND1 2.79Å; L24-L32 HydrophobicContact CD1-CD2 4.07Å; L24-L32 HydrophobicContact CD2-CD2 4.39Å; L24-I206 HydrophobicContact CD1-CD1 4.46Å; L24-I206 HydrophobicContact CD2-CB 4.48Å; L24-I206 HydrophobicContact CD2-CD1 4.09Å; L24-I206 HydrophobicContact CD2-CG2 4.1Å; L24-V208 HydrophobicContact CD2-CG1 3.86Å; L24-M217 HydrophobicContact CD1-SD 4.26Å; L24-M217 HydrophobicContact CD2-SD 3.92Å; L24-M217 HydrophobicContact CG-SD 3.99Å; L24-D255 HydrophobicContact CB-CB 4.13Å
25K97.9Very high98.3Very high99 Ų9932.9 Ų32.943%0.4318%0.176SC..THydrogen-bonded Turntrans-55.5-28.2-172.673.9-175-177.9-176.30115.5G22 H27 Q124G22-K25 WeakPolarHBondContact O-CG 3.45Å; G22-K25 PolarHBondContact O-N 2.68Å; K25-H27 VanDerWaalsContact C-N 3.3Å; K25-Q124 WeakPolarHBondContact O-CG 3.44Å; K25-Q124 PolarHBondContact O-NE2 3.4Å
26D96.3Very high98.3Very high103 Ų10332.9 Ų32.955%0.55118%0.176SC*.THydrogen-bonded Turntrans-85.7-0.6-179.2-67.6-17.7000112.6L24L24-D26 PolarHBondContact O-N 2.98Å
27H97.9Very high98.4Very high51 Ų5132.9 Ų32.924%0.23618%0.176CC..SBendtrans-99.6126.5174.8-60.382.3000109.7L24 K25 D31 L32 S121 Q124L24-H27 WeakPolarHBondContact O-CB 3.39Å; L24-H27 PolarHBondContact O-N 2.82Å; L24-H27 PolarHBondContact O-ND1 2.79Å; K25-H27 VanDerWaalsContact C-N 3.3Å; H27-D31 HydrophobicContact CB-CB 4.3Å; H27-L32 HydrophobicContact CB-CD2 3.75Å; H27-L32 HydrophobicContact CB-CG 3.9Å; H27-S121 PolarHBondContact O-OG 2.91Å; H27-S121 VanDerWaalsContact O-OG 3.11Å; H27-Q124 VanDerWaalsContact C-NE2 3.25Å; H27-Q124 PolarHBondContact O-NE2 3.4Å
28S98.6Very high98.4Very high9 Ų937.5 Ų37.56%0.06320%0.196CC..  trans-68.3162.2172.168.30000110.8T30 D31 L32S28-T30 PolarHBondContact O-N 3.43Å; S28-T30 PolarHBondContact OG-N 2.97Å; S28-D31 WeakPolarHBondContact CB-OD2 3.36Å; S28-D31 PolarHBondContact N-OD2 3.13Å; S28-D31 PolarHBondContact O-N 3.13Å; S28-D31 PolarHBondContact OG-N 3.34Å; S28-D31 VanDerWaalsContact OG-N 3.12Å; S28-D31 PolarHBondContact OG-OD1 3.45Å; S28-D31 PolarHBondContact OG-OD2 2.51Å; S28-L32 WeakPolarHBondContact O-CG 3.37Å; S28-L32 PolarHBondContact O-N 3.45Å
29A98.8Very high98.4Very high2 Ų238.6 Ų38.62%0.01721%0.205CC..Hα-helixtrans-55.9-34.617000000111.2A33 I69 S119A29-A33 VanDerWaalsContact O-CB 3.22Å; A29-A33 WeakPolarHBondContact O-CB 3.49Å; A29-A33 PolarHBondContact O-N 3.48Å; A29-I69 HydrophobicContact CB-CD1 3.7Å; A29-S119 WeakPolarHBondContact CA-OG 3.39Å; A29-S119 WeakPolarHBondContact O-CB 3.4Å; A29-S119 PolarHBondContact O-OG 3.32Å
30T98.9Very high98.4Very high0 Ų036.7 Ų36.70%019%0.193CC..Hα-helixtrans-62-43.7174.2-49.30000112.5S28 A33 E34 D65 I69 H72 V73S28-T30 PolarHBondContact O-N 3.43Å; S28-T30 PolarHBondContact OG-N 2.97Å; T30-A33 PolarHBondContact O-N 3.38Å; T30-E34 WeakPolarHBondContact O-CB 3.42Å; T30-E34 PolarHBondContact O-N 3.39Å; T30-D65 PolarHBondContact OG1-OD2 3.42Å; T30-I69 HydrophobicContact CG2-CG1 4.46Å; T30-H72 HydrophobicContact CG2-CB 3.6Å; T30-V73 HydrophobicContact CG2-CG2 4.24Å
31D98.7Very high98.4Very high53 Ų5331.4 Ų31.428%0.28317%0.173SC..Hα-helixtrans-68.9-40.5-178.9-53.6-41.2000111.5H27 S28 E34 H35 R76H27-D31 HydrophobicContact CB-CB 4.3Å; S28-D31 WeakPolarHBondContact CB-OD2 3.36Å; S28-D31 PolarHBondContact N-OD2 3.13Å; S28-D31 PolarHBondContact O-N 3.13Å; S28-D31 PolarHBondContact OG-N 3.34Å; S28-D31 VanDerWaalsContact OG-N 3.12Å; S28-D31 PolarHBondContact OG-OD1 3.45Å; S28-D31 PolarHBondContact OG-OD2 2.51Å; D31-E34 PolarHBondContact O-N 2.95Å; D31-H35 PolarHBondContact O-N 3.38Å; D31-R76 IonicContact OD1-CZ 2.76Å; D31-R76 IonicContact OD1-NH1 3.64Å; D31-R76 PolarHBondContact OD1-NH1 3.15Å
32L98.9Very high98.4Very high1 Ų133.2 Ų33.21%0.00518%0.184CC..Hα-helixtrans-65.2-43.6176.4-63.7174.2000111.1L24 H27 S28 H35 A36 I206 D255 A257L24-L32 HydrophobicContact CD1-CD2 4.07Å; L24-L32 HydrophobicContact CD2-CD2 4.39Å; H27-L32 HydrophobicContact CB-CD2 3.75Å; H27-L32 HydrophobicContact CB-CG 3.9Å; S28-L32 WeakPolarHBondContact O-CG 3.37Å; S28-L32 PolarHBondContact O-N 3.45Å; L32-H35 PolarHBondContact O-N 3.35Å; L32-A36 PolarHBondContact O-N 3.45Å; L32-I206 HydrophobicContact CD2-CD1 3.78Å; L32-D255 HydrophobicContact CD1-CB 4.17Å; L32-A257 HydrophobicContact CB-CB 3.79Å; L32-A257 VanDerWaalsContact O-CB 3.29Å; L32-A257 WeakPolarHBondContact O-CB 3.37Å
33A98.9Very high98.5Very high0 Ų035.8 Ų35.80%020%0.204CC..Hα-helixtrans-60.7-46.817500000112A29 T30 H35 A36 S37 F56 V73A29-A33 VanDerWaalsContact O-CB 3.22Å; A29-A33 WeakPolarHBondContact O-CB 3.49Å; A29-A33 PolarHBondContact O-N 3.48Å; T30-A33 PolarHBondContact O-N 3.38Å; A33-H35 VanDerWaalsContact C-N 3.29Å; A33-H35 PolarHBondContact O-N 2.97Å; A33-A36 PolarHBondContact O-N 2.76Å; A33-S37 WeakPolarHBondContact O-CB 3.31Å; A33-S37 PolarHBondContact O-N 2.86Å; A33-S37 PolarHBondContact O-OG 2.95Å; A33-S37 VanDerWaalsContact O-OG 3.1Å; A33-F56 HydrophobicContact CB-CD1 3.88Å; A33-F56 HydrophobicContact CB-CE1 3.54Å; A33-F56 HydrophobicContact CB-CZ 4.24Å; A33-V73 HydrophobicContact CB-CG2 3.4Å
34E98.9Very high98.6Very high35 Ų3533.4 Ų33.416%0.16419%0.192CC..Hα-helixtrans-55-46.1175.5178-170.7166.700111.4T30 D31 S37 K38 R76T30-E34 WeakPolarHBondContact O-CB 3.42Å; T30-E34 PolarHBondContact O-N 3.39Å; D31-E34 PolarHBondContact O-N 2.95Å; E34-S37 PolarHBondContact O-N 2.82Å; E34-K38 HydrophobicContact CG-CD 4.19Å; E34-K38 WeakPolarHBondContact O-CG 3.2Å; E34-K38 PolarHBondContact O-N 2.93Å; E34-K38 WeakPolarHBondContact OE1-CE 3.33Å; E34-K38 IonicContact OE1-NZ 4Å; E34-K38 PolarHBondContact OE1-NZ 3.44Å; E34-R76 HydrophobicContact CG-CB 3.92Å; E34-R76 WeakPolarHBondContact OE2-CD 3.34Å; E34-R76 IonicContact OE2-CZ 3.72Å; E34-R76 IonicContact OE2-NE 2.73Å; E34-R76 IonicContact OE2-NH1 3.59Å; E34-R76 PolarHBondContact OE2-NH1 3.35Å
35H98.9Very high98.6Very high58 Ų5836.3 Ų36.327%0.26922%0.223SC..Hα-helixtrans-61.5-49.2179.4-172.884.6000112.3D31 L32 A33 S37 K38 A39 A204 P205 I206D31-H35 PolarHBondContact O-N 3.38Å; L32-H35 PolarHBondContact O-N 3.35Å; A33-H35 VanDerWaalsContact C-N 3.29Å; A33-H35 PolarHBondContact O-N 2.97Å; H35-S37 VanDerWaalsContact C-N 3.33Å; H35-S37 PolarHBondContact O-N 3.18Å; H35-K38 PolarHBondContact O-N 2.97Å; H35-A39 PolarHBondContact O-N 2.73Å; H35-A39 VanDerWaalsContact O-N 3.13Å; H35-A204 PolarHBondContact NE2-O 3.2Å; H35-P205 PolarHBondContact CE1-O 3.44Å; H35-P205 PolarHBondContact NE2-O 2.91Å; H35-I206 WeakPolarHBondContact CD2-CG1 3.5Å; H35-I206 VanDerWaalsContact NE2-CG1 3.34Å; H35-I206 WeakPolarHBondContact NE2-CG1 3.34Å
36A98.9Very high98.6Very high0 Ų031.9 Ų31.90%020%0.203CC..Hα-helixtrans-61.4-41.9177.200000111.9T15 L32 A33 A39 A40 A257 A259T15-A36 HydrophobicContact CG2-CB 4.12Å; L32-A36 PolarHBondContact O-N 3.45Å; A33-A36 PolarHBondContact O-N 2.76Å; A36-A39 PolarHBondContact O-N 3.25Å; A36-A40 WeakPolarHBondContact O-CB 3.31Å; A36-A40 PolarHBondContact O-N 3.46Å; A36-A257 HydrophobicContact CB-CB 4.05Å; A36-A259 HydrophobicContact CB-CB 3.97Å
37S98.9Very high98.7Very high0 Ų029 Ų290%019%0.194CC..Hα-helixtrans-64.1-46.8178.9-71.80000112.9A33 E34 H35 A39 A40 L41 F56 V73 C77A33-S37 WeakPolarHBondContact O-CB 3.31Å; A33-S37 PolarHBondContact O-N 2.86Å; A33-S37 PolarHBondContact O-OG 2.95Å; A33-S37 VanDerWaalsContact O-OG 3.1Å; E34-S37 PolarHBondContact O-N 2.82Å; H35-S37 VanDerWaalsContact C-N 3.33Å; H35-S37 PolarHBondContact O-N 3.18Å; S37-A39 VanDerWaalsContact C-N 3.27Å; S37-A39 PolarHBondContact O-N 3.36Å; S37-A40 PolarHBondContact O-N 3.46Å; S37-L41 WeakPolarHBondContact O-CB 3.18Å; S37-L41 WeakPolarHBondContact O-CG 3.21Å; S37-L41 PolarHBondContact O-N 3.17Å; S37-F56 WeakPolarHBondContact OG-CZ 3.33Å; S37-V73 WeakPolarHBondContact OG-CG1 3.25Å; S37-C77 WeakPolarHBondContact CB-SG 3.38Å
38K98.9Very high98.8Very high97 Ų9728 Ų2842%0.42219%0.192SC..Hα-helixtrans-58.1-43.1175.2-77.3176.7173171.40111.1E34 H35 A42 R76E34-K38 HydrophobicContact CG-CD 4.19Å; E34-K38 WeakPolarHBondContact O-CG 3.2Å; E34-K38 PolarHBondContact O-N 2.93Å; E34-K38 WeakPolarHBondContact OE1-CE 3.33Å; E34-K38 IonicContact OE1-NZ 4Å; E34-K38 PolarHBondContact OE1-NZ 3.44Å; H35-K38 PolarHBondContact O-N 2.97Å; K38-A42 VanDerWaalsContact O-CB 3.27Å; K38-A42 WeakPolarHBondContact O-CB 3.34Å; K38-A42 PolarHBondContact O-N 3.13Å; K38-R76 WeakPolarHBondContact CE-O 3.16Å; K38-R76 PolarHBondContact NZ-O 3.14Å
39A98.9Very high98.8Very high23 Ų2333.7 Ų33.719%0.1922%0.218CC..Hα-helixtrans-65.1-41.6176.900000112.6K13 H35 A36 S37 A43 A204K13-A39 HydrophobicContact CB-CB 4.09Å; K13-A39 HydrophobicContact CG-CB 4.18Å; H35-A39 PolarHBondContact O-N 2.73Å; H35-A39 VanDerWaalsContact O-N 3.13Å; A36-A39 PolarHBondContact O-N 3.25Å; S37-A39 VanDerWaalsContact C-N 3.27Å; S37-A39 PolarHBondContact O-N 3.36Å; A39-A43 WeakPolarHBondContact O-CB 3.31Å; A39-A43 PolarHBondContact O-N 3.4Å; A39-A204 HydrophobicContact CB-CB 3.38Å
40A98.9Very high98.8Very high0 Ų035.5 Ų35.50%023%0.227CC..Hα-helixtrans-66.1-48.6178.700000112S11 K13 A36 S37 A42 A43 G44 A259 V261S11-A40 WeakPolarHBondContact CB-O 3.23Å; S11-A40 PolarHBondContact OG-O 2.66Å; K13-A40 HydrophobicContact CB-CB 4.17Å; K13-A40 HydrophobicContact CG-CB 4.22Å; A36-A40 WeakPolarHBondContact O-CB 3.31Å; A36-A40 PolarHBondContact O-N 3.46Å; S37-A40 PolarHBondContact O-N 3.46Å; A40-A42 VanDerWaalsContact C-N 3.34Å; A40-A42 PolarHBondContact O-N 3.42Å; A40-A43 PolarHBondContact O-N 3.32Å; A40-G44 PolarHBondContact O-N 2.88Å; A40-A259 HydrophobicContact CB-CB 3.89Å; A40-V261 HydrophobicContact CB-CG2 4.21Å
41L98.9Very high98.8Very high9 Ų935.5 Ų35.55%0.04723%0.227CC..Hα-helixtrans-56.9-47.7176.3-70.1168.7000111.2S37 G44 G45 V46 P48 V51 C77 V261S37-L41 WeakPolarHBondContact O-CB 3.18Å; S37-L41 WeakPolarHBondContact O-CG 3.21Å; S37-L41 PolarHBondContact O-N 3.17Å; L41-G44 PolarHBondContact O-N 3.13Å; L41-G45 PolarHBondContact O-N 2.88Å; L41-G45 VanDerWaalsContact O-N 3.16Å; L41-V46 HydrophobicContact CD2-CB 4Å; L41-V46 HydrophobicContact CD2-CG1 3.89Å; L41-V46 PolarHBondContact O-N 3.33Å; L41-P48 HydrophobicContact CD1-CG 4.48Å; L41-V51 HydrophobicContact CD2-CG2 4.02Å; L41-C77 HydrophobicContact CD1-CB 3.92Å; L41-V261 HydrophobicContact CD2-CG2 4.09Å
42A98.8Very high98.7Very high79 Ų7935.9 Ų35.965%0.65323%0.229SC*.Hα-helixtrans-63.5-46.6177.800000112.6K38 A40 G44 G45K38-A42 VanDerWaalsContact O-CB 3.27Å; K38-A42 WeakPolarHBondContact O-CB 3.34Å; K38-A42 PolarHBondContact O-N 3.13Å; A40-A42 VanDerWaalsContact C-N 3.34Å; A40-A42 PolarHBondContact O-N 3.42Å; A42-G44 VanDerWaalsContact C-N 3.29Å; A42-G44 PolarHBondContact O-N 3.49Å; A42-G45 PolarHBondContact O-N 3.11Å
43A98.6Very high98.7Very high69 Ų6936 Ų3657%0.5723%0.23SC*.Hα-helixtrans-65.2-32-179.200000113K13 A39 A40K13-A43 HydrophobicContact CD-CB 4.05Å; K13-A43 HydrophobicContact CG-CB 4.06Å; A39-A43 WeakPolarHBondContact O-CB 3.31Å; A39-A43 PolarHBondContact O-N 3.4Å; A40-A43 PolarHBondContact O-N 3.32Å
44G98.2Very high98.7Very high13 Ų1336.1 Ų36.113%0.13423%0.231CC..THydrogen-bonded Turntrans-85.6-4.9176.300000114.9A40 L41 A42 V46A40-G44 PolarHBondContact O-N 2.88Å; L41-G44 PolarHBondContact O-N 3.13Å; A42-G44 VanDerWaalsContact C-N 3.29Å; A42-G44 PolarHBondContact O-N 3.49Å; G44-V46 PolarHBondContact O-N 3.3Å
45G98.3Very high98.8Very high62 Ų6234.4 Ų34.464%0.63922%0.223SC*.THydrogen-bonded Turntrans59.328.2-170.200000113.1L41 A42L41-G45 PolarHBondContact O-N 2.88Å; L41-G45 VanDerWaalsContact O-N 3.16Å; A42-G45 PolarHBondContact O-N 3.11Å
46V98.7Very high98.8Very high5 Ų531.7 Ų31.73%0.0321%0.21CC..  trans-91.4111.6-176.9-178.60000108.6V10 L41 G44 L50 V113 V261 L273V10-V46 HydrophobicContact CG2-CG2 3.92Å; L41-V46 HydrophobicContact CD2-CB 4Å; L41-V46 HydrophobicContact CD2-CG1 3.89Å; L41-V46 PolarHBondContact O-N 3.33Å; G44-V46 PolarHBondContact O-N 3.3Å; V46-L50 HydrophobicContact CG1-CB 4.37Å; V46-L50 HydrophobicContact CG1-CD1 4.45Å; V46-V113 HydrophobicContact CG1-CG1 4.15Å; V46-V261 HydrophobicContact CG1-CG1 4.24Å; V46-V261 HydrophobicContact CG2-CG1 4.11Å; V46-L273 HydrophobicContact CG2-CD1 4.47Å; V46-L273 HydrophobicContact CG2-CD2 4.03Å
47A98.6Very high98.8Very high42 Ų4231.7 Ų31.735%0.34721%0.21SC..  trans-65.1135.917300000109.9E49 L50A47-E49 WeakPolarHBondContact CB-OE2 3.32Å; A47-E49 PolarHBondContact O-N 3.37Å; A47-E49 VanDerWaalsContact O-N 3.08Å; A47-L50 HydrophobicContact CB-CD1 4.4Å; A47-L50 HydrophobicContact CB-CG 4.2Å; A47-L50 WeakPolarHBondContact O-CB 3.37Å; A47-L50 PolarHBondContact O-N 3.41Å
48P98.7Very high98.7Very high32 Ų3232 Ų3221%0.20821%0.211CC..G310 helixtrans-55.1-28.1-178.8-26.534.6000114.2L41 L50 V51 C77 G78 V79 P80L41-P48 HydrophobicContact CD1-CG 4.48Å; P48-L50 PolarHBondContact O-N 3.17Å; P48-V51 WeakPolarHBondContact O-CB 3.18Å; P48-V51 PolarHBondContact O-N 3.03Å; P48-C77 VanDerWaalsContact CG-O 3.26Å; P48-C77 WeakPolarHBondContact CG-O 3.24Å; P48-G78 VanDerWaalsContact CB-C 3.47Å; P48-G78 WeakPolarHBondContact CB-O 2.92Å; P48-V79 HydrophobicContact CB-CG2 4.35Å; P48-P80 WeakPolarHBondContact O-CD 3.37Å
49E98.7Very high98.7Very high128 Ų12828.5 Ų28.560%0.59820%0.198SC*.G310 helixtrans-66.7-19.8178.1-6177.5-171.500113.6A47 V51 P80A47-E49 WeakPolarHBondContact CB-OE2 3.32Å; A47-E49 PolarHBondContact O-N 3.37Å; A47-E49 VanDerWaalsContact O-N 3.08Å; E49-V51 VanDerWaalsContact C-N 3.33Å; E49-P80 HydrophobicContact CB-CG 4.38Å; E49-P80 HydrophobicContact CG-CG 4.34Å
50L98.6Very high98.7Very high40 Ų4028.3 Ų28.321%0.20919%0.194CC..G310 helixtrans-77.3-22.3177-57.5-178.2000112.2V46 A47 P48 N52 V113 H271V46-L50 HydrophobicContact CG1-CB 4.37Å; V46-L50 HydrophobicContact CG1-CD1 4.45Å; A47-L50 HydrophobicContact CB-CD1 4.4Å; A47-L50 HydrophobicContact CB-CG 4.2Å; A47-L50 WeakPolarHBondContact O-CB 3.37Å; A47-L50 PolarHBondContact O-N 3.41Å; P48-L50 PolarHBondContact O-N 3.17Å; L50-N52 PolarHBondContact O-N 3.32Å; L50-N52 PolarHBondContact O-ND2 2.84Å; L50-V113 HydrophobicContact CB-CG2 4.34Å; L50-V113 WeakPolarHBondContact O-CB 3.3Å; L50-H271 HydrophobicContact CD1-CB 3.91Å
51V98.9Very high98.6Very high0 Ų034.5 Ų34.50%022%0.223CC..  trans-70.2126.2-175.7179.30000110.3L41 P48 E49 S53 V54 V79 V83 V113 L115L41-V51 HydrophobicContact CD2-CG2 4.02Å; P48-V51 WeakPolarHBondContact O-CB 3.18Å; P48-V51 PolarHBondContact O-N 3.03Å; E49-V51 VanDerWaalsContact C-N 3.33Å; V51-S53 WeakPolarHBondContact CG1-O 3.3Å; V51-V54 HydrophobicContact CG1-CG2 4.01Å; V51-V79 HydrophobicContact CB-CG1 4.04Å; V51-V79 HydrophobicContact CB-CG2 4.19Å; V51-V79 HydrophobicContact CG1-CG1 4.07Å; V51-V79 HydrophobicContact CG1-CG2 4.3Å; V51-V79 HydrophobicContact CG2-CG2 4.33Å; V51-V83 WeakPolarHBondContact O-CG2 3.36Å; V51-V113 HydrophobicContact CG2-CG1 4.44Å; V51-L115 HydrophobicContact CG1-CB 3.98Å
52N98.6Very high98.6Very high60 Ų6034.5 Ų34.532%0.32122%0.224SC..  trans-100.6-18.5178.8-46.9125.3000113.3L50 V83 P84 E112 V113L50-N52 PolarHBondContact O-N 3.32Å; L50-N52 PolarHBondContact O-ND2 2.84Å; N52-V83 WeakPolarHBondContact O-CG1 3.36Å; N52-P84 WeakPolarHBondContact O-CD 3.41Å; N52-E112 WeakPolarHBondContact OD1-CA 3.12Å; N52-E112 WeakPolarHBondContact OD1-CB 3.4Å; N52-E112 PolarHBondContact OD1-N 3.32Å; N52-V113 PolarHBondContact N-O 2.92Å; N52-V113 PolarHBondContact OD1-N 2.76Å
53S98.9Very high98.6Very high4 Ų432 Ų323%0.02820%0.201CC..EExtended strand (participates in β ladder)trans-154.9146.4-179.9178.60000111V51 E105 S111 V114 L115V51-S53 WeakPolarHBondContact CG1-O 3.3Å; S53-E105 WeakPolarHBondContact CB-OE2 3.47Å; S53-E105 PolarHBondContact OG-OE2 2.93Å; S53-S111 WeakPolarHBondContact CB-OG 3.44Å; S53-V114 WeakPolarHBondContact O-CA 3.45Å; S53-V114 WeakPolarHBondContact O-CG1 3.18Å; S53-L115 PolarHBondContact O-N 3.02Å
54V98.9Very high98.5Very high2 Ų234 Ų341%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-121.4118.3176.5-178.90000109.1V51 F56 A70 V79 V83 P84 A85 L86 L115V51-V54 HydrophobicContact CG1-CG2 4.01Å; V54-F56 HydrophobicContact CG1-CD2 3.88Å; V54-F56 HydrophobicContact CG1-CE2 4.11Å; V54-A70 WeakPolarHBondContact CG1-O 3.12Å; V54-V79 HydrophobicContact CG2-CG1 4.16Å; V54-V79 HydrophobicContact CG2-CG2 4.3Å; V54-V83 HydrophobicContact CG2-CG1 4.42Å; V54-P84 PolarHBondContact N-O 2.65Å; V54-A85 HydrophobicContact CB-CB 4.01Å; V54-A85 CarbonylContact O-C 3.6Å; V54-A85 WeakPolarHBondContact O-CA 3.44Å; V54-L86 PolarHBondContact O-N 3.27Å; V54-L115 WeakPolarHBondContact CA-O 3.46Å; V54-L115 HydrophobicContact CG1-CD2 4.19Å; V54-L115 HydrophobicContact CG1-CG 4.46Å; V54-L115 HydrophobicContact CG2-CB 4.33Å; V54-L115 HydrophobicContact CG2-CD2 4.38Å
55I98.9Very high98.5Very high0 Ų035.1 Ų35.10%022%0.221CC..EExtended strand (participates in β ladder)trans-126.5120.4-177.1-48.5-178.8000109.8L86 V88 S98 N101 V114 L115 C116 G117I55-L86 CarbonylContact C-O 3.49Å; I55-L86 VanDerWaalsContact CA-O 3.31Å; I55-L86 WeakPolarHBondContact CA-O 3.28Å; I55-L86 HydrophobicContact CG2-CB 4.45Å; I55-L86 HydrophobicContact CG2-CD2 4.44Å; I55-V88 HydrophobicContact CG2-CG1 4.01Å; I55-V88 HydrophobicContact CG2-CG2 4.32Å; I55-S98 WeakPolarHBondContact O-CB 3.37Å; I55-N101 HydrophobicContact CD1-CB 3.72Å; I55-N101 HydrophobicContact CG2-CB 4.23Å; I55-V114 HydrophobicContact CD1-CG1 4.05Å; I55-V114 HydrophobicContact CG1-CG1 4.03Å; I55-L115 PolarHBondContact N-O 2.58Å; I55-C116 CarbonylContact O-C 3.58Å; I55-C116 VanDerWaalsContact O-CA 3.3Å; I55-C116 WeakPolarHBondContact O-CA 3.47Å; I55-G117 PolarHBondContact O-N 3.06Å
56F98.9Very high98.5Very high0 Ų032.3 Ų32.30%019%0.191CC..EExtended strand (participates in β ladder)trans-125.7130.5-178.6-96-97.7000113.1A33 S37 V54 A70 V73 L86 T87 V88 L115 G117 A259A33-F56 HydrophobicContact CB-CD1 3.88Å; A33-F56 HydrophobicContact CB-CE1 3.54Å; A33-F56 HydrophobicContact CB-CZ 4.24Å; S37-F56 WeakPolarHBondContact OG-CZ 3.33Å; V54-F56 HydrophobicContact CG1-CD2 3.88Å; V54-F56 HydrophobicContact CG1-CE2 4.11Å; F56-A70 HydrophobicContact CB-CB 4.03Å; F56-V73 HydrophobicContact CD2-CG1 4.33Å; F56-V73 HydrophobicContact CE2-CG1 3.75Å; F56-V73 HydrophobicContact CZ-CG1 3.99Å; F56-L86 PolarHBondContact N-O 2.84Å; F56-T87 CarbonylContact O-C 3.58Å; F56-T87 VanDerWaalsContact O-CA 3.28Å; F56-T87 WeakPolarHBondContact O-CA 3.19Å; F56-V88 PolarHBondContact O-N 2.68Å; F56-L115 HydrophobicContact CE2-CD2 4.39Å; F56-L115 HydrophobicContact CE2-CG 4.14Å; F56-G117 WeakPolarHBondContact CA-O 3.26Å; F56-A259 HydrophobicContact CZ-CB 4.37Å
57G98.9Very high98.5Very high0 Ų035.6 Ų35.60%021%0.213CC..EExtended strand (participates in β ladder)trans-76.3123167.400000111.9V88 G117 G118 S119G57-V88 WeakPolarHBondContact CA-O 3.48Å; G57-G117 PolarHBondContact N-O 2.85Å; G57-G118 CarbonylContact O-C 3.5Å; G57-G118 VanDerWaalsContact O-CA 3.28Å; G57-G118 WeakPolarHBondContact O-CA 3.28Å; G57-S119 PolarHBondContact O-N 3.26Å
58N98.9Very high98.5Very high6 Ų640.5 Ų40.53%0.03222%0.224CC..  trans-146.2132.6169.9175.5-110.1000109.4M60 I69 T87 V88 S119 E120N58-M60 PolarHBondContact ND2-O 2.95Å; N58-M60 PolarHBondContact OD1-O 3.2Å; N58-I69 HydrophobicContact CB-CD1 4.15Å; N58-I69 HydrophobicContact CB-CG2 4.2Å; N58-T87 HydrophobicContact CB-CG2 4.02Å; N58-V88 PolarHBondContact N-O 3.4Å; N58-V88 VanDerWaalsContact N-O 3.1Å; N58-S119 PolarHBondContact ND2-O 2.91Å; N58-E120 PolarHBondContact ND2-OE1 3.45Å
59V98.7Very high98.5Very high24 Ų2439 Ų3915%0.14521%0.214CC..  trans-101.4-53.1-172.6-1750000111.1N89 L91 E120 L354V59-N89 PolarHBondContact O-ND2 3.13Å; V59-L91 HydrophobicContact CG1-CB 4.38Å; V59-L91 HydrophobicContact CG1-CG 4.1Å; V59-L91 VanDerWaalsContact CG2-C 3.49Å; V59-L91 WeakPolarHBondContact CG2-O 3.25Å; V59-E120 WeakPolarHBondContact CB-OE2 3.41Å; V59-E120 WeakPolarHBondContact CG2-OE2 3.28Å; V59-E120 PolarHBondContact N-OE1 3.08Å; V59-E120 PolarHBondContact N-OE2 3.44Å; V59-L354 HydrophobicContact CB-CB 4.1Å; V59-L354 HydrophobicContact CB-CD1 4.27Å; V59-L354 HydrophobicContact CG1-CD1 4.09Å; V59-L354 HydrophobicContact CG2-CB 3.8Å
60M97.1Very high98.5Very high20 Ų2033 Ų3310%0.09919%0.186CC..SBendtrans-100.1120.3-178.9-63.7-160.8178.700109.6N58 S62 E120 A125 L148 L354N58-M60 PolarHBondContact ND2-O 2.95Å; N58-M60 PolarHBondContact OD1-O 3.2Å; M60-S62 VanDerWaalsContact C-N 3.29Å; M60-S62 PolarHBondContact O-N 2.9Å; M60-E120 PolarHBondContact N-OE1 2.97Å; M60-A125 HydrophobicContact SD-CB 4.42Å; M60-L148 HydrophobicContact CE-CD1 3.64Å; M60-L148 HydrophobicContact SD-CB 4.17Å; M60-L148 HydrophobicContact SD-CD1 3.75Å; M60-L354 HydrophobicContact CE-CD1 3.86Å; M60-L354 HydrophobicContact CG-CD1 4.37Å
61Q98.3Very high98.5Very high130 Ų13034.9 Ų34.961%0.60719%0.19SC*.  trans-74.686.5172.3-69.2-178.4-12.500109.4A66Q61-A66 HydrophobicContact CB-CB 3.77Å; Q61-A66 HydrophobicContact CG-CB 4.06Å
62S98.4Very high98.5Very high9 Ų937.4 Ų37.46%0.06320%0.202CC..  trans-100.33.2-170.357.30000115.2M60 S121 Q124M60-S62 VanDerWaalsContact C-N 3.29Å; M60-S62 PolarHBondContact O-N 2.9Å; S62-S121 WeakPolarHBondContact CB-O 3.48Å; S62-S121 PolarHBondContact OG-O 3.43Å; S62-Q124 WeakPolarHBondContact O-CB 3.38Å
63S98.1Very high98.5Very high26 Ų2634.6 Ų34.618%0.18219%0.187CC..SBendtrans-133.9161.8175.467.90000111.6D65 A66S63-D65 WeakPolarHBondContact CB-OD1 3.44Å; S63-D65 PolarHBondContact O-N 2.88Å; S63-D65 PolarHBondContact OG-OD1 3.03Å; S63-A66 VanDerWaalsContact O-CB 3.24Å; S63-A66 WeakPolarHBondContact O-CB 3.31Å; S63-A66 PolarHBondContact O-N 3.06Å; S63-A66 VanDerWaalsContact O-N 3.13Å; S63-A66 PolarHBondContact OG-N 2.89Å
64A97.9Very high98.5Very high112 Ų11234.6 Ų34.693%0.92619%0.187SC*.THydrogen-bonded Turntrans-61.9-26.7178.300000113.1
65D97.9Very high98.5Very high35 Ų3537.8 Ų37.819%0.18720%0.204CC..THydrogen-bonded Turntrans-98.64178.675.2-33.4000113.8T30 S63 P67 Y68 H72 R76T30-D65 PolarHBondContact OG1-OD2 3.42Å; S63-D65 WeakPolarHBondContact CB-OD1 3.44Å; S63-D65 PolarHBondContact O-N 2.88Å; S63-D65 PolarHBondContact OG-OD1 3.03Å; D65-P67 VanDerWaalsContact C-N 3.33Å; D65-Y68 PolarHBondContact O-N 2.88Å; D65-H72 IonicContact OD2-CE1 2.76Å; D65-H72 IonicContact OD2-ND1 3.69Å; D65-H72 PolarHBondContact OD2-ND1 2.83Å; D65-H72 VanDerWaalsContact OD2-ND1 3.13Å; D65-R76 IonicContact OD2-NH2 3.47Å
66A97.8Very high98.5Very high3 Ų342 Ų423%0.02522%0.22CC..G310 helixtrans-53.2-36.5-175.500000115.1Q61 S63 Y68 I69Q61-A66 HydrophobicContact CB-CB 3.77Å; Q61-A66 HydrophobicContact CG-CB 4.06Å; S63-A66 VanDerWaalsContact O-CB 3.24Å; S63-A66 WeakPolarHBondContact O-CB 3.31Å; S63-A66 PolarHBondContact O-N 3.06Å; S63-A66 VanDerWaalsContact O-N 3.13Å; S63-A66 PolarHBondContact OG-N 2.89Å; A66-Y68 PolarHBondContact O-N 3.28Å; A66-I69 WeakPolarHBondContact O-CG2 3.46Å; A66-I69 PolarHBondContact O-N 2.82Å
67P98.3Very high98.5Very high75 Ų7542.6 Ų42.649%0.48722%0.224SC..G310 helixtrans-59.4-16.7174.4-26.236.5000114.8D65D65-P67 VanDerWaalsContact C-N 3.33Å
68Y98.7Very high98.5Very high144 Ų14444.6 Ų44.657%0.56524%0.244SC*.G310 helixtrans-110.69-177.5-55.8-81.2000113.3D65 A66 A70 R71 H72D65-Y68 PolarHBondContact O-N 2.88Å; A66-Y68 PolarHBondContact O-N 3.28Å; Y68-A70 PolarHBondContact O-N 2.99Å; Y68-R71 PolarHBondContact O-N 2.88Å; Y68-H72 PolarHBondContact O-N 3.39Å
69I98.6Very high98.5Very high1 Ų144.6 Ų44.61%0.00525%0.245CC..Hα-helixtrans-48-55.3-170.6-176.2170000113.3A29 T30 N58 A66 R71 H72 V73 T87A29-I69 HydrophobicContact CB-CD1 3.7Å; T30-I69 HydrophobicContact CG2-CG1 4.46Å; N58-I69 HydrophobicContact CB-CD1 4.15Å; N58-I69 HydrophobicContact CB-CG2 4.2Å; A66-I69 WeakPolarHBondContact O-CG2 3.46Å; A66-I69 PolarHBondContact O-N 2.82Å; I69-R71 VanDerWaalsContact C-N 3.3Å; I69-R71 PolarHBondContact O-N 2.95Å; I69-H72 PolarHBondContact O-N 2.89Å; I69-V73 HydrophobicContact CG1-CG2 4.34Å; I69-V73 WeakPolarHBondContact O-CB 3.3Å; I69-V73 WeakPolarHBondContact O-CG2 3.47Å; I69-V73 PolarHBondContact O-N 3.41Å; I69-T87 HydrophobicContact CG2-CG2 3.58Å; I69-T87 WeakPolarHBondContact CG2-OG1 3.36Å
70A98.8Very high98.5Very high1 Ų145.6 Ų45.61%0.00825%0.251CS..Hα-helixtrans-61.9-39.5-177.800000112.1V54 F56 Y68 G74 A85 L86 T87V54-A70 WeakPolarHBondContact CG1-O 3.12Å; F56-A70 HydrophobicContact CB-CB 4.03Å; Y68-A70 PolarHBondContact O-N 2.99Å; A70-G74 PolarHBondContact O-N 3.3Å; A70-A85 HydrophobicContact CB-CB 3.99Å; A70-L86 VanDerWaalsContact CB-C 3.49Å; A70-L86 VanDerWaalsContact CB-O 3.25Å; A70-L86 WeakPolarHBondContact CB-O 3.48Å; A70-T87 WeakPolarHBondContact CB-OG1 3.35Å; A70-T87 PolarHBondContact N-OG1 3.27Å
71R98.9Very high98.6Very high81 Ų8150.7 Ų50.731%0.30628%0.278SS..Hα-helixtrans-68.7-44.7179.7-178.656.6175.4176.4-1.5111.6Y68 I69 G74 L75 I81 V83 A85Y68-R71 PolarHBondContact O-N 2.88Å; I69-R71 VanDerWaalsContact C-N 3.3Å; I69-R71 PolarHBondContact O-N 2.95Å; R71-G74 PolarHBondContact O-N 3.1Å; R71-L75 HydrophobicContact CG-CD1 4.17Å; R71-L75 VanDerWaalsContact O-CG 3.31Å; R71-L75 WeakPolarHBondContact O-CG 3.39Å; R71-L75 PolarHBondContact O-N 3.03Å; R71-L75 VanDerWaalsContact O-N 3.08Å; R71-I81 VanDerWaalsContact CZ-O 3.31Å; R71-I81 PolarHBondContact NH1-O 2.79Å; R71-I81 PolarHBondContact NH2-O 3.01Å; R71-V83 PolarHBondContact NH1-O 3.21Å; R71-A85 VanDerWaalsContact CA-CB 3.5Å; R71-A85 HydrophobicContact CB-CB 3.99Å
72H98.9Very high98.6Very high53 Ų5350.1 Ų50.125%0.24529%0.286CS..Hα-helixtrans-63.2-43176.5-74.2-176.5000111.2T30 D65 Y68 I69 G74 L75 R76T30-H72 HydrophobicContact CG2-CB 3.6Å; D65-H72 IonicContact OD2-CE1 2.76Å; D65-H72 IonicContact OD2-ND1 3.69Å; D65-H72 PolarHBondContact OD2-ND1 2.83Å; D65-H72 VanDerWaalsContact OD2-ND1 3.13Å; Y68-H72 PolarHBondContact O-N 3.39Å; I69-H72 PolarHBondContact O-N 2.89Å; H72-G74 PolarHBondContact O-N 3.34Å; H72-L75 PolarHBondContact O-N 3.41Å; H72-R76 VanDerWaalsContact O-CB 3.3Å; H72-R76 WeakPolarHBondContact O-CB 3.35Å; H72-R76 WeakPolarHBondContact O-CG 3.3Å; H72-R76 PolarHBondContact O-N 3.31Å
73V98.9Very high98.6Very high0 Ų050.6 Ų50.60%029%0.288CS..Hα-helixtrans-57.4-51.4175.6170.20000111.1T30 A33 S37 F56 I69 L75 R76 C77T30-V73 HydrophobicContact CG2-CG2 4.24Å; A33-V73 HydrophobicContact CB-CG2 3.4Å; S37-V73 WeakPolarHBondContact OG-CG1 3.25Å; F56-V73 HydrophobicContact CD2-CG1 4.33Å; F56-V73 HydrophobicContact CE2-CG1 3.75Å; F56-V73 HydrophobicContact CZ-CG1 3.99Å; I69-V73 HydrophobicContact CG1-CG2 4.34Å; I69-V73 WeakPolarHBondContact O-CB 3.3Å; I69-V73 WeakPolarHBondContact O-CG2 3.47Å; I69-V73 PolarHBondContact O-N 3.41Å; V73-L75 PolarHBondContact O-N 3.49Å; V73-R76 PolarHBondContact O-N 3.4Å; V73-C77 WeakPolarHBondContact O-CB 3.29Å; V73-C77 PolarHBondContact O-N 2.83Å; V73-C77 PolarHBondContact O-SG 2.98Å
74G98.8Very high98.6Very high4 Ų453.2 Ų53.24%0.04130%0.304CS..Hα-helixtrans-54.7-53.717800000112.1A70 R71 H72 R76 C77 G78 V79A70-G74 PolarHBondContact O-N 3.3Å; R71-G74 PolarHBondContact O-N 3.1Å; H72-G74 PolarHBondContact O-N 3.34Å; G74-R76 PolarHBondContact O-N 2.77Å; G74-C77 PolarHBondContact O-N 3.13Å; G74-G78 PolarHBondContact O-N 3.23Å; G74-V79 VanDerWaalsContact O-CB 3.26Å; G74-V79 WeakPolarHBondContact O-CB 3.47Å; G74-V79 WeakPolarHBondContact O-CG2 3.14Å; G74-V79 PolarHBondContact O-N 3.34Å
75L98.9Very high98.7Very high69 Ų6949.7 Ų49.736%0.36128%0.275SS..Hα-helixtrans-61.2-42.7-179.5-67.3175000112.7R71 H72 V73 C77 G78 I81R71-L75 HydrophobicContact CG-CD1 4.17Å; R71-L75 VanDerWaalsContact O-CG 3.31Å; R71-L75 WeakPolarHBondContact O-CG 3.39Å; R71-L75 PolarHBondContact O-N 3.03Å; R71-L75 VanDerWaalsContact O-N 3.08Å; H72-L75 PolarHBondContact O-N 3.41Å; V73-L75 PolarHBondContact O-N 3.49Å; L75-C77 VanDerWaalsContact C-N 3.27Å; L75-C77 PolarHBondContact O-N 2.98Å; L75-G78 PolarHBondContact O-N 3.22Å; L75-G78 VanDerWaalsContact O-N 3.11Å; L75-I81 HydrophobicContact CD2-CG1 4Å
76R98.9Very high98.7Very high90 Ų9051.8 Ų51.834%0.3429%0.286SS..Hα-helixtrans-72.6-20180-66.9-177.5-165.8-178.52.6113.4D31 E34 K38 D65 H72 V73 G74 G78D31-R76 IonicContact OD1-CZ 2.76Å; D31-R76 IonicContact OD1-NH1 3.64Å; D31-R76 PolarHBondContact OD1-NH1 3.15Å; E34-R76 HydrophobicContact CG-CB 3.92Å; E34-R76 WeakPolarHBondContact OE2-CD 3.34Å; E34-R76 IonicContact OE2-CZ 3.72Å; E34-R76 IonicContact OE2-NE 2.73Å; E34-R76 IonicContact OE2-NH1 3.59Å; E34-R76 PolarHBondContact OE2-NH1 3.35Å; K38-R76 WeakPolarHBondContact CE-O 3.16Å; K38-R76 PolarHBondContact NZ-O 3.14Å; D65-R76 IonicContact OD2-NH2 3.47Å; H72-R76 VanDerWaalsContact O-CB 3.3Å; H72-R76 WeakPolarHBondContact O-CB 3.35Å; H72-R76 WeakPolarHBondContact O-CG 3.3Å; H72-R76 PolarHBondContact O-N 3.31Å; V73-R76 PolarHBondContact O-N 3.4Å; G74-R76 PolarHBondContact O-N 2.77Å; R76-G78 VanDerWaalsContact C-N 3.32Å
77C98.8Very high98.8Very high12 Ų1254.1 Ų54.18%0.08130%0.3CS..THydrogen-bonded Turntrans-86.6-0.8171.1-64.20000113.3S37 L41 P48 V73 G74 L75 V79S37-C77 WeakPolarHBondContact CB-SG 3.38Å; L41-C77 HydrophobicContact CD1-CB 3.92Å; P48-C77 VanDerWaalsContact CG-O 3.26Å; P48-C77 WeakPolarHBondContact CG-O 3.24Å; V73-C77 WeakPolarHBondContact O-CB 3.29Å; V73-C77 PolarHBondContact O-N 2.83Å; V73-C77 PolarHBondContact O-SG 2.98Å; G74-C77 PolarHBondContact O-N 3.13Å; L75-C77 VanDerWaalsContact C-N 3.27Å; L75-C77 PolarHBondContact O-N 2.98Å; C77-V79 HydrophobicContact CB-CG2 4.46Å
78G98.8Very high98.8Very high41 Ų4151.5 Ų51.542%0.42328%0.282SS..THydrogen-bonded Turntrans82.310.2-178.800000114.4P48 G74 L75 R76P48-G78 VanDerWaalsContact CB-C 3.47Å; P48-G78 WeakPolarHBondContact CB-O 2.92Å; G74-G78 PolarHBondContact O-N 3.23Å; L75-G78 PolarHBondContact O-N 3.22Å; L75-G78 VanDerWaalsContact O-N 3.11Å; R76-G78 VanDerWaalsContact C-N 3.32Å
79V98.8Very high98.8Very high7 Ų749 Ų494%0.04228%0.279CS..  trans-61.9133.3173.6179.90000108.7P48 V51 V54 G74 C77 V83P48-V79 HydrophobicContact CB-CG2 4.35Å; V51-V79 HydrophobicContact CB-CG1 4.04Å; V51-V79 HydrophobicContact CB-CG2 4.19Å; V51-V79 HydrophobicContact CG1-CG1 4.07Å; V51-V79 HydrophobicContact CG1-CG2 4.3Å; V51-V79 HydrophobicContact CG2-CG2 4.33Å; V54-V79 HydrophobicContact CG2-CG1 4.16Å; V54-V79 HydrophobicContact CG2-CG2 4.3Å; G74-V79 VanDerWaalsContact O-CB 3.26Å; G74-V79 WeakPolarHBondContact O-CB 3.47Å; G74-V79 WeakPolarHBondContact O-CG2 3.14Å; G74-V79 PolarHBondContact O-N 3.34Å; C77-V79 HydrophobicContact CB-CG2 4.46Å; V79-V83 HydrophobicContact CG1-CB 3.63Å; V79-V83 HydrophobicContact CG1-CG1 3.5Å; V79-V83 VanDerWaalsContact CG1-CG1 3.5Å; V79-V83 HydrophobicContact CG1-CG2 3.89Å
80P98.8Very high98.8Very high44 Ų4452.2 Ų52.229%0.28629%0.291SS..  trans-54.9143.1-174.3-28.434.3000114.1P48 E49 P82 V83P48-P80 WeakPolarHBondContact O-CD 3.37Å; E49-P80 HydrophobicContact CB-CG 4.38Å; E49-P80 HydrophobicContact CG-CG 4.34Å; P80-P82 VanDerWaalsContact C-CD 3.41Å; P80-P82 VanDerWaalsContact C-N 3.3Å; P80-P82 VanDerWaalsContact O-N 3.16Å; P80-V83 HydrophobicContact CB-CG2 4.15Å; P80-V83 HydrophobicContact CG-CG2 4.42Å; P80-V83 VanDerWaalsContact O-CB 3.31Å; P80-V83 WeakPolarHBondContact O-CB 3.22Å; P80-V83 PolarHBondContact O-N 2.61Å
81I98.6Very high98.8Very high127 Ų12755 Ų5565%0.65131%0.306SS*.THydrogen-bonded Turntrans-50.6-40.9-179.5-68.9163000113.4R71 L75 V83R71-I81 VanDerWaalsContact CZ-O 3.31Å; R71-I81 PolarHBondContact NH1-O 2.79Å; R71-I81 PolarHBondContact NH2-O 3.01Å; L75-I81 HydrophobicContact CD2-CG1 4Å; I81-V83 PolarHBondContact O-N 3.44Å
82P98.6Very high98.8Very high119 Ų11951.9 Ų51.977%0.77330%0.296SS*.THydrogen-bonded Turntrans-66.2-17.7179.4-2436.2000115.4P80P80-P82 VanDerWaalsContact C-CD 3.41Å; P80-P82 VanDerWaalsContact C-N 3.3Å; P80-P82 VanDerWaalsContact O-N 3.16Å
83V98.9Very high98.8Very high18 Ų1849.3 Ų49.311%0.10928%0.284CS..SBendtrans-70.9125.5-177.3170.30000110.5V51 N52 V54 R71 V79 P80 I81V51-V83 WeakPolarHBondContact O-CG2 3.36Å; N52-V83 WeakPolarHBondContact O-CG1 3.36Å; V54-V83 HydrophobicContact CG2-CG1 4.42Å; R71-V83 PolarHBondContact NH1-O 3.21Å; V79-V83 HydrophobicContact CG1-CB 3.63Å; V79-V83 HydrophobicContact CG1-CG1 3.5Å; V79-V83 VanDerWaalsContact CG1-CG1 3.5Å; V79-V83 HydrophobicContact CG1-CG2 3.89Å; P80-V83 HydrophobicContact CB-CG2 4.15Å; P80-V83 HydrophobicContact CG-CG2 4.42Å; P80-V83 VanDerWaalsContact O-CB 3.31Å; P80-V83 WeakPolarHBondContact O-CB 3.22Å; P80-V83 PolarHBondContact O-N 2.61Å; I81-V83 PolarHBondContact O-N 3.44Å
84P98.8Very high98.8Very high81 Ų8149.3 Ų49.353%0.52628%0.284SS..  trans-70.1162.3179.830.3-37000112.4N52 V54N52-P84 WeakPolarHBondContact O-CD 3.41Å; V54-P84 PolarHBondContact N-O 2.65Å
85A98.9Very high98.8Very high38 Ų3849.1 Ų49.131%0.31428%0.282SS..EExtended strand (participates in β ladder)trans-140.9142.3174.300000111.4V54 A70 R71V54-A85 HydrophobicContact CB-CB 4.01Å; V54-A85 CarbonylContact O-C 3.6Å; V54-A85 WeakPolarHBondContact O-CA 3.44Å; A70-A85 HydrophobicContact CB-CB 3.99Å; R71-A85 VanDerWaalsContact CA-CB 3.5Å; R71-A85 HydrophobicContact CB-CB 3.99Å
86L98.9Very high98.8Very high80 Ų8045.9 Ų45.942%0.41927%0.265SS..EExtended strand (participates in β ladder)trans-130.7130.5-176.8179.264000110.9V54 I55 F56 A70 V88V54-L86 PolarHBondContact O-N 3.27Å; I55-L86 CarbonylContact C-O 3.49Å; I55-L86 VanDerWaalsContact CA-O 3.31Å; I55-L86 WeakPolarHBondContact CA-O 3.28Å; I55-L86 HydrophobicContact CG2-CB 4.45Å; I55-L86 HydrophobicContact CG2-CD2 4.44Å; F56-L86 PolarHBondContact N-O 2.84Å; A70-L86 VanDerWaalsContact CB-C 3.49Å; A70-L86 VanDerWaalsContact CB-O 3.25Å; A70-L86 WeakPolarHBondContact CB-O 3.48Å; L86-V88 HydrophobicContact CD2-CG1 3.73Å; L86-V88 HydrophobicContact CG-CG1 3.81Å
87T98.9Very high98.8Very high52 Ų5242.1 Ų42.132%0.31925%0.251SS..EExtended strand (participates in β ladder)trans-99.7126.7166.9-59.30000109.5F56 N58 I69 A70F56-T87 CarbonylContact O-C 3.58Å; F56-T87 VanDerWaalsContact O-CA 3.28Å; F56-T87 WeakPolarHBondContact O-CA 3.19Å; N58-T87 HydrophobicContact CB-CG2 4.02Å; I69-T87 HydrophobicContact CG2-CG2 3.58Å; I69-T87 WeakPolarHBondContact CG2-OG1 3.36Å; A70-T87 WeakPolarHBondContact CB-OG1 3.35Å; A70-T87 PolarHBondContact N-OG1 3.27Å
88V98.8Very high98.8Very high19 Ų1941.6 Ų41.612%0.11525%0.247CC..EExtended strand (participates in β ladder)trans-114146.8179.5-59.80000111I55 F56 G57 N58 L86 Q97I55-V88 HydrophobicContact CG2-CG1 4.01Å; I55-V88 HydrophobicContact CG2-CG2 4.32Å; F56-V88 PolarHBondContact O-N 2.68Å; G57-V88 WeakPolarHBondContact CA-O 3.48Å; N58-V88 PolarHBondContact N-O 3.4Å; N58-V88 VanDerWaalsContact N-O 3.1Å; L86-V88 HydrophobicContact CD2-CG1 3.73Å; L86-V88 HydrophobicContact CG-CG1 3.81Å; V88-Q97 HydrophobicContact CG2-CB 4.46Å; V88-Q97 HydrophobicContact CG2-CG 4.24Å
89N98.8Very high98.8Very high92 Ų9239.7 Ų39.749%0.49223%0.228SC..  trans-130.8109174.6-176.6-6.2000109.8V59 L91V59-N89 PolarHBondContact O-ND2 3.13Å; N89-L91 PolarHBondContact OD1-N 2.91Å
90R98.8Very high98.8Very high68 Ų6839.5 Ų39.526%0.25723%0.226SC..  trans-125.146.3163.6-161.4-169.9-68.6-74.2-4.5109.6C92 G93 S94 Q97 I383R90-C92 PolarHBondContact O-N 3.47Å; R90-G93 WeakPolarHBondContact O-CA 3.18Å; R90-G93 PolarHBondContact O-N 2.92Å; R90-S94 PolarHBondContact N-OG 3.37Å; R90-Q97 HydrophobicContact CB-CB 4.24Å; R90-Q97 HydrophobicContact CB-CG 4.28Å; R90-I383 HydrophobicContact CG-CD1 3.85Å; R90-I383 HydrophobicContact CG-CG2 4.37Å; R90-I383 WeakPolarHBondContact O-CG2 3.35Å
91L98.5Very high98.8Very high61 Ų6139 Ų3932%0.31922%0.221SC..G310 helixtrans43-128.7-175.4-72.777.3000111.3V59 N89 G93 S94 I383V59-L91 HydrophobicContact CG1-CB 4.38Å; V59-L91 HydrophobicContact CG1-CG 4.1Å; V59-L91 VanDerWaalsContact CG2-C 3.49Å; V59-L91 WeakPolarHBondContact CG2-O 3.25Å; N89-L91 PolarHBondContact OD1-N 2.91Å; L91-G93 PolarHBondContact O-N 3.3Å; L91-S94 PolarHBondContact N-OG 3.36Å; L91-S94 WeakPolarHBondContact O-CB 3.28Å; L91-S94 PolarHBondContact O-N 3.36Å; L91-S94 PolarHBondContact O-OG 2.95Å; L91-I383 HydrophobicContact CB-CG2 3.81Å
92C98.1Very high98.8Very high14 Ų1433 Ų3310%0.09519%0.19CC..G310 helixtrans-55.6-20.7-178.8-52.60000114.2R90 H352 C382R90-C92 PolarHBondContact O-N 3.47Å; C92-H352 PolarHBondContact SG-NE2 3.45Å; C92-C382 WeakPolarHBondContact CB-O 3.34Å
93G98.7Very high98.8Very high0 Ų027.3 Ų27.30%015%0.153CC..G310 helixtrans-89.6-0.6178.300000114.6R90 L91 G95 F96 Q97R90-G93 WeakPolarHBondContact O-CA 3.18Å; R90-G93 PolarHBondContact O-N 2.92Å; L91-G93 PolarHBondContact O-N 3.3Å; G93-G95 VanDerWaalsContact C-N 3.33Å; G93-G95 PolarHBondContact O-N 3.43Å; G93-F96 PolarHBondContact O-N 3.1Å; G93-F96 VanDerWaalsContact O-N 3.16Å; G93-Q97 WeakPolarHBondContact O-CB 3.42Å; G93-Q97 PolarHBondContact O-N 2.88Å
94S98.9Very high98.8Very high0 Ų029.7 Ų29.70%016%0.164CC..Hα-helixtrans-61.6-37-168.6-550000113.7R90 L91 Q97 S98R90-S94 PolarHBondContact N-OG 3.37Å; L91-S94 PolarHBondContact N-OG 3.36Å; L91-S94 WeakPolarHBondContact O-CB 3.28Å; L91-S94 PolarHBondContact O-N 3.36Å; L91-S94 PolarHBondContact O-OG 2.95Å; S94-Q97 PolarHBondContact O-N 2.93Å; S94-S98 PolarHBondContact O-N 3.49Å
95G98.9Very high98.8Very high0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-62-44.8176.100000112.5G93 S98 G355G93-G95 VanDerWaalsContact C-N 3.33Å; G93-G95 PolarHBondContact O-N 3.43Å; G95-S98 PolarHBondContact O-OG 3.41Å; G95-G355 VanDerWaalsContact CA-O 3.23Å; G95-G355 WeakPolarHBondContact CA-O 3.38Å; G95-G355 PolarHBondContact N-O 3.42Å
96F98.9Very high98.8Very high0 Ų026.2 Ų26.20%013%0.134CC..Hα-helixtrans-65.5-41.4172-68.2-65.8000111.6G93 S98 I99 I100 G358 I361 T362 A381 I389 I391G93-F96 PolarHBondContact O-N 3.1Å; G93-F96 VanDerWaalsContact O-N 3.16Å; F96-S98 VanDerWaalsContact C-N 3.27Å; F96-S98 PolarHBondContact O-N 3.2Å; F96-I99 WeakPolarHBondContact O-CB 3.36Å; F96-I99 PolarHBondContact O-N 2.94Å; F96-I99 VanDerWaalsContact O-N 3.12Å; F96-I100 PolarHBondContact O-N 3.16Å; F96-G358 VanDerWaalsContact CE1-O 3.27Å; F96-G358 WeakPolarHBondContact CE1-O 3.45Å; F96-I361 HydrophobicContact CE1-CB 4.17Å; F96-I361 HydrophobicContact CE1-CG2 4.03Å; F96-I361 HydrophobicContact CE2-CD1 4.04Å; F96-I361 HydrophobicContact CZ-CB 3.65Å; F96-I361 HydrophobicContact CZ-CD1 3.86Å; F96-I361 HydrophobicContact CZ-CG1 4.34Å; F96-I361 HydrophobicContact CZ-CG2 3.58Å; F96-T362 WeakPolarHBondContact CD1-OG1 3.38Å; F96-T362 VanDerWaalsContact CE1-OG1 3.29Å; F96-T362 WeakPolarHBondContact CE1-OG1 3.3Å; F96-A381 HydrophobicContact CD2-CB 4.23Å; F96-A381 HydrophobicContact CE2-CB 3.85Å; F96-I389 HydrophobicContact CB-CD1 3.51Å; F96-I389 HydrophobicContact CB-CG1 3.84Å; F96-I389 HydrophobicContact CB-CG2 4.15Å; F96-I389 HydrophobicContact CD2-CG2 3.68Å; F96-I389 HydrophobicContact CE2-CG2 4.45Å; F96-I389 HydrophobicContact CG-CG2 4.25Å; F96-I391 HydrophobicContact CB-CD1 4.03Å; F96-I391 HydrophobicContact CB-CG1 4.42Å; F96-I391 HydrophobicContact CD1-CB 4.49Å; F96-I391 HydrophobicContact CD1-CD1 3.83Å; F96-I391 HydrophobicContact CD1-CG1 4.04Å; F96-I391 HydrophobicContact CG-CD1 4.42Å
97Q98.9Very high98.8Very high12 Ų1223.1 Ų23.16%0.05612%0.119CC..Hα-helixtrans-60.6-38.2-178-178.156.164.100111.8V88 R90 G93 S94 I99 I100 N101 I389V88-Q97 HydrophobicContact CG2-CB 4.46Å; V88-Q97 HydrophobicContact CG2-CG 4.24Å; R90-Q97 HydrophobicContact CB-CB 4.24Å; R90-Q97 HydrophobicContact CB-CG 4.28Å; G93-Q97 WeakPolarHBondContact O-CB 3.42Å; G93-Q97 PolarHBondContact O-N 2.88Å; S94-Q97 PolarHBondContact O-N 2.93Å; Q97-I99 VanDerWaalsContact C-N 3.3Å; Q97-I99 PolarHBondContact O-N 2.93Å; Q97-I100 PolarHBondContact O-N 2.93Å; Q97-N101 WeakPolarHBondContact CG-OD1 3.38Å; Q97-N101 VanDerWaalsContact NE2-CG 3.3Å; Q97-N101 PolarHBondContact NE2-ND2 3.1Å; Q97-N101 PolarHBondContact NE2-OD1 2.88Å; Q97-N101 PolarHBondContact O-N 2.95Å; Q97-N101 PolarHBondContact O-OD1 2.86Å; Q97-I389 HydrophobicContact CB-CD1 4.15Å
98S98.9Very high98.8Very high0 Ų026.1 Ų26.10%013%0.132CC..Hα-helixtrans-57.1-43.9175.2750000112.2I55 S94 G95 F96 N101 G102 G117I55-S98 WeakPolarHBondContact O-CB 3.37Å; S94-S98 PolarHBondContact O-N 3.49Å; G95-S98 PolarHBondContact O-OG 3.41Å; F96-S98 VanDerWaalsContact C-N 3.27Å; F96-S98 PolarHBondContact O-N 3.2Å; S98-N101 PolarHBondContact O-N 3.3Å; S98-G102 PolarHBondContact O-N 2.91Å; S98-G117 VanDerWaalsContact CB-O 3.28Å; S98-G117 WeakPolarHBondContact CB-O 3.46Å; S98-G117 PolarHBondContact OG-N 3.45Å; S98-G117 VanDerWaalsContact OG-N 3.13Å; S98-G117 PolarHBondContact OG-O 2.84Å
99I98.9Very high98.8Very high1 Ų132.5 Ų32.51%0.00516%0.158CC..Hα-helixtrans-67.1-40.2178.7-58.7170.9000110.4F96 Q97 G102 A103 C116 V260 I262 I279 T362 I391F96-I99 WeakPolarHBondContact O-CB 3.36Å; F96-I99 PolarHBondContact O-N 2.94Å; F96-I99 VanDerWaalsContact O-N 3.12Å; Q97-I99 VanDerWaalsContact C-N 3.3Å; Q97-I99 PolarHBondContact O-N 2.93Å; I99-G102 PolarHBondContact O-N 2.64Å; I99-A103 WeakPolarHBondContact O-CB 3.21Å; I99-A103 PolarHBondContact O-N 2.84Å; I99-C116 HydrophobicContact CB-CB 4.5Å; I99-C116 HydrophobicContact CG1-CB 3.82Å; I99-V260 HydrophobicContact CD1-CB 4.16Å; I99-V260 HydrophobicContact CD1-CG1 4.4Å; I99-V260 HydrophobicContact CD1-CG2 3.91Å; I99-V260 HydrophobicContact CG1-CB 4.4Å; I99-I262 HydrophobicContact CG2-CG2 4.4Å; I99-I279 HydrophobicContact CG2-CD1 3.59Å; I99-T362 HydrophobicContact CD1-CG2 3.8Å; I99-I391 HydrophobicContact CB-CD1 4Å; I99-I391 HydrophobicContact CG2-CD1 4Å
100I98.9Very high98.8Very high3 Ų333.7 Ų33.72%0.01517%0.165CC..Hα-helixtrans-61.6-45.6174.3-68.5179.6000110.9F96 Q97 A103 Q104 Y282 V284 I389 I391F96-I100 PolarHBondContact O-N 3.16Å; Q97-I100 PolarHBondContact O-N 2.93Å; I100-A103 PolarHBondContact O-N 2.92Å; I100-Q104 VanDerWaalsContact O-CG 3.23Å; I100-Q104 WeakPolarHBondContact O-CG 3.25Å; I100-Q104 PolarHBondContact O-N 2.74Å; I100-Y282 HydrophobicContact CB-CD2 4.45Å; I100-Y282 HydrophobicContact CD1-CD2 3.77Å; I100-Y282 HydrophobicContact CD1-CG 3.9Å; I100-Y282 HydrophobicContact CG1-CD1 4.19Å; I100-Y282 HydrophobicContact CG1-CD2 3.94Å; I100-Y282 HydrophobicContact CG1-CG 3.76Å; I100-Y282 HydrophobicContact CG2-CD2 3.73Å; I100-Y282 HydrophobicContact CG2-CE1 4.3Å; I100-Y282 HydrophobicContact CG2-CE2 3.51Å; I100-Y282 HydrophobicContact CG2-CG 4.25Å; I100-V284 HydrophobicContact CD1-CG2 4.06Å; I100-I389 HydrophobicContact CD1-CD1 3.51Å; I100-I389 HydrophobicContact CD1-CG1 3.81Å; I100-I391 HydrophobicContact CD1-CD1 4.47Å; I100-I391 HydrophobicContact CD1-CG1 4.28Å; I100-I391 HydrophobicContact CG1-CD1 3.88Å; I100-I391 HydrophobicContact CG1-CG1 4.11Å
101N98.9Very high98.8Very high34 Ų3430.8 Ų30.818%0.18216%0.155CC..Hα-helixtrans-63.4-43.1177.8-71.9120.6000111.6I55 Q97 S98 A103 Q104 E105I55-N101 HydrophobicContact CD1-CB 3.72Å; I55-N101 HydrophobicContact CG2-CB 4.23Å; Q97-N101 WeakPolarHBondContact CG-OD1 3.38Å; Q97-N101 VanDerWaalsContact NE2-CG 3.3Å; Q97-N101 PolarHBondContact NE2-ND2 3.1Å; Q97-N101 PolarHBondContact NE2-OD1 2.88Å; Q97-N101 PolarHBondContact O-N 2.95Å; Q97-N101 PolarHBondContact O-OD1 2.86Å; S98-N101 PolarHBondContact O-N 3.3Å; N101-A103 VanDerWaalsContact C-N 3.35Å; N101-A103 PolarHBondContact O-N 2.93Å; N101-Q104 PolarHBondContact ND2-OE1 3.19Å; N101-Q104 WeakPolarHBondContact O-CB 3.29Å; N101-Q104 PolarHBondContact O-N 3.27Å; N101-Q104 VanDerWaalsContact O-N 3.13Å; N101-E105 PolarHBondContact O-N 2.96Å
102G98.9Very high98.8Very high0 Ų030.5 Ų30.50%015%0.152CC..Hα-helixtrans-63.4-40.317600000112.5S98 I99 Q104 E105 I106 I262S98-G102 PolarHBondContact O-N 2.91Å; I99-G102 PolarHBondContact O-N 2.64Å; G102-Q104 VanDerWaalsContact C-N 3.27Å; G102-Q104 PolarHBondContact O-N 3.28Å; G102-E105 PolarHBondContact O-N 3.22Å; G102-I106 WeakPolarHBondContact O-CG1 3.41Å; G102-I106 PolarHBondContact O-N 3.49Å; G102-I262 VanDerWaalsContact C-CD1 3.41Å
103A98.9Very high98.8Very high0 Ų029.9 Ų29.90%015%0.148CC..Hα-helixtrans-63.9-33.4174.800000112.1L3 V7 I99 I100 N101 C107 I279 Y282L3-A103 HydrophobicContact CD2-CB 4.22Å; V7-A103 HydrophobicContact CG1-CB 4.27Å; V7-A103 HydrophobicContact CG2-CB 4.4Å; I99-A103 WeakPolarHBondContact O-CB 3.21Å; I99-A103 PolarHBondContact O-N 2.84Å; I100-A103 PolarHBondContact O-N 2.92Å; N101-A103 VanDerWaalsContact C-N 3.35Å; N101-A103 PolarHBondContact O-N 2.93Å; A103-C107 WeakPolarHBondContact O-CB 3.47Å; A103-C107 PolarHBondContact O-N 2.95Å; A103-C107 PolarHBondContact O-SG 2.82Å; A103-I279 HydrophobicContact CB-CD1 4.38Å; A103-Y282 HydrophobicContact CB-CE1 4.38Å
104Q98.8Very high98.8Very high69 Ų6929.9 Ų29.932%0.32215%0.148SC..Hα-helixtrans-68.2-47.5174.1-71.8164.5-10.100111.6I100 N101 G102 I106 C107 L108 Y282I100-Q104 VanDerWaalsContact O-CG 3.23Å; I100-Q104 WeakPolarHBondContact O-CG 3.25Å; I100-Q104 PolarHBondContact O-N 2.74Å; N101-Q104 PolarHBondContact ND2-OE1 3.19Å; N101-Q104 WeakPolarHBondContact O-CB 3.29Å; N101-Q104 PolarHBondContact O-N 3.27Å; N101-Q104 VanDerWaalsContact O-N 3.13Å; G102-Q104 VanDerWaalsContact C-N 3.27Å; G102-Q104 PolarHBondContact O-N 3.28Å; Q104-I106 VanDerWaalsContact C-N 3.28Å; Q104-I106 PolarHBondContact O-N 3.36Å; Q104-C107 PolarHBondContact O-N 3.16Å; Q104-L108 WeakPolarHBondContact O-CG 3.46Å; Q104-L108 PolarHBondContact O-N 2.86Å; Q104-Y282 WeakPolarHBondContact CG-OH 3.21Å; Q104-Y282 PolarHBondContact NE2-OH 3.13Å
105E98.9Very high98.8Very high45 Ų4529.9 Ų29.921%0.2115%0.148CC..Hα-helixtrans-57.2-42.8175.1-70.9-179.5179.800111.1S53 N101 G102 L108 K109 D110 S111S53-E105 WeakPolarHBondContact CB-OE2 3.47Å; S53-E105 PolarHBondContact OG-OE2 2.93Å; N101-E105 PolarHBondContact O-N 2.96Å; G102-E105 PolarHBondContact O-N 3.22Å; E105-L108 PolarHBondContact O-N 2.81Å; E105-K109 PolarHBondContact O-N 2.87Å; E105-K109 VanDerWaalsContact O-N 3.13Å; E105-D110 HydrophobicContact CB-CB 4.35Å; E105-D110 PolarHBondContact O-N 3.33Å; E105-S111 PolarHBondContact O-N 2.77Å
106I98.9Very high98.8Very high0 Ų029.9 Ų29.90%015%0.148CC..Hα-helixtrans-64-48174.7-67.1167.5000111.6R5 V7 G102 Q104 L108 K109 S111 V114 I262R5-I106 VanDerWaalsContact CD-O 3.31Å; R5-I106 WeakPolarHBondContact CD-O 3.45Å; R5-I106 PolarHBondContact NH1-O 2.96Å; V7-I106 HydrophobicContact CG1-CD1 3.9Å; V7-I106 HydrophobicContact CG2-CB 4.13Å; V7-I106 HydrophobicContact CG2-CG2 3.8Å; G102-I106 WeakPolarHBondContact O-CG1 3.41Å; G102-I106 PolarHBondContact O-N 3.49Å; Q104-I106 VanDerWaalsContact C-N 3.28Å; Q104-I106 PolarHBondContact O-N 3.36Å; I106-L108 PolarHBondContact O-N 3.01Å; I106-K109 PolarHBondContact O-N 3.12Å; I106-S111 VanDerWaalsContact CA-O 3.31Å; I106-S111 WeakPolarHBondContact CA-O 3.47Å; I106-S111 WeakPolarHBondContact CG1-O 3.27Å; I106-V114 HydrophobicContact CD1-CG2 4.1Å; I106-V114 HydrophobicContact CG1-CG2 4.02Å; I106-I262 HydrophobicContact CD1-CB 4.44Å; I106-I262 HydrophobicContact CD1-CD1 3.91Å; I106-I262 HydrophobicContact CD1-CG1 3.82Å
107C98.7Very high98.8Very high16 Ų1629.9 Ų29.911%0.10815%0.148CC..Hα-helixtrans-59.1-33.1179.4-76.20000112.9L4 A103 Q104 K109L4-C107 HydrophobicContact CB-CB 4.16Å; A103-C107 WeakPolarHBondContact O-CB 3.47Å; A103-C107 PolarHBondContact O-N 2.95Å; A103-C107 PolarHBondContact O-SG 2.82Å; Q104-C107 PolarHBondContact O-N 3.16Å; C107-K109 VanDerWaalsContact C-N 3.34Å
108L98.4Very high98.8Very high114 Ų11429.3 Ų29.360%0.59715%0.145SC*.Hα-helixtrans-86.9-2.9178.2-63.8176.5000113.6Q104 E105 I106 D110Q104-L108 WeakPolarHBondContact O-CG 3.46Å; Q104-L108 PolarHBondContact O-N 2.86Å; E105-L108 PolarHBondContact O-N 2.81Å; I106-L108 PolarHBondContact O-N 3.01Å; L108-D110 VanDerWaalsContact C-N 3.25Å; L108-D110 PolarHBondContact O-N 2.91Å
109K98.5Very high98.8Very high154 Ų15429.3 Ų29.367%0.6715%0.145SC*.THydrogen-bonded Turntrans64.625.4-175.9-47.1-170.6174.3-170.30114.1E105 I106 C107 S111E105-K109 PolarHBondContact O-N 2.87Å; E105-K109 VanDerWaalsContact O-N 3.13Å; I106-K109 PolarHBondContact O-N 3.12Å; C107-K109 VanDerWaalsContact C-N 3.34Å; K109-S111 VanDerWaalsContact C-N 3.33Å
110D98.5Very high98.8Very high116 Ų11629.3 Ų29.362%0.6215%0.145SC*.SBendtrans-82.9-15.6171.1-65-35.6000111.7E105 L108E105-D110 HydrophobicContact CB-CB 4.35Å; E105-D110 PolarHBondContact O-N 3.33Å; L108-D110 VanDerWaalsContact C-N 3.25Å; L108-D110 PolarHBondContact O-N 2.91Å
111S98.7Very high98.8Very high7 Ų729.1 Ų29.15%0.04914%0.144CC..  trans-152157.2176.3-73.50000111.7S53 E105 I106 K109S53-S111 WeakPolarHBondContact CB-OG 3.44Å; E105-S111 PolarHBondContact O-N 2.77Å; I106-S111 VanDerWaalsContact CA-O 3.31Å; I106-S111 WeakPolarHBondContact CA-O 3.47Å; I106-S111 WeakPolarHBondContact CG1-O 3.27Å; K109-S111 VanDerWaalsContact C-N 3.33Å
112E98.8Very high98.8Very high56 Ų5627.7 Ų27.726%0.26214%0.136SC..SBendtrans-117.5-33.6176.7-64.4-61.413600111.6R5 N52 A263 S264 A267R5-E112 IonicContact CZ-OE1 3.52Å; R5-E112 IonicContact CZ-OE2 3.61Å; R5-E112 IonicContact NH1-OE1 3.34Å; R5-E112 PolarHBondContact NH1-OE1 2.79Å; R5-E112 IonicContact NH1-OE2 3.91Å; R5-E112 VanDerWaalsContact NH2-CD 3.31Å; R5-E112 IonicContact NH2-OE1 3.62Å; R5-E112 PolarHBondContact NH2-OE1 3.45Å; R5-E112 IonicContact NH2-OE2 2.82Å; R5-E112 PolarHBondContact NH2-OE2 2.87Å; N52-E112 WeakPolarHBondContact OD1-CA 3.12Å; N52-E112 WeakPolarHBondContact OD1-CB 3.4Å; N52-E112 PolarHBondContact OD1-N 3.32Å; E112-A263 CarbonylContact O-C 3.46Å; E112-A263 WeakPolarHBondContact O-CA 3.49Å; E112-S264 PolarHBondContact O-N 3.42Å; E112-S264 WeakPolarHBondContact OE2-CB 3.34Å; E112-S264 PolarHBondContact OE2-OG 2.85Å; E112-A267 HydrophobicContact CB-CB 4.16Å
113V98.9Very high98.8Very high1 Ų128.9 Ų28.91%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-130.8128.5170.9-174.60000109.6V46 L50 V51 N52 V261 I262 A263 A267V46-V113 HydrophobicContact CG1-CG1 4.15Å; L50-V113 HydrophobicContact CB-CG2 4.34Å; L50-V113 WeakPolarHBondContact O-CB 3.3Å; V51-V113 HydrophobicContact CG2-CG1 4.44Å; N52-V113 PolarHBondContact N-O 2.92Å; N52-V113 PolarHBondContact OD1-N 2.76Å; V113-V261 HydrophobicContact CG1-CG1 3.74Å; V113-I262 WeakPolarHBondContact CA-O 3.45Å; V113-A263 HydrophobicContact CG2-CB 4.17Å; V113-A267 HydrophobicContact CG2-CB 3.86Å
114V98.9Very high98.8Very high0 Ų031.4 Ų31.40%016%0.156CC..EExtended strand (participates in β ladder)trans-126.4128.3-178.9-171.50000110.1S53 I55 I106 C116 I262S53-V114 WeakPolarHBondContact O-CA 3.45Å; S53-V114 WeakPolarHBondContact O-CG1 3.18Å; I55-V114 HydrophobicContact CD1-CG1 4.05Å; I55-V114 HydrophobicContact CG1-CG1 4.03Å; I106-V114 HydrophobicContact CD1-CG2 4.1Å; I106-V114 HydrophobicContact CG1-CG2 4.02Å; V114-C116 VanDerWaalsContact CG1-SG 3.6Å; V114-C116 PolarHBondContact O-N 3.44Å; V114-I262 HydrophobicContact CB-CD1 4.23Å; V114-I262 HydrophobicContact CB-CG1 3.84Å; V114-I262 PolarHBondContact N-O 2.97Å; V114-I262 PolarHBondContact O-N 2.83Å
115L98.9Very high98.8Very high0 Ų028.9 Ų28.90%015%0.148CC..EExtended strand (participates in β ladder)trans-85.2103.6169.3175.262.5000108.6V51 S53 V54 I55 F56 A259 V261V51-L115 HydrophobicContact CG1-CB 3.98Å; S53-L115 PolarHBondContact O-N 3.02Å; V54-L115 WeakPolarHBondContact CA-O 3.46Å; V54-L115 HydrophobicContact CG1-CD2 4.19Å; V54-L115 HydrophobicContact CG1-CG 4.46Å; V54-L115 HydrophobicContact CG2-CB 4.33Å; V54-L115 HydrophobicContact CG2-CD2 4.38Å; I55-L115 PolarHBondContact N-O 2.58Å; F56-L115 HydrophobicContact CE2-CD2 4.39Å; F56-L115 HydrophobicContact CE2-CG 4.14Å; L115-A259 HydrophobicContact CD1-CB 4.34Å; L115-V261 HydrophobicContact CD1-CG2 3.91Å
116C98.9Very high98.7Very high0 Ų029.6 Ų29.60%016%0.156CC..EExtended strand (participates in β ladder)trans-100.3158.2177.7-56.80000110.3I55 I99 V114 A259 V260I55-C116 CarbonylContact O-C 3.58Å; I55-C116 VanDerWaalsContact O-CA 3.3Å; I55-C116 WeakPolarHBondContact O-CA 3.47Å; I99-C116 HydrophobicContact CB-CB 4.5Å; I99-C116 HydrophobicContact CG1-CB 3.82Å; V114-C116 VanDerWaalsContact CG1-SG 3.6Å; V114-C116 PolarHBondContact O-N 3.44Å; C116-A259 CarbonylContact O-C 3.45Å; C116-A259 WeakPolarHBondContact O-CA 3.27Å; C116-V260 CarbonylContact C-O 3.34Å; C116-V260 WeakPolarHBondContact CA-O 3.17Å; C116-V260 WeakPolarHBondContact CB-O 3.19Å; C116-V260 PolarHBondContact N-O 3.36Å; C116-V260 PolarHBondContact O-N 2.79Å; C116-V260 VanDerWaalsContact O-O 3.06Å
117G98.8Very high98.7Very high0 Ų036.1 Ų36.10%018%0.182CC..EExtended strand (participates in β ladder)trans177.1-175.9174.600000114.3I55 F56 G57 S98 A258I55-G117 PolarHBondContact O-N 3.06Å; F56-G117 WeakPolarHBondContact CA-O 3.26Å; G57-G117 PolarHBondContact N-O 2.85Å; S98-G117 VanDerWaalsContact CB-O 3.28Å; S98-G117 WeakPolarHBondContact CB-O 3.46Å; S98-G117 PolarHBondContact OG-N 3.45Å; S98-G117 VanDerWaalsContact OG-N 3.13Å; S98-G117 PolarHBondContact OG-O 2.84Å; G117-A258 CarbonylContact C-O 3.59Å; G117-A258 WeakPolarHBondContact CA-O 3.22Å
118G98.9Very high98.7Very high0 Ų036.5 Ų36.50%019%0.186CC..EExtended strand (participates in β ladder)trans-148.8142.5174.800000110.5G57 A257 A258 G355 A356G57-G118 CarbonylContact O-C 3.5Å; G57-G118 VanDerWaalsContact O-CA 3.28Å; G57-G118 WeakPolarHBondContact O-CA 3.28Å; G118-A257 CarbonylContact O-C 3.57Å; G118-A257 WeakPolarHBondContact O-CA 3.29Å; G118-A258 PolarHBondContact N-O 2.95Å; G118-A258 PolarHBondContact O-N 2.93Å; G118-G355 VanDerWaalsContact CA-O 3.24Å; G118-G355 WeakPolarHBondContact CA-O 3.43Å; G118-A356 WeakPolarHBondContact O-CB 3.39Å
119S98.9Very high98.7Very high0 Ų034.5 Ų34.50%018%0.178CC..EExtended strand (participates in β ladder)trans-145.6143.5175.3-173.30000112.3A29 G57 N58 G256A29-S119 WeakPolarHBondContact CA-OG 3.39Å; A29-S119 WeakPolarHBondContact O-CB 3.4Å; A29-S119 PolarHBondContact O-OG 3.32Å; G57-S119 PolarHBondContact O-N 3.26Å; N58-S119 PolarHBondContact ND2-O 2.91Å; S119-G256 WeakPolarHBondContact CA-O 3.37Å; S119-G256 PolarHBondContact OG-O 3.01Å
120E98.9Very high98.6Very high0 Ų033.4 Ų33.40%017%0.17CC..EExtended strand (participates in β ladder)trans-141.3139.5172.5-148.268.2-109.900109.9N58 V59 M60 M122 D255 G256 P353 L354 G355N58-E120 PolarHBondContact ND2-OE1 3.45Å; V59-E120 WeakPolarHBondContact CB-OE2 3.41Å; V59-E120 WeakPolarHBondContact CG2-OE2 3.28Å; V59-E120 PolarHBondContact N-OE1 3.08Å; V59-E120 PolarHBondContact N-OE2 3.44Å; M60-E120 PolarHBondContact N-OE1 2.97Å; E120-M122 HydrophobicContact CB-CG 4.46Å; E120-M122 HydrophobicContact CG-CG 3.73Å; E120-D255 WeakPolarHBondContact O-CA 3.36Å; E120-G256 PolarHBondContact N-O 3.22Å; E120-G256 PolarHBondContact O-N 2.99Å; E120-P353 HydrophobicContact CB-CB 3.84Å; E120-L354 HydrophobicContact CG-CB 4.16Å; E120-G355 WeakPolarHBondContact OE2-CA 3.41Å; E120-G355 PolarHBondContact OE2-N 3.04Å
121S98.8Very high98.5Very high0 Ų034.8 Ų34.80%018%0.177CC..EExtended strand (participates in β ladder)trans-124.492.9165.9-178.40000106.6H27 S62 Q124 D255H27-S121 PolarHBondContact O-OG 2.91Å; H27-S121 VanDerWaalsContact O-OG 3.11Å; S62-S121 WeakPolarHBondContact CB-O 3.48Å; S62-S121 PolarHBondContact OG-O 3.43Å; S121-Q124 WeakPolarHBondContact OG-CG 3.2Å; S121-D255 WeakPolarHBondContact CA-OD1 3.41Å
122M98.8Very high98.5Very high3 Ų337.1 Ų37.12%0.01519%0.191CC..SBendtrans-78-26.9-178.1-58.5-179.478.100110.8E120 Q124 A125 L148 V253 S254 D255 L354E120-M122 HydrophobicContact CB-CG 4.46Å; E120-M122 HydrophobicContact CG-CG 3.73Å; M122-Q124 PolarHBondContact O-N 3.45Å; M122-A125 WeakPolarHBondContact O-CB 3.42Å; M122-A125 PolarHBondContact O-N 3.15Å; M122-L148 HydrophobicContact CE-CD1 3.38Å; M122-V253 HydrophobicContact CB-CG1 3.49Å; M122-V253 VanDerWaalsContact CB-CG1 3.49Å; M122-V253 HydrophobicContact CE-CB 4.42Å; M122-V253 HydrophobicContact CE-CG1 3.9Å; M122-V253 HydrophobicContact CE-CG2 4.2Å; M122-V253 HydrophobicContact CG-CG1 4.28Å; M122-V253 HydrophobicContact SD-CG1 3.91Å; M122-S254 VanDerWaalsContact CG-O 3.24Å; M122-S254 WeakPolarHBondContact CG-O 3.44Å; M122-S254 VanDerWaalsContact SD-O 3.39Å; M122-D255 PolarHBondContact N-OD1 2.55Å; M122-L354 HydrophobicContact CE-CD1 4.04Å; M122-L354 HydrophobicContact CE-CD2 4.38Å; M122-L354 HydrophobicContact CE-CG 3.92Å; M122-L354 HydrophobicContact SD-CG 4.15Å
123S98.8Very high98.5Very high25 Ų2545.1 Ų45.118%0.17522%0.219CC..THydrogen-bonded Turntrans-60.9-26.5171.6-65.10000113.7G21 D255G21-S123 PolarHBondContact N-OG 2.8Å; S123-D255 WeakPolarHBondContact CB-OD2 3.46Å; S123-D255 PolarHBondContact N-OD1 2.63Å; S123-D255 VanDerWaalsContact OG-CG 3.28Å; S123-D255 PolarHBondContact OG-OD1 2.93Å; S123-D255 PolarHBondContact OG-OD2 3.08Å
124Q98.8Very high98.4Very high53 Ų5354.6 Ų54.625%0.24826%0.26CS..THydrogen-bonded Turntrans-93.60.6178.9-67.1-168.6-0.300113.7K25 H27 S62 S121 M122 P126K25-Q124 WeakPolarHBondContact O-CG 3.44Å; K25-Q124 PolarHBondContact O-NE2 3.4Å; H27-Q124 VanDerWaalsContact C-NE2 3.25Å; H27-Q124 PolarHBondContact O-NE2 3.4Å; S62-Q124 WeakPolarHBondContact O-CB 3.38Å; S121-Q124 WeakPolarHBondContact OG-CG 3.2Å; M122-Q124 PolarHBondContact O-N 3.45Å; Q124-P126 WeakPolarHBondContact O-CD 3.27Å; Q124-P126 VanDerWaalsContact O-N 3.1Å
125A98.6Very high98.3Very high17 Ų1757.2 Ų57.214%0.1429%0.287CS..PPolyproline II helixtrans-54.8120.9-179.600000110.5M60 M122 L148M60-A125 HydrophobicContact SD-CB 4.42Å; M122-A125 WeakPolarHBondContact O-CB 3.42Å; M122-A125 PolarHBondContact O-N 3.15Å; A125-L148 HydrophobicContact CB-CB 3.58Å
126P98.4Very high98.2Very high59 Ų5961.2 Ų61.238%0.38331%0.312SS..PPolyproline II helixtrans-76.7162.7-169.531.3-37.3000111Q124 T147Q124-P126 WeakPolarHBondContact O-CD 3.27Å; Q124-P126 VanDerWaalsContact O-N 3.1Å; P126-T147 WeakPolarHBondContact CD-OG1 3.36Å; P126-T147 HydrophobicContact CG-CG2 4.46Å; P126-T147 WeakPolarHBondContact O-CB 3.46Å; P126-T147 VanDerWaalsContact O-CG2 3.27Å; P126-T147 WeakPolarHBondContact O-CG2 3.37Å; P126-T147 PolarHBondContact O-N 2.96Å; P126-T147 PolarHBondContact O-OG1 3.49Å
127Y98.6Very high98.1Very high138 Ų13869.7 Ų69.754%0.54135%0.349SS..EExtended strand (participates in β ladder)trans-81.2142.2153.7-72.6-91.8000110.3L144 E145 D146Y127-L144 HydrophobicContact CD1-CB 4.46Å; Y127-L144 HydrophobicContact CD1-CD2 4.31Å; Y127-L144 HydrophobicContact CD1-CG 3.77Å; Y127-L144 WeakPolarHBondContact CD1-O 3.29Å; Y127-L144 HydrophobicContact CG-CD1 4.41Å; Y127-L144 HydrophobicContact CG-CD2 4.25Å; Y127-L144 HydrophobicContact CG-CG 3.86Å; Y127-E145 CarbonylContact C-O 3.59Å; Y127-E145 WeakPolarHBondContact CA-O 3.4Å; Y127-D146 HydrophobicContact CD1-CB 4.13Å; Y127-D146 HydrophobicContact CE1-CB 3.74Å
128A98.1Very high98Very high23 Ų2380.3 Ų80.319%0.1940%0.395CS..EExtended strand (participates in β ladder)trans-117.5138.5177.800000111.8E145 T147A128-E145 PolarHBondContact N-O 3.12Å; A128-E145 WeakPolarHBondContact O-CB 3.45Å; A128-E145 PolarHBondContact O-N 3.41Å; A128-T147 HydrophobicContact CB-CG2 3.64Å
129V98.1Very high97.8Very high73 Ų7383.8 Ų83.844%0.44243%0.431SS..EExtended strand (participates in β ladder)trans-108.3117.4167.5-176.50000108.3V132 L144V129-V132 HydrophobicContact CG1-CG1 3.69Å; V129-V132 HydrophobicContact CG1-CG2 3.97Å; V129-L144 HydrophobicContact CG2-CD1 3.6Å
130R97.4Very high97.6Very high131 Ų13188.1 Ų88.149%0.49445%0.454SS..  trans-99.2159.3-177.1-56.6-176.1-174.8-76.2-2.3110.8V132 E145R130-V132 VanDerWaalsContact C-N 3.34Å; R130-V132 PolarHBondContact O-N 2.66Å; R130-E145 IonicContact CZ-OE1 3.89Å; R130-E145 IonicContact NE-OE1 2.66Å; R130-E145 PolarHBondContact NE-OE1 3.4Å; R130-E145 IonicContact NE-OE2 3.91Å; R130-E145 PolarHBondContact NE-OE2 2.86Å; R130-E145 IonicContact NH2-OE1 3.13Å; R130-E145 PolarHBondContact NH2-OE1 2.8Å
131N96.8Very high97.5Very high144 Ų14493.6 Ų93.677%0.7748%0.483SS*.SBendtrans64.824.9170.6-49.2-40.8000116.4
132V97.7Very high97.3Very high57 Ų5797.1 Ų97.135%0.34550%0.502SS..  trans-110.6-7.7-179.6-62.70000114.9V129 R130 F134 T136 L142V129-V132 HydrophobicContact CG1-CG1 3.69Å; V129-V132 HydrophobicContact CG1-CG2 3.97Å; R130-V132 VanDerWaalsContact C-N 3.34Å; R130-V132 PolarHBondContact O-N 2.66Å; V132-F134 PolarHBondContact O-N 3.24Å; V132-T136 HydrophobicContact CB-CG2 4.26Å; V132-T136 HydrophobicContact CG1-CG2 3.82Å; V132-L142 HydrophobicContact CG1-CD1 3.73Å; V132-L142 HydrophobicContact CG1-CD2 3.52Å; V132-L142 HydrophobicContact CG1-CG 4.27Å
133R98.1Very high97.2Very high224 Ų224102.9 Ų102.985%0.84553%0.527SS*.THydrogen-bonded Turntrans-60.3-29.3-174.6-79.2-173.6-174.2-86.60.1114.2
134F97.8Very high97.2Very high200 Ų200107.3 Ų107.388%0.87755%0.547SS*.THydrogen-bonded Turntrans-12228.7-170.2-49.8-63.2000112.5V132V132-F134 PolarHBondContact O-N 3.24Å
135G96.4Very high97.1Very high55 Ų55107.7 Ų107.757%0.56755%0.549SS*.  trans89.2167.1-174.500000113.2
136T97.6Very high97.1Very high84 Ų84109.1 Ų109.152%0.51555%0.554SS.*  trans-128.2157.3-176.859.10000110.4V132 L142V132-T136 HydrophobicContact CB-CG2 4.26Å; V132-T136 HydrophobicContact CG1-CG2 3.82Å; T136-L142 HydrophobicContact CG2-CD1 4.11Å; T136-L142 HydrophobicContact CG2-CD2 4.42Å
137K96.6Very high97.1Very high177 Ų177107.8 Ų107.877%0.7755%0.546SS*.  trans-90.1143174.4-64.6-178.3-179.6179.60109.7G139 L140K137-G139 PolarHBondContact O-N 3.2Å; K137-L140 WeakPolarHBondContact O-CB 3.17Å; K137-L140 PolarHBondContact O-N 2.95Å; K137-L140 VanDerWaalsContact O-N 3.15Å
138F96.1Very high97.1Very high223 Ų223101.8 Ų101.898%0.97852%0.523SS*.THydrogen-bonded Turntrans-54.8131171.1176.8-100.8000110.1
139G95.1Very high97Very high73 Ų73108.3 Ų108.375%0.75354%0.542SS*.THydrogen-bonded Turntrans82.53.9-178.600000116.2K137 D141K137-G139 PolarHBondContact O-N 3.2Å; G139-D141 PolarHBondContact O-N 2.67Å
140L95.3Very high96.8Very high92 Ų92106.2 Ų106.248%0.48253%0.533SS..  trans-69.9128.5175.3-17666.6000111.4K137 L142K137-L140 WeakPolarHBondContact O-CB 3.17Å; K137-L140 PolarHBondContact O-N 2.95Å; K137-L140 VanDerWaalsContact O-N 3.15Å; L140-L142 HydrophobicContact CD2-CD2 3.76Å; L140-L142 HydrophobicContact CD2-CG 4.41Å; L140-L142 HydrophobicContact CG-CD2 4.28Å; L140-L142 PolarHBondContact O-N 2.93Å; L140-L142 VanDerWaalsContact O-N 3.12Å
141D95.7Very high96.7Very high114 Ų114102.1 Ų102.161%0.6153%0.532SS*.  trans-82.483.6176-175.313.9000110.9G139 K143G139-D141 PolarHBondContact O-N 2.67Å; D141-K143 VanDerWaalsContact CG-CE 3.47Å; D141-K143 WeakPolarHBondContact OD1-CE 3.41Å; D141-K143 IonicContact OD1-NZ 3.64Å; D141-K143 PolarHBondContact OD1-NZ 3.12Å; D141-K143 WeakPolarHBondContact OD2-CE 3.42Å; D141-K143 IonicContact OD2-NZ 2.71Å; D141-K143 PolarHBondContact OD2-NZ 3.07Å
142L95.6Very high96.8Very high75 Ų7597.6 Ų97.639%0.39351%0.507SS..  trans-68.6132.1175.2-67.8174.2000110.7V132 T136 L140V132-L142 HydrophobicContact CG1-CD1 3.73Å; V132-L142 HydrophobicContact CG1-CD2 3.52Å; V132-L142 HydrophobicContact CG1-CG 4.27Å; T136-L142 HydrophobicContact CG2-CD1 4.11Å; T136-L142 HydrophobicContact CG2-CD2 4.42Å; L140-L142 HydrophobicContact CD2-CD2 3.76Å; L140-L142 HydrophobicContact CD2-CG 4.41Å; L140-L142 HydrophobicContact CG-CD2 4.28Å; L140-L142 PolarHBondContact O-N 2.93Å; L140-L142 VanDerWaalsContact O-N 3.12Å
143K96.6Very high96.8Very high124 Ų12496.4 Ų96.454%0.53950%0.5SS..  trans-104.5139176.3-58.9-55-175.9-166.70111.1D141 E145D141-K143 VanDerWaalsContact CG-CE 3.47Å; D141-K143 WeakPolarHBondContact OD1-CE 3.41Å; D141-K143 IonicContact OD1-NZ 3.64Å; D141-K143 PolarHBondContact OD1-NZ 3.12Å; D141-K143 WeakPolarHBondContact OD2-CE 3.42Å; D141-K143 IonicContact OD2-NZ 2.71Å; D141-K143 PolarHBondContact OD2-NZ 3.07Å; K143-E145 PolarHBondContact O-N 3.06Å
144L97.6Very high96.8Very high117 Ų11787 Ų8761%0.61347%0.466SS*.EExtended strand (participates in β ladder)trans-85.990.1159-167.162.8000106Y127 V129Y127-L144 HydrophobicContact CD1-CB 4.46Å; Y127-L144 HydrophobicContact CD1-CD2 4.31Å; Y127-L144 HydrophobicContact CD1-CG 3.77Å; Y127-L144 WeakPolarHBondContact CD1-O 3.29Å; Y127-L144 HydrophobicContact CG-CD1 4.41Å; Y127-L144 HydrophobicContact CG-CD2 4.25Å; Y127-L144 HydrophobicContact CG-CG 3.86Å; V129-L144 HydrophobicContact CG2-CD1 3.6Å
145E97.9Very high96.6Very high62 Ų6283.7 Ų83.729%0.2946%0.457SS..EExtended strand (participates in β ladder)trans-79.2123-172.4-176.3-17494.100110.5Y127 A128 R130 K143 T147 A150Y127-E145 CarbonylContact C-O 3.59Å; Y127-E145 WeakPolarHBondContact CA-O 3.4Å; A128-E145 PolarHBondContact N-O 3.12Å; A128-E145 WeakPolarHBondContact O-CB 3.45Å; A128-E145 PolarHBondContact O-N 3.41Å; R130-E145 IonicContact CZ-OE1 3.89Å; R130-E145 IonicContact NE-OE1 2.66Å; R130-E145 PolarHBondContact NE-OE1 3.4Å; R130-E145 IonicContact NE-OE2 3.91Å; R130-E145 PolarHBondContact NE-OE2 2.86Å; R130-E145 IonicContact NH2-OE1 3.13Å; R130-E145 PolarHBondContact NH2-OE1 2.8Å; K143-E145 PolarHBondContact O-N 3.06Å; E145-T147 PolarHBondContact O-N 3.45Å; E145-A150 HydrophobicContact CG-CB 4.32Å
146D98.3Very high96.7Very high46 Ų4688.9 Ų88.925%0.24647%0.467CS..EExtended strand (participates in β ladder)trans-69.8110.9168.9-175.5-39.9000109Y127 L148 W149 A150Y127-D146 HydrophobicContact CD1-CB 4.13Å; Y127-D146 HydrophobicContact CE1-CB 3.74Å; D146-L148 VanDerWaalsContact C-N 3.33Å; D146-L148 WeakPolarHBondContact OD1-CA 3.4Å; D146-L148 WeakPolarHBondContact OD1-CB 3.36Å; D146-L148 PolarHBondContact OD1-N 3.26Å; D146-W149 HydrophobicContact CB-CB 4.01Å; D146-W149 PolarHBondContact OD1-N 3.04Å; D146-A150 WeakPolarHBondContact O-CB 3.27Å; D146-A150 PolarHBondContact O-N 3.24Å; D146-A150 VanDerWaalsContact O-N 3.08Å
147T98.2Very high96.7Very high32 Ų3287.1 Ų87.120%0.19645%0.453CS..Hα-helixtrans-73.7-25.9-175.361.40000113.3P126 A128 E145 G151P126-T147 WeakPolarHBondContact CD-OG1 3.36Å; P126-T147 HydrophobicContact CG-CG2 4.46Å; P126-T147 WeakPolarHBondContact O-CB 3.46Å; P126-T147 VanDerWaalsContact O-CG2 3.27Å; P126-T147 WeakPolarHBondContact O-CG2 3.37Å; P126-T147 PolarHBondContact O-N 2.96Å; P126-T147 PolarHBondContact O-OG1 3.49Å; A128-T147 HydrophobicContact CB-CG2 3.64Å; E145-T147 PolarHBondContact O-N 3.45Å; T147-G151 PolarHBondContact O-N 2.94Å
148L97.7Very high96.8Very high12 Ų1286.8 Ų86.86%0.06345%0.452CS..Hα-helixtrans-67.4-51.3174.1164.660.2000109.7Y20 M60 M122 A125 D146 A150 G151 L152 V253Y20-L148 HydrophobicContact CE2-CD2 3.97Å; M60-L148 HydrophobicContact CE-CD1 3.64Å; M60-L148 HydrophobicContact SD-CB 4.17Å; M60-L148 HydrophobicContact SD-CD1 3.75Å; M122-L148 HydrophobicContact CE-CD1 3.38Å; A125-L148 HydrophobicContact CB-CB 3.58Å; D146-L148 VanDerWaalsContact C-N 3.33Å; D146-L148 WeakPolarHBondContact OD1-CA 3.4Å; D146-L148 WeakPolarHBondContact OD1-CB 3.36Å; D146-L148 PolarHBondContact OD1-N 3.26Å; L148-A150 VanDerWaalsContact C-N 3.33Å; L148-A150 PolarHBondContact O-N 3.45Å; L148-G151 PolarHBondContact O-N 3.06Å; L148-G151 VanDerWaalsContact O-N 3.16Å; L148-L152 HydrophobicContact CD1-CD1 3.86Å; L148-L152 HydrophobicContact CD1-CG 4.15Å; L148-L152 HydrophobicContact CG-CD1 4.43Å; L148-L152 WeakPolarHBondContact O-CG 3.2Å; L148-L152 PolarHBondContact O-N 2.78Å; L148-L152 VanDerWaalsContact O-N 3.15Å; L148-V253 HydrophobicContact CD2-CG1 3.86Å
149W96.1Very high96.8Very high159 Ų15977.9 Ų77.960%0.60241%0.414SS*.Hα-helixtrans-61.2-43.4179.9-171.6-101.5000112D146 G151 L152D146-W149 HydrophobicContact CB-CB 4.01Å; D146-W149 PolarHBondContact OD1-N 3.04Å; W149-G151 VanDerWaalsContact C-N 3.34Å; W149-G151 PolarHBondContact O-N 3.34Å; W149-L152 PolarHBondContact O-N 3.3Å
150A95.4Very high97Very high30 Ų3076.1 Ų76.125%0.24839%0.389CS..Hα-helixtrans-61.6-41.3175.400000112.1E145 D146 L148 L152 T153E145-A150 HydrophobicContact CG-CB 4.32Å; D146-A150 WeakPolarHBondContact O-CB 3.27Å; D146-A150 PolarHBondContact O-N 3.24Å; D146-A150 VanDerWaalsContact O-N 3.08Å; L148-A150 VanDerWaalsContact C-N 3.33Å; L148-A150 PolarHBondContact O-N 3.45Å; A150-L152 PolarHBondContact O-N 2.83Å; A150-T153 PolarHBondContact O-N 3.26Å
151G95.2Very high97.1Very high45 Ų4572.9 Ų72.946%0.46437%0.372SS..Hα-helixtrans-67.7-19.1179.200000114.8T147 L148 W149 T153T147-G151 PolarHBondContact O-N 2.94Å; L148-G151 PolarHBondContact O-N 3.06Å; L148-G151 VanDerWaalsContact O-N 3.16Å; W149-G151 VanDerWaalsContact C-N 3.34Å; W149-G151 PolarHBondContact O-N 3.34Å; G151-T153 VanDerWaalsContact C-N 3.31Å
152L97.3Very high97.2Very high49 Ų4967.5 Ų67.526%0.25734%0.343SS..THydrogen-bonded Turntrans-90.68.3175.5-63.5177.1000113.4L148 W149 A150 M161L148-L152 HydrophobicContact CD1-CD1 3.86Å; L148-L152 HydrophobicContact CD1-CG 4.15Å; L148-L152 HydrophobicContact CG-CD1 4.43Å; L148-L152 WeakPolarHBondContact O-CG 3.2Å; L148-L152 PolarHBondContact O-N 2.78Å; L148-L152 VanDerWaalsContact O-N 3.15Å; W149-L152 PolarHBondContact O-N 3.3Å; A150-L152 PolarHBondContact O-N 2.83Å; L152-M161 WeakPolarHBondContact O-CG 3.4Å; L152-M161 PolarHBondContact O-N 3.13Å
153T97.9Very high97.3Very high32 Ų3265.7 Ų65.720%0.19633%0.334CS..EExtended strand (participates in β ladder)trans-118.5122.7170.8-59.70000109.8A150 G151 L155A150-T153 PolarHBondContact O-N 3.26Å; G151-T153 VanDerWaalsContact C-N 3.31Å; T153-L155 HydrophobicContact CG2-CD2 4.25Å; T153-L155 PolarHBondContact O-N 3.45Å; T153-L155 VanDerWaalsContact O-N 3.16Å
154D97.8Very high97.4Very high25 Ų2559.9 Ų59.913%0.13431%0.309CS..EExtended strand (participates in β ladder)trans-74.6109.1171.4179.5-10.5000108.6H156 I157 K158 I159 M161 G385D154-H156 VanDerWaalsContact C-N 3.29Å; D154-H156 PolarHBondContact O-N 3.04Å; D154-H156 VanDerWaalsContact OD1-CB 3.25Å; D154-H156 WeakPolarHBondContact OD1-CB 3.43Å; D154-H156 PolarHBondContact OD1-N 3.47Å; D154-I157 HydrophobicContact CB-CD1 4.12Å; D154-I157 HydrophobicContact CB-CG1 3.78Å; D154-K158 CarbonylContact O-C 3.53Å; D154-K158 WeakPolarHBondContact O-CA 3.39Å; D154-K158 PolarHBondContact O-N 3.16Å; D154-I159 PolarHBondContact N-O 3.35Å; D154-I159 PolarHBondContact O-N 3.38Å; D154-I159 VanDerWaalsContact O-N 3.12Å; D154-M161 HydrophobicContact CB-CE 3.63Å; D154-G385 WeakPolarHBondContact OD2-CA 3.21Å
155L95.7Very high97.5Very high131 Ų13154.3 Ų54.369%0.68628%0.28SS*.THydrogen-bonded Turntrans-73.8-15.9-177.6-63.4-179.9000113.8T153T153-L155 HydrophobicContact CG2-CD2 4.25Å; T153-L155 PolarHBondContact O-N 3.45Å; T153-L155 VanDerWaalsContact O-N 3.16Å
156H97.6Very high97.5Very high165 Ų16551.6 Ų51.676%0.76427%0.267SS*.THydrogen-bonded Turntrans-68-48.8175.1-177.972000110.6D154D154-H156 VanDerWaalsContact C-N 3.29Å; D154-H156 PolarHBondContact O-N 3.04Å; D154-H156 VanDerWaalsContact OD1-CB 3.25Å; D154-H156 WeakPolarHBondContact OD1-CB 3.43Å; D154-H156 PolarHBondContact OD1-N 3.47Å
157I97.4Very high97.6Very high46 Ų4651.8 Ų51.824%0.23627%0.268CS..THydrogen-bonded Turntrans-93.7-12.2176.960.7176000113.2D154 I159 P289D154-I157 HydrophobicContact CB-CD1 4.12Å; D154-I157 HydrophobicContact CB-CG1 3.78Å; I157-I159 HydrophobicContact CB-CD1 4.36Å; I157-I159 HydrophobicContact CB-CG1 4.18Å; I157-I159 HydrophobicContact CD1-CB 3.7Å; I157-I159 HydrophobicContact CD1-CD1 4.06Å; I157-I159 HydrophobicContact CD1-CG1 4.02Å; I157-I159 HydrophobicContact CG1-CB 3.79Å; I157-I159 HydrophobicContact CG1-CD1 4.32Å; I157-I159 HydrophobicContact CG1-CG1 3.9Å; I157-I159 WeakPolarHBondContact O-CG1 3.1Å; I157-P289 HydrophobicContact CD1-CB 3.9Å; I157-P289 WeakPolarHBondContact CD1-O 3.22Å; I157-P289 HydrophobicContact CG2-CB 3.99Å
158K97.7Very high97.6Very high171 Ų17150.3 Ų50.374%0.74326%0.259SS*.THydrogen-bonded Turntrans61.138.9-175.9-53175-176.3175.30113.3D154D154-K158 CarbonylContact O-C 3.53Å; D154-K158 WeakPolarHBondContact O-CA 3.39Å; D154-K158 PolarHBondContact O-N 3.16Å
159I97.5Very high97.7Very high35 Ų3549.9 Ų49.918%0.17926%0.257CS..EExtended strand (participates in β ladder)trans-121.5123.6-174.8-59.3-171.9000110D154 I157 I163 T164D154-I159 PolarHBondContact N-O 3.35Å; D154-I159 PolarHBondContact O-N 3.38Å; D154-I159 VanDerWaalsContact O-N 3.12Å; I157-I159 HydrophobicContact CB-CD1 4.36Å; I157-I159 HydrophobicContact CB-CG1 4.18Å; I157-I159 HydrophobicContact CD1-CB 3.7Å; I157-I159 HydrophobicContact CD1-CD1 4.06Å; I157-I159 HydrophobicContact CD1-CG1 4.02Å; I157-I159 HydrophobicContact CG1-CB 3.79Å; I157-I159 HydrophobicContact CG1-CD1 4.32Å; I157-I159 HydrophobicContact CG1-CG1 3.9Å; I157-I159 WeakPolarHBondContact O-CG1 3.1Å; I159-I163 HydrophobicContact CG2-CB 3.48Å; I159-I163 VanDerWaalsContact CG2-CB 3.48Å; I159-I163 HydrophobicContact CG2-CG2 3.45Å; I159-I163 VanDerWaalsContact CG2-CG2 3.45Å; I159-T164 HydrophobicContact CG2-CG2 3.78Å
160P97.8Very high97.8Very high36 Ų3647 Ų4723%0.23426%0.257CS..EExtended strand (participates in β ladder)trans-61.3146.3169-22.733.6000111.4G162 I163 T164 F239P160-G162 PolarHBondContact O-N 2.95Å; P160-G162 VanDerWaalsContact O-N 3.09Å; P160-I163 HydrophobicContact CB-CG1 4.43Å; P160-I163 HydrophobicContact CG-CG1 4.34Å; P160-I163 WeakPolarHBondContact O-CB 3.19Å; P160-I163 PolarHBondContact O-N 2.81Å; P160-T164 PolarHBondContact O-N 3.18Å; P160-F239 HydrophobicContact CB-CD1 4.13Å; P160-F239 HydrophobicContact CB-CE1 4.21Å
161M98.2Very high97.9Very high24 Ų2451.5 Ų51.512%0.11827%0.271CS..Hα-helixtrans-54.5-36.7-178.5-65.9-58.996.200113L152 D154 I163 T164 A165 M292 F323L152-M161 WeakPolarHBondContact O-CG 3.4Å; L152-M161 PolarHBondContact O-N 3.13Å; D154-M161 HydrophobicContact CB-CE 3.63Å; M161-I163 VanDerWaalsContact C-N 3.3Å; M161-I163 PolarHBondContact O-N 2.87Å; M161-T164 HydrophobicContact CE-CG2 4.31Å; M161-T164 WeakPolarHBondContact O-CB 3.34Å; M161-T164 PolarHBondContact O-N 3.31Å; M161-T164 VanDerWaalsContact O-N 3.09Å; M161-T164 PolarHBondContact O-OG1 2.86Å; M161-A165 PolarHBondContact O-N 2.82Å; M161-M292 HydrophobicContact CB-CE 4.29Å; M161-M292 HydrophobicContact CG-CE 4.48Å; M161-M292 HydrophobicContact SD-CE 3.79Å; M161-M292 HydrophobicContact SD-CG 4.15Å; M161-M292 HydrophobicContact SD-SD 4.35Å; M161-F323 HydrophobicContact CB-CE2 4.01Å; M161-F323 HydrophobicContact CB-CZ 4.13Å
162G97.8Very high98.1Very high1 Ų151.7 Ų51.71%0.0126%0.258CS..Hα-helixtrans-60.4-34.1175.500000114.2P160 A165 E166P160-G162 PolarHBondContact O-N 2.95Å; P160-G162 VanDerWaalsContact O-N 3.09Å; G162-A165 PolarHBondContact O-N 2.98Å; G162-E166 WeakPolarHBondContact O-CG 3.46Å; G162-E166 PolarHBondContact O-N 2.89Å; G162-E166 VanDerWaalsContact O-N 3.11Å
163I98.6Very high98.2Very high38 Ų3857 Ų5720%0.19528%0.281CS..Hα-helixtrans-71.8-31.6175.8-63.3-66.2000111.3I159 P160 M161 A165 E166 N167 F239 K240I159-I163 HydrophobicContact CG2-CB 3.48Å; I159-I163 VanDerWaalsContact CG2-CB 3.48Å; I159-I163 HydrophobicContact CG2-CG2 3.45Å; I159-I163 VanDerWaalsContact CG2-CG2 3.45Å; P160-I163 HydrophobicContact CB-CG1 4.43Å; P160-I163 HydrophobicContact CG-CG1 4.34Å; P160-I163 WeakPolarHBondContact O-CB 3.19Å; P160-I163 PolarHBondContact O-N 2.81Å; M161-I163 VanDerWaalsContact C-N 3.3Å; M161-I163 PolarHBondContact O-N 2.87Å; I163-A165 PolarHBondContact O-N 2.9Å; I163-E166 WeakPolarHBondContact O-CB 3.17Å; I163-E166 PolarHBondContact O-N 3.38Å; I163-N167 VanDerWaalsContact O-CG 3.29Å; I163-N167 PolarHBondContact O-N 2.99Å; I163-N167 PolarHBondContact O-OD1 2.82Å; I163-F239 HydrophobicContact CD1-CB 3.62Å; I163-F239 WeakPolarHBondContact CD1-O 3.41Å; I163-F239 HydrophobicContact CG1-CB 4.07Å; I163-K240 HydrophobicContact CD1-CB 4.06Å
164T98.8Very high98.2Very high1 Ų156.2 Ų56.21%0.00628%0.276CS..Hα-helixtrans-63.9-32.7173.775.30000111.9I159 P160 M161 N167 L168 S290 M292I159-T164 HydrophobicContact CG2-CG2 3.78Å; P160-T164 PolarHBondContact O-N 3.18Å; M161-T164 HydrophobicContact CE-CG2 4.31Å; M161-T164 WeakPolarHBondContact O-CB 3.34Å; M161-T164 PolarHBondContact O-N 3.31Å; M161-T164 VanDerWaalsContact O-N 3.09Å; M161-T164 PolarHBondContact O-OG1 2.86Å; T164-N167 PolarHBondContact O-N 3.28Å; T164-L168 PolarHBondContact O-N 2.89Å; T164-S290 WeakPolarHBondContact CA-O 3.43Å; T164-S290 WeakPolarHBondContact CB-O 3.44Å; T164-M292 HydrophobicContact CG2-CG 4.31Å; T164-M292 WeakPolarHBondContact OG1-CE 3.47Å
165A98.8Very high98.2Very high1 Ų157.3 Ų57.31%0.00829%0.285CS..Hα-helixtrans-71.9-37.6172.700000112.1M161 G162 I163 N167 L168 A169 V245 F323 A325 Q326M161-A165 PolarHBondContact O-N 2.82Å; G162-A165 PolarHBondContact O-N 2.98Å; I163-A165 PolarHBondContact O-N 2.9Å; A165-N167 VanDerWaalsContact C-N 3.29Å; A165-N167 PolarHBondContact O-N 2.93Å; A165-L168 WeakPolarHBondContact O-CB 3.24Å; A165-L168 PolarHBondContact O-N 3.16Å; A165-A169 PolarHBondContact O-N 3.39Å; A165-V245 HydrophobicContact CB-CG2 4.03Å; A165-F323 HydrophobicContact CB-CB 3.67Å; A165-F323 HydrophobicContact CB-CD1 4.34Å; A165-F323 HydrophobicContact CB-CD2 3.74Å; A165-F323 HydrophobicContact CB-CG 3.65Å; A165-A325 HydrophobicContact CB-CB 4.5Å; A165-Q326 HydrophobicContact CB-CB 4.43Å
166E98.8Very high98.4Very high4 Ų453.5 Ų53.52%0.01926%0.262CS..Hα-helixtrans-60.5-38.4171.1-66.3-72177.100112.1G162 I163 L168 A169 V170 K240 G243 T244 V245G162-E166 WeakPolarHBondContact O-CG 3.46Å; G162-E166 PolarHBondContact O-N 2.89Å; G162-E166 VanDerWaalsContact O-N 3.11Å; I163-E166 WeakPolarHBondContact O-CB 3.17Å; I163-E166 PolarHBondContact O-N 3.38Å; E166-L168 VanDerWaalsContact C-N 3.32Å; E166-L168 PolarHBondContact O-N 2.92Å; E166-A169 WeakPolarHBondContact O-CB 3.23Å; E166-A169 PolarHBondContact O-N 3.25Å; E166-V170 WeakPolarHBondContact O-CG2 3.44Å; E166-V170 PolarHBondContact O-N 2.95Å; E166-K240 HydrophobicContact CB-CD 4.24Å; E166-K240 HydrophobicContact CG-CB 4.13Å; E166-K240 HydrophobicContact CG-CD 4.32Å; E166-G243 VanDerWaalsContact OE1-CA 3.28Å; E166-G243 WeakPolarHBondContact OE1-CA 3.42Å; E166-G243 VanDerWaalsContact OE2-CA 3.22Å; E166-G243 WeakPolarHBondContact OE2-CA 3.45Å; E166-T244 VanDerWaalsContact CD-N 3.29Å; E166-T244 PolarHBondContact OE1-N 2.98Å; E166-T244 PolarHBondContact OE2-N 3.19Å; E166-T244 PolarHBondContact OE2-OG1 2.93Å; E166-V245 HydrophobicContact CG-CG2 4.08Å; E166-V245 WeakPolarHBondContact OE1-CB 3.1Å; E166-V245 PolarHBondContact OE1-N 3.08Å
167N98.8Very high98.4Very high51 Ų5149.7 Ų49.727%0.27325%0.247SC..Hα-helixtrans-63.1-40.4175.7-67.4-17.9000111.5I163 T164 A165 V170 K171 S290 I291I163-N167 VanDerWaalsContact O-CG 3.29Å; I163-N167 PolarHBondContact O-N 2.99Å; I163-N167 PolarHBondContact O-OD1 2.82Å; T164-N167 PolarHBondContact O-N 3.28Å; A165-N167 VanDerWaalsContact C-N 3.29Å; A165-N167 PolarHBondContact O-N 2.93Å; N167-V170 PolarHBondContact O-N 3.45Å; N167-K171 WeakPolarHBondContact O-CB 3.19Å; N167-K171 PolarHBondContact O-N 2.88Å; N167-S290 PolarHBondContact ND2-O 3.36Å; N167-I291 HydrophobicContact CB-CG2 3.87Å
168L98.9Very high98.5Very high0 Ų050.6 Ų50.60%025%0.252CS..Hα-helixtrans-66.5-40.3173-74.4172.6000112.1T164 A165 E166 V170 K171 Y172 I291 I294 Q326 A329T164-L168 PolarHBondContact O-N 2.89Å; A165-L168 WeakPolarHBondContact O-CB 3.24Å; A165-L168 PolarHBondContact O-N 3.16Å; E166-L168 VanDerWaalsContact C-N 3.32Å; E166-L168 PolarHBondContact O-N 2.92Å; L168-V170 VanDerWaalsContact C-N 3.29Å; L168-V170 PolarHBondContact O-N 3.12Å; L168-K171 PolarHBondContact O-N 3.38Å; L168-Y172 HydrophobicContact CD2-CD2 3.91Å; L168-Y172 HydrophobicContact CD2-CE2 3.67Å; L168-Y172 WeakPolarHBondContact O-CB 3.27Å; L168-Y172 PolarHBondContact O-N 2.73Å; L168-I291 HydrophobicContact CD2-CB 3.89Å; L168-I291 HydrophobicContact CD2-CG2 4.11Å; L168-I291 HydrophobicContact CG-CB 4.14Å; L168-I291 HydrophobicContact CG-CG2 4.25Å; L168-I294 HydrophobicContact CD2-CB 4.11Å; L168-I294 HydrophobicContact CD2-CD1 4.3Å; L168-Q326 HydrophobicContact CD1-CB 4.24Å; L168-Q326 HydrophobicContact CD1-CG 4.2Å; L168-A329 HydrophobicContact CB-CB 4.04Å; L168-A329 HydrophobicContact CD1-CB 4.35Å; L168-A329 HydrophobicContact CD2-CB 4.15Å; L168-A329 HydrophobicContact CG-CB 4.42Å
169A98.8Very high98.5Very high4 Ų442.5 Ų42.53%0.03322%0.217CC..Hα-helixtrans-57.4-44.9176.500000111.4A165 E166 E173 I174 T244 A325A165-A169 PolarHBondContact O-N 3.39Å; E166-A169 WeakPolarHBondContact O-CB 3.23Å; E166-A169 PolarHBondContact O-N 3.25Å; A169-E173 WeakPolarHBondContact O-CA 3.38Å; A169-E173 PolarHBondContact O-N 3.44Å; A169-I174 HydrophobicContact CB-CB 4.45Å; A169-I174 PolarHBondContact O-N 2.85Å; A169-T244 HydrophobicContact CB-CG2 3.96Å; A169-A325 HydrophobicContact CB-CB 3.92Å
170V98.7Very high98.6Very high97 Ų9741.1 Ų41.159%0.58821%0.21SC*.Hα-helixtrans-64.6-50.2174.8174.20000111.2E166 N167 L168 Y172 E173E166-V170 WeakPolarHBondContact O-CG2 3.44Å; E166-V170 PolarHBondContact O-N 2.95Å; N167-V170 PolarHBondContact O-N 3.45Å; L168-V170 VanDerWaalsContact C-N 3.29Å; L168-V170 PolarHBondContact O-N 3.12Å; V170-Y172 VanDerWaalsContact C-N 3.32Å; V170-Y172 PolarHBondContact O-N 3.03Å; V170-E173 PolarHBondContact O-N 3.03Å
171K98.7Very high98.6Very high126 Ų12644.4 Ų44.455%0.54822%0.221SC..Hα-helixtrans-63.8-35.1-174.5-178.6174.1179.4177.70113.5N167 L168N167-K171 WeakPolarHBondContact O-CB 3.19Å; N167-K171 PolarHBondContact O-N 2.88Å; L168-K171 PolarHBondContact O-N 3.38Å
172Y98.6Very high98.7Very high48 Ų4843.7 Ų43.719%0.18822%0.217CC..THydrogen-bonded Turntrans-103.37.4-177.4-73.6-93.2000113.1L168 V170 I174 I294 A329 K332 A333L168-Y172 HydrophobicContact CD2-CD2 3.91Å; L168-Y172 HydrophobicContact CD2-CE2 3.67Å; L168-Y172 WeakPolarHBondContact O-CB 3.27Å; L168-Y172 PolarHBondContact O-N 2.73Å; V170-Y172 VanDerWaalsContact C-N 3.32Å; V170-Y172 PolarHBondContact O-N 3.03Å; Y172-I174 VanDerWaalsContact C-N 3.32Å; Y172-I174 PolarHBondContact O-N 3.12Å; Y172-I294 HydrophobicContact CE2-CD1 3.97Å; Y172-I294 WeakPolarHBondContact OH-CD1 3.16Å; Y172-A329 HydrophobicContact CD1-CB 4.43Å; Y172-A329 HydrophobicContact CD2-CB 3.69Å; Y172-A329 HydrophobicContact CE2-CB 4.14Å; Y172-A329 HydrophobicContact CG-CB 3.86Å; Y172-K332 HydrophobicContact CD1-CD 4.39Å; Y172-K332 PolarHBondContact O-NZ 3.2Å; Y172-A333 HydrophobicContact CE1-CB 3.95Å
173E98.6Very high98.7Very high161 Ų16143.6 Ų43.675%0.75222%0.216SC*.THydrogen-bonded Turntrans55.245.4178.6-54.6175.1140.200112.5A169 V170A169-E173 WeakPolarHBondContact O-CA 3.38Å; A169-E173 PolarHBondContact O-N 3.44Å; V170-E173 PolarHBondContact O-N 3.03Å
174I98.8Very high98.7Very high15 Ų1544.2 Ų44.28%0.07722%0.218CC..  trans-93.2121.9-179.8-59.4160.2000108.1A169 Y172 D178 A325 L328 A329A169-I174 HydrophobicContact CB-CB 4.45Å; A169-I174 PolarHBondContact O-N 2.85Å; Y172-I174 VanDerWaalsContact C-N 3.32Å; Y172-I174 PolarHBondContact O-N 3.12Å; I174-D178 HydrophobicContact CG2-CB 4.02Å; I174-A325 VanDerWaalsContact CD1-O 3.25Å; I174-A325 WeakPolarHBondContact CD1-O 3.44Å; I174-L328 HydrophobicContact CD1-CB 3.79Å; I174-L328 HydrophobicContact CG1-CB 4.29Å; I174-L328 HydrophobicContact CG2-CB 4.16Å; I174-L328 HydrophobicContact CG2-CD1 3.65Å; I174-A329 HydrophobicContact CD1-CB 3.83Å
175S98.6Very high98.7Very high48 Ų4847.6 Ų47.634%0.33623%0.234SC..  trans-81.4165-179.275.70000112.1D177 D178 C179S175-D177 VanDerWaalsContact C-N 3.26Å; S175-D177 PolarHBondContact O-N 3.13Å; S175-D177 PolarHBondContact OG-N 2.75Å; S175-D178 VanDerWaalsContact CB-OD2 3.31Å; S175-D178 WeakPolarHBondContact CB-OD2 3.49Å; S175-D178 PolarHBondContact N-OD2 2.81Å; S175-D178 PolarHBondContact O-N 2.81Å; S175-D178 PolarHBondContact OG-N 3.13Å; S175-D178 VanDerWaalsContact OG-N 3.08Å; S175-D178 PolarHBondContact OG-OD2 3.23Å; S175-C179 PolarHBondContact O-N 2.89Å; S175-C179 PolarHBondContact O-SG 3.09Å
176R98.6Very high98.7Very high52 Ų5247.6 Ų47.620%0.19623%0.234CC..Hα-helixtrans-59.9-38.6170170.759.3-169.2-76.5-12.1111.9C179 D180 M232 L235 T244R176-C179 WeakPolarHBondContact O-CB 3.42Å; R176-C179 PolarHBondContact O-N 3.33Å; R176-D180 IonicContact CZ-OD1 3.4Å; R176-D180 IonicContact CZ-OD2 3.45Å; R176-D180 VanDerWaalsContact CZ-OD2 3.26Å; R176-D180 IonicContact NE-OD1 2.69Å; R176-D180 PolarHBondContact NE-OD1 2.9Å; R176-D180 IonicContact NE-OD2 3.58Å; R176-D180 PolarHBondContact NE-OD2 3.27Å; R176-D180 IonicContact NH2-OD1 2.74Å; R176-D180 IonicContact NH2-OD2 2.61Å; R176-D180 PolarHBondContact NH2-OD2 3.04Å; R176-D180 PolarHBondContact O-N 2.92Å; R176-M232 PolarHBondContact NH2-O 3.12Å; R176-L235 PolarHBondContact NH1-O 2.85Å; R176-L235 PolarHBondContact NH2-O 3.19Å; R176-T244 HydrophobicContact CB-CG2 4.3Å; R176-T244 WeakPolarHBondContact CD-O 3.48Å
177D98.6Very high98.7Very high84 Ų8447.6 Ų47.645%0.44923%0.234SC..Hα-helixtrans-65.7-40.6179.1179.962.8000111.4S175 C179 D180 K181S175-D177 VanDerWaalsContact C-N 3.26Å; S175-D177 PolarHBondContact O-N 3.13Å; S175-D177 PolarHBondContact OG-N 2.75Å; D177-C179 VanDerWaalsContact C-N 3.31Å; D177-C179 PolarHBondContact O-N 2.82Å; D177-D180 PolarHBondContact O-N 3.01Å; D177-K181 WeakPolarHBondContact O-CB 3.29Å; D177-K181 VanDerWaalsContact O-CG 3.28Å; D177-K181 WeakPolarHBondContact O-CG 3.25Å; D177-K181 PolarHBondContact O-N 3.4Å; D177-K181 IonicContact OD1-NZ 2.62Å; D177-K181 WeakPolarHBondContact OD2-CE 3.38Å; D177-K181 IonicContact OD2-NZ 3.67Å; D177-K181 PolarHBondContact OD2-NZ 3.33Å
178D98.6Very high98.7Very high65 Ų6548.2 Ų48.235%0.34824%0.235SC..Hα-helixtrans-60-42.7173.2-58.4-46.1000111.5I174 S175 K181 Y182 L328I174-D178 HydrophobicContact CG2-CB 4.02Å; S175-D178 VanDerWaalsContact CB-OD2 3.31Å; S175-D178 WeakPolarHBondContact CB-OD2 3.49Å; S175-D178 PolarHBondContact N-OD2 2.81Å; S175-D178 PolarHBondContact O-N 2.81Å; S175-D178 PolarHBondContact OG-N 3.13Å; S175-D178 VanDerWaalsContact OG-N 3.08Å; S175-D178 PolarHBondContact OG-OD2 3.23Å; D178-K181 PolarHBondContact O-N 2.77Å; D178-Y182 WeakPolarHBondContact O-CB 3.36Å; D178-Y182 PolarHBondContact O-N 3.07Å; D178-L328 HydrophobicContact CB-CD1 3.97Å
179C98.8Very high98.7Very high1 Ų149.6 Ų49.61%0.00724%0.241CC..Hα-helixtrans-63.2-45.2178.7-65.10000112.1S175 R176 D177 Y182 A183 N249 A324S175-C179 PolarHBondContact O-N 2.89Å; S175-C179 PolarHBondContact O-SG 3.09Å; R176-C179 WeakPolarHBondContact O-CB 3.42Å; R176-C179 PolarHBondContact O-N 3.33Å; D177-C179 VanDerWaalsContact C-N 3.31Å; D177-C179 PolarHBondContact O-N 2.82Å; C179-Y182 PolarHBondContact O-N 3.49Å; C179-A183 WeakPolarHBondContact O-CB 3.24Å; C179-A183 PolarHBondContact O-N 3.03Å; C179-N249 HydrophobicContact CB-CB 4.35Å; C179-A324 HydrophobicContact CB-CB 3.86Å; C179-A324 WeakPolarHBondContact O-CB 3.28Å
180D98.7Very high98.7Very high6 Ų650.1 Ų50.13%0.03224%0.242CC..Hα-helixtrans-70.8-37.1-179.9-72.42.7000111.4R176 D177 A183 H184 M232 N249R176-D180 IonicContact CZ-OD1 3.4Å; R176-D180 IonicContact CZ-OD2 3.45Å; R176-D180 VanDerWaalsContact CZ-OD2 3.26Å; R176-D180 IonicContact NE-OD1 2.69Å; R176-D180 PolarHBondContact NE-OD1 2.9Å; R176-D180 IonicContact NE-OD2 3.58Å; R176-D180 PolarHBondContact NE-OD2 3.27Å; R176-D180 IonicContact NH2-OD1 2.74Å; R176-D180 IonicContact NH2-OD2 2.61Å; R176-D180 PolarHBondContact NH2-OD2 3.04Å; R176-D180 PolarHBondContact O-N 2.92Å; D177-D180 PolarHBondContact O-N 3.01Å; D180-A183 PolarHBondContact O-N 2.89Å; D180-H184 WeakPolarHBondContact O-CB 3.14Å; D180-H184 PolarHBondContact O-N 3.04Å; D180-M232 HydrophobicContact CB-CB 4.2Å; D180-N249 PolarHBondContact OD1-ND2 3.21Å
181K98.8Very high98.7Very high105 Ų10549 Ų4946%0.45723%0.229SC..Hα-helixtrans-60.2-45.4172.4-77.8170.3175.3168.50112.2D177 D178 H184 Q185 L229D177-K181 WeakPolarHBondContact O-CB 3.29Å; D177-K181 VanDerWaalsContact O-CG 3.28Å; D177-K181 WeakPolarHBondContact O-CG 3.25Å; D177-K181 PolarHBondContact O-N 3.4Å; D177-K181 IonicContact OD1-NZ 2.62Å; D177-K181 WeakPolarHBondContact OD2-CE 3.38Å; D177-K181 IonicContact OD2-NZ 3.67Å; D177-K181 PolarHBondContact OD2-NZ 3.33Å; D178-K181 PolarHBondContact O-N 2.77Å; K181-H184 PolarHBondContact O-N 3.36Å; K181-Q185 WeakPolarHBondContact O-CB 3.4Å; K181-Q185 PolarHBondContact O-N 2.9Å; K181-L229 HydrophobicContact CG-CD2 4.26Å
182Y98.8Very high98.7Very high9 Ų945.7 Ų45.74%0.03523%0.225CC..Hα-helixtrans-65.3-43.8176.2-179.1-106.9000111.9D178 C179 H184 Q185 T186 E321 A324 Y327 L328 N342 I348D178-Y182 WeakPolarHBondContact O-CB 3.36Å; D178-Y182 PolarHBondContact O-N 3.07Å; C179-Y182 PolarHBondContact O-N 3.49Å; Y182-H184 VanDerWaalsContact C-N 3.28Å; Y182-H184 PolarHBondContact O-N 3.06Å; Y182-Q185 WeakPolarHBondContact O-CB 3.42Å; Y182-Q185 PolarHBondContact O-N 3.3Å; Y182-Q185 VanDerWaalsContact O-N 3.11Å; Y182-T186 PolarHBondContact O-N 2.74Å; Y182-E321 HydrophobicContact CE1-CG 4.16Å; Y182-E321 WeakPolarHBondContact OH-CG 3.39Å; Y182-E321 PolarHBondContact OH-OE1 2.85Å; Y182-A324 HydrophobicContact CD1-CB 3.85Å; Y182-Y327 AromaticContact CD1-CD1 3.88Å; Y182-Y327 HydrophobicContact CD1-CD1 3.88Å; Y182-Y327 HydrophobicContact CD1-CE1 4.47Å; Y182-Y327 HydrophobicContact CD1-CG 4.49Å; Y182-Y327 AromaticContact CD2-CD1 3.86Å; Y182-Y327 HydrophobicContact CD2-CD1 3.86Å; Y182-Y327 AromaticContact CD2-CE1 3.61Å; Y182-Y327 HydrophobicContact CD2-CE1 3.61Å; Y182-Y327 AromaticContact CE1-CD1 3.37Å; Y182-Y327 HydrophobicContact CE1-CD1 3.37Å; Y182-Y327 HydrophobicContact CE1-CD2 4.44Å; Y182-Y327 AromaticContact CE1-CE1 3.96Å; Y182-Y327 HydrophobicContact CE1-CE1 3.96Å; Y182-Y327 AromaticContact CE1-CG 3.66Å; Y182-Y327 HydrophobicContact CE1-CG 3.66Å; Y182-Y327 AromaticContact CE2-CD1 3.38Å; Y182-Y327 HydrophobicContact CE2-CD1 3.38Å; Y182-Y327 AromaticContact CE2-CE1 3Å; Y182-Y327 HydrophobicContact CE2-CE1 3Å; Y182-Y327 HydrophobicContact CE2-CE2 4.35Å; Y182-Y327 HydrophobicContact CE2-CG 4.2Å; Y182-Y327 AromaticContact CE2-CZ 3.55Å; Y182-Y327 HydrophobicContact CG-CD1 4.08Å; Y182-Y327 HydrophobicContact CG-CE1 4.3Å; Y182-Y327 AromaticContact CZ-CD1 3.08Å; Y182-Y327 AromaticContact CZ-CD2 3.91Å; Y182-Y327 AromaticContact CZ-CE1 3.19Å; Y182-Y327 AromaticContact CZ-CE2 3.97Å; Y182-Y327 AromaticContact CZ-CG 3.47Å; Y182-Y327 VanDerWaalsContact CZ-CG 3.47Å; Y182-Y327 AromaticContact CZ-CZ 3.62Å; Y182-Y327 WeakPolarHBondContact OH-CD1 3.14Å; Y182-Y327 VanDerWaalsContact OH-CD2 3.23Å; Y182-Y327 WeakPolarHBondContact OH-CD2 3.48Å; Y182-Y327 WeakPolarHBondContact OH-CE1 3.17Å; Y182-Y327 VanDerWaalsContact OH-CE2 3.22Å; Y182-Y327 WeakPolarHBondContact OH-CE2 3.25Å; Y182-Y327 VanDerWaalsContact OH-CG 3.27Å; Y182-Y327 VanDerWaalsContact OH-CZ 3.28Å; Y182-L328 HydrophobicContact CD2-CD2 4.44Å; Y182-L328 HydrophobicContact CG-CD2 4.36Å; Y182-L328 HydrophobicContact CG-CG 4.46Å; Y182-N342 PolarHBondContact OH-ND2 3.05Å; Y182-I348 HydrophobicContact CD1-CD1 4.03Å; Y182-I348 HydrophobicContact CE1-CD1 3.94Å
183A98.7Very high98.7Very high0 Ų043.5 Ų43.50%022%0.216CC..Hα-helixtrans-62-35176.400000112.8C179 D180 T186 Q187 M232 A248 N249 I348C179-A183 WeakPolarHBondContact O-CB 3.24Å; C179-A183 PolarHBondContact O-N 3.03Å; D180-A183 PolarHBondContact O-N 2.89Å; A183-T186 WeakPolarHBondContact O-CG2 3.24Å; A183-Q187 WeakPolarHBondContact O-CG 3.18Å; A183-Q187 PolarHBondContact O-N 2.85Å; A183-M232 HydrophobicContact CB-CE 4.44Å; A183-M232 HydrophobicContact CB-SD 4.09Å; A183-A248 WeakPolarHBondContact CB-O 3.32Å; A183-N249 HydrophobicContact CB-CB 3.62Å; A183-I348 HydrophobicContact CB-CG2 4.03Å
184H98.8Very high98.6Very high51 Ų5138.6 Ų38.624%0.23619%0.193CC..Hα-helixtrans-67.7-46.1171179.3-95.1000111.4D180 K181 Y182 T186 Q187 Q188 T227 L229 M232D180-H184 WeakPolarHBondContact O-CB 3.14Å; D180-H184 PolarHBondContact O-N 3.04Å; K181-H184 PolarHBondContact O-N 3.36Å; Y182-H184 VanDerWaalsContact C-N 3.28Å; Y182-H184 PolarHBondContact O-N 3.06Å; H184-T186 PolarHBondContact O-N 2.95Å; H184-Q187 PolarHBondContact O-N 3.29Å; H184-Q188 PolarHBondContact NE2-NE2 3.08Å; H184-Q188 WeakPolarHBondContact O-CG 3.35Å; H184-Q188 PolarHBondContact O-N 3.47Å; H184-Q188 VanDerWaalsContact O-N 3.07Å; H184-T227 PolarHBondContact CD2-O 2.99Å; H184-T227 VanDerWaalsContact CD2-O 3.31Å; H184-L229 HydrophobicContact CB-CD2 3.56Å; H184-L229 HydrophobicContact CB-CG 4.17Å; H184-M232 HydrophobicContact CB-CE 4.18Å; H184-M232 HydrophobicContact CB-SD 4.1Å
185Q98.5Very high98.6Very high71 Ų7144.5 Ų44.533%0.33222%0.221SC..Hα-helixtrans-56.9-47.8179.5-177.9-178.155.400112.1K181 Y182 Q187 Q188 R189K181-Q185 WeakPolarHBondContact O-CB 3.4Å; K181-Q185 PolarHBondContact O-N 2.9Å; Y182-Q185 WeakPolarHBondContact O-CB 3.42Å; Y182-Q185 PolarHBondContact O-N 3.3Å; Y182-Q185 VanDerWaalsContact O-N 3.11Å; Q185-Q187 VanDerWaalsContact C-N 3.32Å; Q185-Q187 PolarHBondContact O-N 3.11Å; Q185-Q188 PolarHBondContact O-N 2.88Å; Q185-Q188 VanDerWaalsContact O-N 3.12Å; Q185-R189 HydrophobicContact CG-CG 4.39Å; Q185-R189 WeakPolarHBondContact O-CG 3.29Å; Q185-R189 PolarHBondContact O-N 3.02Å
186T98.6Very high98.6Very high2 Ų245.4 Ų45.41%0.01223%0.231CC..Hα-helixtrans-65.6-33.1-179-169.40000112.6Y182 A183 H184 R189 W190 E321 G345 G346 I348Y182-T186 PolarHBondContact O-N 2.74Å; A183-T186 WeakPolarHBondContact O-CG2 3.24Å; H184-T186 PolarHBondContact O-N 2.95Å; T186-R189 PolarHBondContact O-N 2.61Å; T186-W190 WeakPolarHBondContact O-CB 3.33Å; T186-W190 PolarHBondContact O-N 2.74Å; T186-E321 WeakPolarHBondContact CB-OE1 3.49Å; T186-E321 VanDerWaalsContact OG1-CD 3.25Å; T186-E321 PolarHBondContact OG1-OE1 3.02Å; T186-E321 PolarHBondContact OG1-OE2 2.96Å; T186-G345 VanDerWaalsContact OG1-CA 3.25Å; T186-G345 WeakPolarHBondContact OG1-CA 3.33Å; T186-G346 PolarHBondContact OG1-N 2.77Å; T186-I348 HydrophobicContact CG2-CB 3.71Å; T186-I348 HydrophobicContact CG2-CD1 4.44Å; T186-I348 HydrophobicContact CG2-CG2 3.77Å
187Q98.8Very high98.6Very high3 Ų344.3 Ų44.31%0.01424%0.236CC..Hα-helixtrans-64.9-40.4171.2-66.2-73.9-4.800112.1A183 H184 Q185 K191 M232 I348A183-Q187 WeakPolarHBondContact O-CG 3.18Å; A183-Q187 PolarHBondContact O-N 2.85Å; H184-Q187 PolarHBondContact O-N 3.29Å; Q185-Q187 VanDerWaalsContact C-N 3.32Å; Q185-Q187 PolarHBondContact O-N 3.11Å; Q187-K191 WeakPolarHBondContact O-CB 3.41Å; Q187-K191 PolarHBondContact O-N 3Å; Q187-K191 VanDerWaalsContact O-N 3.09Å; Q187-M232 HydrophobicContact CG-CE 4.43Å; Q187-I348 PolarHBondContact NE2-O 3.2Å
188Q98.6Very high98.6Very high64 Ų6442 Ų4230%0.29922%0.222SC..Hα-helixtrans-70.9-38176.8-61.1-47.6-41.900112.4H184 Q185 K191 A192 P225H184-Q188 PolarHBondContact NE2-NE2 3.08Å; H184-Q188 WeakPolarHBondContact O-CG 3.35Å; H184-Q188 PolarHBondContact O-N 3.47Å; H184-Q188 VanDerWaalsContact O-N 3.07Å; Q185-Q188 PolarHBondContact O-N 2.88Å; Q185-Q188 VanDerWaalsContact O-N 3.12Å; Q188-K191 WeakPolarHBondContact O-CB 3.26Å; Q188-K191 PolarHBondContact O-N 3.28Å; Q188-A192 WeakPolarHBondContact O-CB 3.22Å; Q188-A192 PolarHBondContact O-N 2.89Å; Q188-P225 PolarHBondContact NE2-O 2.85Å
189R98.7Very high98.6Very high30 Ų3039.1 Ų39.111%0.11321%0.207CC..Hα-helixtrans-63.4-47.3175.1-75.7178.9171.5-174.1-2.9111.7Q185 T186 K191 A192 A193 P338 E339 S341 N342 A343Q185-R189 HydrophobicContact CG-CG 4.39Å; Q185-R189 WeakPolarHBondContact O-CG 3.29Å; Q185-R189 PolarHBondContact O-N 3.02Å; T186-R189 PolarHBondContact O-N 2.61Å; R189-K191 VanDerWaalsContact C-N 3.27Å; R189-K191 PolarHBondContact O-N 2.95Å; R189-A192 PolarHBondContact O-N 2.8Å; R189-A193 VanDerWaalsContact O-CB 3.31Å; R189-A193 WeakPolarHBondContact O-CB 3.44Å; R189-A193 PolarHBondContact O-N 2.96Å; R189-P338 PolarHBondContact NH1-O 2.92Å; R189-P338 VanDerWaalsContact NH1-O 3.14Å; R189-P338 PolarHBondContact NH2-O 3.14Å; R189-E339 IonicContact NH2-OE1 3.9Å; R189-S341 PolarHBondContact NH1-O 2.88Å; R189-N342 WeakPolarHBondContact CD-O 3.49Å; R189-N342 PolarHBondContact NH1-O 3.19Å; R189-A343 WeakPolarHBondContact CB-O 3.48Å; R189-A343 VanDerWaalsContact CD-O 3.3Å; R189-A343 WeakPolarHBondContact CD-O 3.47Å; R189-A343 WeakPolarHBondContact CG-O 3.38Å
190W98.7Very high98.6Very high14 Ų1444.2 Ų44.25%0.05324%0.238CC..Hα-helixtrans-55.9-45.1173.3172.984.1000111.5T186 A193 H194 Y199 P223 P225 D344 A349 I350T186-W190 WeakPolarHBondContact O-CB 3.33Å; T186-W190 PolarHBondContact O-N 2.74Å; W190-A193 PolarHBondContact O-N 2.86Å; W190-H194 HydrophobicContact CH2-CB 4.36Å; W190-H194 HydrophobicContact CZ2-CB 4.08Å; W190-H194 AromaticContact CZ2-CG 3.94Å; W190-H194 WeakPolarHBondContact O-CB 3.39Å; W190-H194 PolarHBondContact O-N 2.75Å; W190-Y199 AromaticContact CD1-CE2 3.67Å; W190-Y199 AromaticContact CD1-CZ 3.85Å; W190-Y199 VanDerWaalsContact CD1-OH 3.29Å; W190-Y199 AromaticContact NE1-CE2 3.75Å; W190-P223 HydrophobicContact CD2-CB 3.46Å; W190-P223 VanDerWaalsContact CD2-CB 3.46Å; W190-P223 HydrophobicContact CD2-CG 3.54Å; W190-P223 HydrophobicContact CE3-CB 3.33Å; W190-P223 HydrophobicContact CE3-CG 3.97Å; W190-P223 HydrophobicContact CG-CB 4.28Å; W190-P223 HydrophobicContact CG-CG 4.13Å; W190-P223 HydrophobicContact CH2-CB 3.54Å; W190-P223 HydrophobicContact CH2-CG 3.87Å; W190-P223 HydrophobicContact CZ2-CB 3.66Å; W190-P223 HydrophobicContact CZ2-CG 3.43Å; W190-P223 VanDerWaalsContact CZ2-CG 3.43Å; W190-P223 HydrophobicContact CZ3-CB 3.38Å; W190-P223 HydrophobicContact CZ3-CG 4.13Å; W190-P225 HydrophobicContact CE3-CB 4.43Å; W190-P225 HydrophobicContact CZ3-CB 4.31Å; W190-P225 HydrophobicContact CZ3-CG 3.94Å; W190-D344 VanDerWaalsContact CA-O 3.3Å; W190-D344 WeakPolarHBondContact CA-O 3.24Å; W190-D344 PolarHBondContact N-O 2.95Å; W190-A349 HydrophobicContact CB-CB 3.73Å; W190-A349 HydrophobicContact CG-CB 4.09Å; W190-I350 HydrophobicContact CG-CG2 4.11Å
191K98.6Very high98.5Very high75 Ų7546.3 Ų46.333%0.32626%0.256SS..Hα-helixtrans-59.2-51.4179.1-170.7-163.5177.61760111.2Q187 Q188 R189 H194 E195 P225Q187-K191 WeakPolarHBondContact O-CB 3.41Å; Q187-K191 PolarHBondContact O-N 3Å; Q187-K191 VanDerWaalsContact O-N 3.09Å; Q188-K191 WeakPolarHBondContact O-CB 3.26Å; Q188-K191 PolarHBondContact O-N 3.28Å; R189-K191 VanDerWaalsContact C-N 3.27Å; R189-K191 PolarHBondContact O-N 2.95Å; K191-H194 PolarHBondContact O-N 3.3Å; K191-E195 WeakPolarHBondContact CE-OE1 3.41Å; K191-E195 IonicContact NZ-OE1 2.63Å; K191-E195 WeakPolarHBondContact O-CB 3.11Å; K191-E195 WeakPolarHBondContact O-CG 3.4Å; K191-E195 PolarHBondContact O-N 2.83Å; K191-P225 HydrophobicContact CB-CB 3.8Å; K191-P225 HydrophobicContact CD-CB 3.92Å; K191-P225 HydrophobicContact CG-CB 3.87Å; K191-P225 HydrophobicContact CG-CG 4.5Å
192A98.6Very high98.5Very high56 Ų5641.3 Ų41.346%0.46324%0.235SC..Hα-helixtrans-61.7-45.3-178.800000111.5Q188 R189 H194 E195 A196Q188-A192 WeakPolarHBondContact O-CB 3.22Å; Q188-A192 PolarHBondContact O-N 2.89Å; R189-A192 PolarHBondContact O-N 2.8Å; A192-H194 PolarHBondContact O-N 3.15Å; A192-E195 PolarHBondContact O-N 3.45Å; A192-A196 WeakPolarHBondContact O-CB 3.37Å; A192-A196 PolarHBondContact O-N 2.75Å
193A98.6Very high98.5Very high1 Ų141.6 Ų41.61%0.00824%0.236CC..Hα-helixtrans-63.3-40.9177.400000112.3R189 W190 A196 G197 H198 Y199 D344R189-A193 VanDerWaalsContact O-CB 3.31Å; R189-A193 WeakPolarHBondContact O-CB 3.44Å; R189-A193 PolarHBondContact O-N 2.96Å; W190-A193 PolarHBondContact O-N 2.86Å; A193-A196 PolarHBondContact O-N 2.93Å; A193-G197 PolarHBondContact O-N 3.06Å; A193-H198 HydrophobicContact CB-CB 4.1Å; A193-H198 WeakPolarHBondContact O-CB 3.39Å; A193-H198 PolarHBondContact O-N 3.41Å; A193-Y199 HydrophobicContact CB-CE2 3.94Å; A193-D344 HydrophobicContact CB-CB 3.55Å; A193-D344 WeakPolarHBondContact CB-OD1 3.22Å
194H98.1Very high98.5Very high58 Ų5841.8 Ų41.827%0.26924%0.238SC..Hα-helixtrans-64-49175.9178.768000111.7W190 K191 A192 A196 G197 Y199W190-H194 HydrophobicContact CH2-CB 4.36Å; W190-H194 HydrophobicContact CZ2-CB 4.08Å; W190-H194 AromaticContact CZ2-CG 3.94Å; W190-H194 WeakPolarHBondContact O-CB 3.39Å; W190-H194 PolarHBondContact O-N 2.75Å; K191-H194 PolarHBondContact O-N 3.3Å; A192-H194 PolarHBondContact O-N 3.15Å; H194-A196 VanDerWaalsContact C-N 3.3Å; H194-A196 PolarHBondContact O-N 2.98Å; H194-G197 PolarHBondContact O-N 3.34Å; H194-Y199 HydrophobicContact CB-CD2 4.24Å; H194-Y199 HydrophobicContact CB-CE2 4.14Å
195E98.3Very high98.4Very high140 Ų14042.4 Ų42.465%0.65425%0.246SC*.Hα-helixtrans-64.8-33.2178.4-72.3176.3169.500112.3K191 A192 G197K191-E195 WeakPolarHBondContact CE-OE1 3.41Å; K191-E195 IonicContact NZ-OE1 2.63Å; K191-E195 WeakPolarHBondContact O-CB 3.11Å; K191-E195 WeakPolarHBondContact O-CG 3.4Å; K191-E195 PolarHBondContact O-N 2.83Å; A192-E195 PolarHBondContact O-N 3.45Å; E195-G197 VanDerWaalsContact C-N 3.27Å; E195-G197 PolarHBondContact O-N 2.8Å
196A98.4Very high98.4Very high67 Ų6739.3 Ų39.355%0.55423%0.232SC*.THydrogen-bonded Turntrans-81-3.7174.100000113.7A192 A193 H194 H198A192-A196 WeakPolarHBondContact O-CB 3.37Å; A192-A196 PolarHBondContact O-N 2.75Å; A193-A196 PolarHBondContact O-N 2.93Å; H194-A196 VanDerWaalsContact C-N 3.3Å; H194-A196 PolarHBondContact O-N 2.98Å; A196-H198 VanDerWaalsContact CB-NE2 3.31Å; A196-H198 WeakPolarHBondContact CB-NE2 3.39Å
197G98.3Very high98.2Very high29 Ų2943.8 Ų43.830%0.29926%0.256SS..THydrogen-bonded Turntrans75.419.6175.500000115.3A193 H194 E195 Y199 T200A193-G197 PolarHBondContact O-N 3.06Å; H194-G197 PolarHBondContact O-N 3.34Å; E195-G197 VanDerWaalsContact C-N 3.27Å; E195-G197 PolarHBondContact O-N 2.8Å; G197-Y199 PolarHBondContact O-N 2.71Å; G197-T200 VanDerWaalsContact O-CB 3.26Å; G197-T200 WeakPolarHBondContact O-CB 3.48Å; G197-T200 PolarHBondContact O-N 2.77Å; G197-T200 PolarHBondContact O-OG1 2.99Å
198H98.6Very high97.9Very high34 Ų3444.1 Ų44.116%0.15726%0.258CS..G310 helixtrans-59.3-33.6-177.2-62.2-175.4000112.4A193 A196 T200 D344 R371A193-H198 HydrophobicContact CB-CB 4.1Å; A193-H198 WeakPolarHBondContact O-CB 3.39Å; A193-H198 PolarHBondContact O-N 3.41Å; A196-H198 VanDerWaalsContact CB-NE2 3.31Å; A196-H198 WeakPolarHBondContact CB-NE2 3.39Å; H198-T200 VanDerWaalsContact C-N 3.32Å; H198-T200 PolarHBondContact O-N 2.85Å; H198-D344 WeakPolarHBondContact CB-OD2 3.23Å; H198-D344 IonicContact CE1-OD1 2.83Å; H198-D344 IonicContact CG-OD2 3.78Å; H198-D344 VanDerWaalsContact ND1-CG 3.29Å; H198-D344 IonicContact ND1-OD1 3.72Å; H198-D344 PolarHBondContact ND1-OD1 2.7Å; H198-D344 IonicContact ND1-OD2 3.26Å; H198-D344 PolarHBondContact ND1-OD2 3.34Å; H198-R371 PolarHBondContact CE1-NH2 3.44Å
199Y98.5Very high97.4Very high6 Ų649.3 Ų49.32%0.02428%0.28CS..G310 helixtrans-82.3-3179.2-50.7-59.3000115.1W190 A193 H194 G197 A201 E202 I203 D344 H364W190-Y199 AromaticContact CD1-CE2 3.67Å; W190-Y199 AromaticContact CD1-CZ 3.85Å; W190-Y199 VanDerWaalsContact CD1-OH 3.29Å; W190-Y199 AromaticContact NE1-CE2 3.75Å; A193-Y199 HydrophobicContact CB-CE2 3.94Å; H194-Y199 HydrophobicContact CB-CD2 4.24Å; H194-Y199 HydrophobicContact CB-CE2 4.14Å; G197-Y199 PolarHBondContact O-N 2.71Å; Y199-A201 VanDerWaalsContact C-N 3.28Å; Y199-A201 PolarHBondContact O-N 2.99Å; Y199-E202 HydrophobicContact CD1-CG 4.47Å; Y199-E202 WeakPolarHBondContact O-CG 3.16Å; Y199-E202 PolarHBondContact O-N 3.42Å; Y199-I203 WeakPolarHBondContact O-CG1 3.47Å; Y199-I203 PolarHBondContact O-N 3.07Å; Y199-D344 HydrophobicContact CE1-CB 4.26Å; Y199-D344 PolarHBondContact OH-O 3.29Å; Y199-H364 AromaticContact CD1-ND1 3.89Å; Y199-H364 AromaticContact CE1-CE1 3.75Å; Y199-H364 AromaticContact CE1-ND1 3.85Å
200T98Very high96.8Very high107 Ų10750.1 Ų50.166%0.65629%0.293SS*.G310 helixtrans-60.6-40.6-173.6-54.50000111.5G197 H198 E202G197-T200 VanDerWaalsContact O-CB 3.26Å; G197-T200 WeakPolarHBondContact O-CB 3.48Å; G197-T200 PolarHBondContact O-N 2.77Å; G197-T200 PolarHBondContact O-OG1 2.99Å; H198-T200 VanDerWaalsContact C-N 3.32Å; H198-T200 PolarHBondContact O-N 2.85Å; T200-E202 VanDerWaalsContact C-N 3.34Å; T200-E202 PolarHBondContact O-N 3.08Å
201A97.7Very high96.1Very high51 Ų5159.9 Ų59.942%0.42134%0.336SS..THydrogen-bonded Turntrans-70-29-178.800000112.8K13 Y199 H367K13-A201 WeakPolarHBondContact CD-O 3.4Å; K13-A201 PolarHBondContact NZ-O 2.76Å; Y199-A201 VanDerWaalsContact C-N 3.28Å; Y199-A201 PolarHBondContact O-N 2.99Å; A201-H367 HydrophobicContact CB-CB 4.28Å
202E98.4Very high95.4Very high0 Ų066.3 Ų66.30%036%0.364CS..THydrogen-bonded Turntrans-92.9-33.1-17763179.1-109.900113.7K13 R14 Y199 T200 A204 H364K13-E202 CarbonylContact C-O 3.49Å; K13-E202 WeakPolarHBondContact CA-O 3.32Å; K13-E202 WeakPolarHBondContact CE-O 3.38Å; K13-E202 PolarHBondContact NZ-O 3.34Å; R14-E202 HydrophobicContact CG-CB 4.1Å; R14-E202 HydrophobicContact CG-CG 4.11Å; R14-E202 IonicContact CZ-OE1 2.65Å; R14-E202 PolarHBondContact N-O 3.17Å; R14-E202 IonicContact NE-OE1 3.55Å; R14-E202 PolarHBondContact NE-OE1 3.37Å; R14-E202 IonicContact NH2-OE1 2.96Å; Y199-E202 HydrophobicContact CD1-CG 4.47Å; Y199-E202 WeakPolarHBondContact O-CG 3.16Å; Y199-E202 PolarHBondContact O-N 3.42Å; T200-E202 VanDerWaalsContact C-N 3.34Å; T200-E202 PolarHBondContact O-N 3.08Å; E202-A204 PolarHBondContact O-N 3.43Å; E202-H364 VanDerWaalsContact OE2-CA 3.24Å; E202-H364 WeakPolarHBondContact OE2-CA 3.42Å; E202-H364 WeakPolarHBondContact OE2-CB 3.42Å; E202-H364 IonicContact OE2-CE1 3.58Å; E202-H364 IonicContact OE2-CG 3.18Å; E202-H364 IonicContact OE2-ND1 2.94Å; E202-H364 PolarHBondContact OE2-ND1 3.34Å
203I98.7Very high95Very high14 Ų1465.7 Ų65.77%0.07236%0.363CS..BIsolated β-bridgetrans-68.5131.7-175-73177.6000111.5K13 R14 P16 Y199 P205 T218K13-I203 WeakPolarHBondContact CE-O 3.36Å; K13-I203 PolarHBondContact NZ-O 3.19Å; R14-I203 CarbonylContact O-C 3.45Å; R14-I203 WeakPolarHBondContact O-CA 3.45Å; P16-I203 HydrophobicContact CG-CG2 4.1Å; Y199-I203 WeakPolarHBondContact O-CG1 3.47Å; Y199-I203 PolarHBondContact O-N 3.07Å; I203-P205 HydrophobicContact CG2-CG 4.33Å; I203-T218 VanDerWaalsContact CD1-O 3.27Å; I203-T218 WeakPolarHBondContact CD1-O 3.33Å
204A98.5Very high94.6Very high4 Ų473.1 Ų73.13%0.03340%0.395CS..  trans-105.898.1167.200000108.6R14 P16 H35 A39 E202R14-A204 PolarHBondContact O-N 2.88Å; P16-A204 VanDerWaalsContact CD-O 3.23Å; P16-A204 WeakPolarHBondContact CD-O 3.39Å; H35-A204 PolarHBondContact NE2-O 3.2Å; A39-A204 HydrophobicContact CB-CB 3.38Å; E202-A204 PolarHBondContact O-N 3.43Å
205P98Very high94.4Very high64 Ų6473.5 Ų73.542%0.41640%0.401SS..  trans-57.6138.2-174.9-26.335.7000113.1H35 I203 P216 M217 T218H35-P205 PolarHBondContact CE1-O 3.44Å; H35-P205 PolarHBondContact NE2-O 2.91Å; I203-P205 HydrophobicContact CG2-CG 4.33Å; P205-P216 HydrophobicContact CB-CB 4.45Å; P205-M217 VanDerWaalsContact CA-O 3.22Å; P205-M217 WeakPolarHBondContact CA-O 3.24Å; P205-T218 HydrophobicContact CB-CG2 3.89Å; P205-T218 HydrophobicContact CG-CG2 3.99Å
206I97.3Very high94.3Very high7 Ų770.6 Ų70.64%0.03640%0.395CS..EExtended strand (participates in β ladder)trans-110.5129.5178.3-67.1175.4000109.7T15 L24 L32 H35 V208 M217T15-I206 HydrophobicContact CG2-CD1 3.68Å; L24-I206 HydrophobicContact CD1-CD1 4.46Å; L24-I206 HydrophobicContact CD2-CB 4.48Å; L24-I206 HydrophobicContact CD2-CD1 4.09Å; L24-I206 HydrophobicContact CD2-CG2 4.1Å; L32-I206 HydrophobicContact CD2-CD1 3.78Å; H35-I206 WeakPolarHBondContact CD2-CG1 3.5Å; H35-I206 VanDerWaalsContact NE2-CG1 3.34Å; H35-I206 WeakPolarHBondContact NE2-CG1 3.34Å; I206-V208 HydrophobicContact CG2-CG1 4.11Å; I206-V208 PolarHBondContact O-N 2.87Å; I206-M217 PolarHBondContact N-O 3.48Å; I206-M217 VanDerWaalsContact N-O 3.09Å; I206-M217 WeakPolarHBondContact O-CB 3.41Å; I206-M217 PolarHBondContact O-N 3.28Å
207D94.4Very high94.2Very high96 Ų9668.2 Ų68.251%0.51337%0.372SS..EExtended strand (participates in β ladder)trans-71.3112.8171-77.8-20000111.2K214D207-K214 HydrophobicContact CB-CB 4.32Å; D207-K214 HydrophobicContact CB-CD 4.2Å
208V92.9Very high94.1Very high10 Ų1070.1 Ų70.16%0.06138%0.378CS..EExtended strand (participates in β ladder)trans-107153.9178.8-63.10000111.6V23 L24 I206 A210 K214 V215 M217V23-V208 HydrophobicContact CB-CB 4.43Å; V23-V208 HydrophobicContact CB-CG1 4.29Å; V23-V208 HydrophobicContact CG2-CG1 4.26Å; L24-V208 HydrophobicContact CD2-CG1 3.86Å; I206-V208 HydrophobicContact CG2-CG1 4.11Å; I206-V208 PolarHBondContact O-N 2.87Å; V208-A210 PolarHBondContact O-N 3.22Å; V208-K214 WeakPolarHBondContact O-CA 3.34Å; V208-V215 HydrophobicContact CG2-CG2 3.96Å; V208-V215 WeakPolarHBondContact CG2-O 3.35Å; V208-V215 PolarHBondContact N-O 3.12Å; V208-V215 PolarHBondContact O-N 3.27Å; V208-M217 HydrophobicContact CG1-CB 3.99Å; V208-M217 HydrophobicContact CG1-SD 4.42Å; V208-M217 HydrophobicContact CG2-CB 4.13Å
209K88.3Confident94Very high173 Ų17373 Ų7375%0.75239%0.392SS*.EExtended strand (participates in β ladder)trans-69.7129.6176.6-67.7176.7-173.81640110.3
210A85.4Confident94Very high46 Ų4673 Ų7338%0.3839%0.392SS..EExtended strand (participates in β ladder)trans-125.2168.7169.300000110.8V208 K212 G213 V215V208-A210 PolarHBondContact O-N 3.22Å; A210-K212 PolarHBondContact O-N 3.29Å; A210-G213 CarbonylContact C-O 3.43Å; A210-G213 WeakPolarHBondContact CA-O 3.23Å; A210-G213 PolarHBondContact N-O 3.45Å; A210-G213 PolarHBondContact O-N 3.03Å; A210-G213 VanDerWaalsContact O-O 3.09Å; A210-V215 HydrophobicContact CB-CG1 4.02Å; A210-V215 HydrophobicContact CB-CG2 3.81Å
211K83.6Confident94Very high220 Ų22071.1 Ų71.196%0.95738%0.376SS*.THydrogen-bonded Turntrans-55.3-26.4179.7-68.5-175.3179.7179.20113.7
212K84.8Confident94.1Very high210 Ų21069.7 Ų69.791%0.91336%0.36SS*.THydrogen-bonded Turntrans-118.837.8-177.9-65.3-172.7178-178.20113A210A210-K212 PolarHBondContact O-N 3.29Å
213G89.4Confident94.1Very high43 Ų4370.4 Ų70.444%0.44337%0.365SS..EExtended strand (participates in β ladder)trans108-153.5177.500000112.9A210A210-G213 CarbonylContact C-O 3.43Å; A210-G213 WeakPolarHBondContact CA-O 3.23Å; A210-G213 PolarHBondContact N-O 3.45Å; A210-G213 PolarHBondContact O-N 3.03Å; A210-G213 VanDerWaalsContact O-O 3.09Å
214K91.8Very high94Very high156 Ų15673.9 Ų73.968%0.67838%0.377SS*.EExtended strand (participates in β ladder)trans-90.9139.1177.8-68.3-177.6174.9-170.10110.5D207 V208D207-K214 HydrophobicContact CB-CB 4.32Å; D207-K214 HydrophobicContact CB-CD 4.2Å; V208-K214 WeakPolarHBondContact O-CA 3.34Å
215V93.7Very high93.8Very high66 Ų6675 Ų7540%0.438%0.384SS..EExtended strand (participates in β ladder)trans-129.7143.8172-62.50000109.3V208 A210 M217V208-V215 HydrophobicContact CG2-CG2 3.96Å; V208-V215 WeakPolarHBondContact CG2-O 3.35Å; V208-V215 PolarHBondContact N-O 3.12Å; V208-V215 PolarHBondContact O-N 3.27Å; A210-V215 HydrophobicContact CB-CG1 4.02Å; A210-V215 HydrophobicContact CB-CG2 3.81Å; V215-M217 PolarHBondContact O-N 2.82Å
216P95.4Very high93.7Very high80 Ų8078.6 Ų78.652%0.51940%0.395SS..EExtended strand (participates in β ladder)trans-73.3125.1177.630-34.1000110.1P205 T218P205-P216 HydrophobicContact CB-CB 4.45Å; P216-T218 HydrophobicContact CB-CG2 4.16Å
217M96.8Very high93.4Very high16 Ų1679.4 Ų79.48%0.07940%0.401CS..EExtended strand (participates in β ladder)trans-79.8113.8162-175.9-175.9-175.300107.7P16 F17 V23 L24 P205 I206 V208 V215 Q219 E221P16-M217 HydrophobicContact CB-CE 3.59Å; P16-M217 HydrophobicContact CB-CG 3.72Å; P16-M217 HydrophobicContact CB-SD 3.67Å; P16-M217 HydrophobicContact CG-CB 4.35Å; P16-M217 HydrophobicContact CG-CG 3.89Å; P16-M217 WeakPolarHBondContact CG-O 3.19Å; P16-M217 HydrophobicContact CG-SD 4.27Å; F17-M217 WeakPolarHBondContact O-CE 3.11Å; V23-M217 HydrophobicContact CG2-CE 3.76Å; V23-M217 HydrophobicContact CG2-CG 4.48Å; V23-M217 HydrophobicContact CG2-SD 3.34Å; V23-M217 WeakPolarHBondContact CG2-SD 3.01Å; L24-M217 HydrophobicContact CD1-SD 4.26Å; L24-M217 HydrophobicContact CD2-SD 3.92Å; L24-M217 HydrophobicContact CG-SD 3.99Å; P205-M217 VanDerWaalsContact CA-O 3.22Å; P205-M217 WeakPolarHBondContact CA-O 3.24Å; I206-M217 PolarHBondContact N-O 3.48Å; I206-M217 VanDerWaalsContact N-O 3.09Å; I206-M217 WeakPolarHBondContact O-CB 3.41Å; I206-M217 PolarHBondContact O-N 3.28Å; V208-M217 HydrophobicContact CG1-CB 3.99Å; V208-M217 HydrophobicContact CG1-SD 4.42Å; V208-M217 HydrophobicContact CG2-CB 4.13Å; V215-M217 PolarHBondContact O-N 2.82Å; M217-Q219 WeakPolarHBondContact CE-O 3.44Å; M217-E221 HydrophobicContact CE-CB 3.76Å
218T96.6Very high93.6Very high70 Ų7077.3 Ų77.343%0.42939%0.391SS..  trans-116.22.6-177.555.70000113I203 P205 P216I203-T218 VanDerWaalsContact CD1-O 3.27Å; I203-T218 WeakPolarHBondContact CD1-O 3.33Å; P205-T218 HydrophobicContact CB-CG2 3.89Å; P205-T218 HydrophobicContact CG-CG2 3.99Å; P216-T218 HydrophobicContact CB-CG2 4.16Å
219Q96.4Very high93.8Very high95 Ų9579.7 Ų79.744%0.44440%0.404SS..SBendtrans-144.4154.3-175.368-174.746.300110.5M217M217-Q219 WeakPolarHBondContact CE-O 3.44Å
220D98.5Very high94.2Very high4 Ų477.1 Ų77.12%0.02139%0.394CS..  trans-62.9141.6174.8-59.2-59.1000111.3R14 F17 P223 I350R14-D220 IonicContact CZ-OD1 3.73Å; R14-D220 IonicContact CZ-OD2 3.85Å; R14-D220 IonicContact NH1-OD1 3.15Å; R14-D220 PolarHBondContact NH1-OD1 2.91Å; R14-D220 IonicContact NH1-OD2 3.27Å; R14-D220 PolarHBondContact NH1-OD2 2.95Å; R14-D220 IonicContact NH2-OD1 2.81Å; R14-D220 IonicContact NH2-OD2 3.97Å; R14-D220 PolarHBondContact NH2-OD2 2.84Å; F17-D220 PolarHBondContact N-OD1 3.24Å; D220-P223 HydrophobicContact CB-CG 3.89Å; D220-I350 HydrophobicContact CB-CB 4.26Å; D220-I350 HydrophobicContact CB-CG2 4.04Å
221E98.3Very high94.8Very high69 Ų6979.6 Ų79.632%0.32240%0.398SS..SBendtrans-89-30.8-176.4-175-179.9-159.500112.9F17 G18 T19 V23 M217 P223F17-E221 PolarHBondContact O-N 3.16Å; G18-E221 WeakPolarHBondContact CA-OE2 3.46Å; T19-E221 HydrophobicContact CG2-CG 4.01Å; T19-E221 PolarHBondContact N-OE2 3Å; V23-E221 PolarHBondContact N-OE1 2.98Å; V23-E221 PolarHBondContact N-OE2 3.08Å; M217-E221 HydrophobicContact CE-CB 3.76Å; E221-P223 VanDerWaalsContact C-CD 3.41Å
222H98.4Very high95.5Very high20 Ų2069.2 Ų69.29%0.09335%0.353CS..SBendtrans-70.6-28.8-174.5-159.870.3000117.2T19 R224 A349T19-H222 PolarHBondContact OG1-ND1 2.82Å; H222-R224 PolarHBondContact NE2-NH2 3.32Å; H222-A349 CarbonylContact C-O 3.3Å; H222-A349 VanDerWaalsContact C-O 3.3Å; H222-A349 PolarHBondContact CD2-O 3.21Å; H222-A349 VanDerWaalsContact CD2-O 3.31Å
223P98.4Very high96Very high16 Ų1662.3 Ų62.310%0.10434%0.335CS..  trans-57.6141.5-175.7-3037.8000114.4W190 D220 E221 P225 A349 I350W190-P223 HydrophobicContact CD2-CB 3.46Å; W190-P223 VanDerWaalsContact CD2-CB 3.46Å; W190-P223 HydrophobicContact CD2-CG 3.54Å; W190-P223 HydrophobicContact CE3-CB 3.33Å; W190-P223 HydrophobicContact CE3-CG 3.97Å; W190-P223 HydrophobicContact CG-CB 4.28Å; W190-P223 HydrophobicContact CG-CG 4.13Å; W190-P223 HydrophobicContact CH2-CB 3.54Å; W190-P223 HydrophobicContact CH2-CG 3.87Å; W190-P223 HydrophobicContact CZ2-CB 3.66Å; W190-P223 HydrophobicContact CZ2-CG 3.43Å; W190-P223 VanDerWaalsContact CZ2-CG 3.43Å; W190-P223 HydrophobicContact CZ3-CB 3.38Å; W190-P223 HydrophobicContact CZ3-CG 4.13Å; D220-P223 HydrophobicContact CB-CG 3.89Å; E221-P223 VanDerWaalsContact C-CD 3.41Å; P223-P225 VanDerWaalsContact C-CD 3.46Å; P223-A349 WeakPolarHBondContact CA-O 3.45Å; P223-A349 WeakPolarHBondContact CD-O 3.47Å; P223-A349 WeakPolarHBondContact CG-O 3.41Å; P223-A349 VanDerWaalsContact N-O 3.08Å; P223-I350 HydrophobicContact CG-CG2 3.99Å
224R97.6Very high96.4Very high87 Ų8770.2 Ų70.233%0.32835%0.351SS..  trans-131.760.4-177.7-69.8171-84.1175.10.9110H222 Q226 T227H222-R224 PolarHBondContact NE2-NH2 3.32Å; R224-Q226 PolarHBondContact O-N 3.18Å; R224-Q226 VanDerWaalsContact O-N 3.11Å; R224-T227 WeakPolarHBondContact CB-OG1 3.34Å; R224-T227 WeakPolarHBondContact O-CB 3.41Å; R224-T227 PolarHBondContact O-N 2.94Å; R224-T227 PolarHBondContact O-OG1 3.03Å
225P94.3Very high96.7Very high28 Ų2865.8 Ų65.818%0.18234%0.335CS..THydrogen-bonded Turntrans-64.7-17-171.431-41.5000114.8Q188 W190 K191 P223 T227Q188-P225 PolarHBondContact NE2-O 2.85Å; W190-P225 HydrophobicContact CE3-CB 4.43Å; W190-P225 HydrophobicContact CZ3-CB 4.31Å; W190-P225 HydrophobicContact CZ3-CG 3.94Å; K191-P225 HydrophobicContact CB-CB 3.8Å; K191-P225 HydrophobicContact CD-CB 3.92Å; K191-P225 HydrophobicContact CG-CB 3.87Å; K191-P225 HydrophobicContact CG-CG 4.5Å; P223-P225 VanDerWaalsContact C-CD 3.46Å; P225-T227 VanDerWaalsContact C-N 3.28Å
226Q96.3Very high96.9Very high138 Ų13867.1 Ų67.165%0.64535%0.345SS*.THydrogen-bonded Turntrans-79.4-7176.173.5-78.514.300113.8R224R224-Q226 PolarHBondContact O-N 3.18Å; R224-Q226 VanDerWaalsContact O-N 3.11Å
227T91Very high97Very high25 Ų2565.4 Ų65.415%0.15333%0.334CS..  trans-68.6135.4-177.3-520000110.6H184 R224 P225 Q231 M232H184-T227 PolarHBondContact CD2-O 2.99Å; H184-T227 VanDerWaalsContact CD2-O 3.31Å; R224-T227 WeakPolarHBondContact CB-OG1 3.34Å; R224-T227 WeakPolarHBondContact O-CB 3.41Å; R224-T227 PolarHBondContact O-N 2.94Å; R224-T227 PolarHBondContact O-OG1 3.03Å; P225-T227 VanDerWaalsContact C-N 3.28Å; T227-Q231 HydrophobicContact CG2-CB 4.28Å; T227-M232 HydrophobicContact CG2-CE 3.52Å; T227-M232 HydrophobicContact CG2-CG 3.63Å; T227-M232 HydrophobicContact CG2-SD 4.42Å
228T97.3Very high97.1Very high51 Ų5168.6 Ų68.631%0.31335%0.354SS..  trans-103159.317783.10000112.3E230 Q231 M232T228-E230 WeakPolarHBondContact CB-OE2 3.39Å; T228-E230 PolarHBondContact O-N 2.88Å; T228-E230 PolarHBondContact OG1-N 3.01Å; T228-E230 PolarHBondContact OG1-OE2 2.8Å; T228-Q231 WeakPolarHBondContact O-CB 3.45Å; T228-Q231 PolarHBondContact O-N 2.93Å; T228-Q231 VanDerWaalsContact O-N 3.09Å; T228-Q231 PolarHBondContact OG1-N 2.96Å; T228-M232 WeakPolarHBondContact O-CG 3.43Å; T228-M232 PolarHBondContact O-N 3.12Å
229L97.8Very high97.1Very high61 Ų6168.6 Ų68.632%0.31935%0.348SS..Hα-helixtrans-58.5-36.2175.7-72.2172.5000112.2K181 H184 Q231 M232 A233K181-L229 HydrophobicContact CG-CD2 4.26Å; H184-L229 HydrophobicContact CB-CD2 3.56Å; H184-L229 HydrophobicContact CB-CG 4.17Å; L229-Q231 VanDerWaalsContact C-N 3.32Å; L229-Q231 PolarHBondContact O-N 3.3Å; L229-M232 PolarHBondContact O-N 3.26Å; L229-A233 WeakPolarHBondContact O-CB 3.32Å; L229-A233 PolarHBondContact O-N 2.92Å
230E97.2Very high97.1Very high119 Ų11968.4 Ų68.456%0.55635%0.346SS*.Hα-helixtrans-65.8-35.9177.1-56.574.7-161.900112T228 R234T228-E230 WeakPolarHBondContact CB-OE2 3.39Å; T228-E230 PolarHBondContact O-N 2.88Å; T228-E230 PolarHBondContact OG1-N 3.01Å; T228-E230 PolarHBondContact OG1-OE2 2.8Å; E230-R234 WeakPolarHBondContact O-CG 3.43Å
231Q97.3Very high97Very high98 Ų9878.2 Ų78.246%0.45839%0.388SS..Hα-helixtrans-69.1-43.1174.4-69.4173-26.100110.9T227 T228 L229 R234T227-Q231 HydrophobicContact CG2-CB 4.28Å; T228-Q231 WeakPolarHBondContact O-CB 3.45Å; T228-Q231 PolarHBondContact O-N 2.93Å; T228-Q231 VanDerWaalsContact O-N 3.09Å; T228-Q231 PolarHBondContact OG1-N 2.96Å; L229-Q231 VanDerWaalsContact C-N 3.32Å; L229-Q231 PolarHBondContact O-N 3.3Å; Q231-R234 PolarHBondContact O-N 3.03Å
232M97.5Very high96.8Very high2 Ų278.5 Ų78.51%0.0141%0.41CS..Hα-helixtrans-62.2-45.9177.2-64.4-172.7177.200111.4R176 D180 A183 H184 Q187 T227 T228 L229 R234 L235 A248R176-M232 PolarHBondContact NH2-O 3.12Å; D180-M232 HydrophobicContact CB-CB 4.2Å; A183-M232 HydrophobicContact CB-CE 4.44Å; A183-M232 HydrophobicContact CB-SD 4.09Å; H184-M232 HydrophobicContact CB-CE 4.18Å; H184-M232 HydrophobicContact CB-SD 4.1Å; Q187-M232 HydrophobicContact CG-CE 4.43Å; T227-M232 HydrophobicContact CG2-CE 3.52Å; T227-M232 HydrophobicContact CG2-CG 3.63Å; T227-M232 HydrophobicContact CG2-SD 4.42Å; T228-M232 WeakPolarHBondContact O-CG 3.43Å; T228-M232 PolarHBondContact O-N 3.12Å; L229-M232 PolarHBondContact O-N 3.26Å; M232-R234 PolarHBondContact O-N 2.93Å; M232-R234 VanDerWaalsContact O-N 3.12Å; M232-L235 WeakPolarHBondContact O-CB 3.49Å; M232-L235 PolarHBondContact O-N 3.41Å; M232-A248 HydrophobicContact CB-CB 4.27Å; M232-A248 HydrophobicContact CG-CB 3.86Å; M232-A248 HydrophobicContact SD-CB 4.31Å
233A96.3Very high96.8Very high65 Ų6577.9 Ų77.954%0.53741%0.409SS..Hα-helixtrans-59.2-27.4-178.800000113.5L229 L235L229-A233 WeakPolarHBondContact O-CB 3.32Å; L229-A233 PolarHBondContact O-N 2.92Å; A233-L235 VanDerWaalsContact C-N 3.31Å
234R97.3Very high96.8Very high208 Ų20877.7 Ų77.779%0.78541%0.407SS*.THydrogen-bonded Turntrans-76.1-15.5177.1-69.5170.8-172.7-174.12.8113.7E230 Q231 M232E230-R234 WeakPolarHBondContact O-CG 3.43Å; Q231-R234 PolarHBondContact O-N 3.03Å; M232-R234 PolarHBondContact O-N 2.93Å; M232-R234 VanDerWaalsContact O-N 3.12Å
235L97.8Very high96.9Very high64 Ų6473.6 Ų73.634%0.33539%0.392SS..SBendtrans-73.6131.7-178.4-65173.2000110.9R176 M232 A233 T246 A248R176-L235 PolarHBondContact NH1-O 2.85Å; R176-L235 PolarHBondContact NH2-O 3.19Å; M232-L235 WeakPolarHBondContact O-CB 3.49Å; M232-L235 PolarHBondContact O-N 3.41Å; A233-L235 VanDerWaalsContact C-N 3.31Å; L235-T246 HydrophobicContact CB-CG2 4.36Å; L235-A248 HydrophobicContact CD1-CB 3.35Å
236P98Very high97.1Very high93 Ų9372.4 Ų72.460%0.60438%0.384SS*.PPolyproline II helixtrans-70.9147.1178.430-34.4000110.6V238P236-V238 PolarHBondContact O-N 2.97Å
237P98.2Very high97.2Very high44 Ų4468.7 Ų68.729%0.28638%0.377SS..PPolyproline II helixtrans-56.6136.6165.5-24.335.4000111.2K240 G243 V245P237-K240 WeakPolarHBondContact CB-O 3.47Å; P237-G243 VanDerWaalsContact CG-O 3.23Å; P237-G243 WeakPolarHBondContact CG-O 3.17Å; P237-V245 VanDerWaalsContact CA-O 3.3Å; P237-V245 WeakPolarHBondContact CA-O 3.26Å
238V97.9Very high97.5Very high83 Ų8367.8 Ų67.850%0.50337%0.372SS..SBendtrans-89.3-42.2-174.41740000111.9P236 V245P236-V238 PolarHBondContact O-N 2.97Å; V238-V245 PolarHBondContact N-O 2.71Å
239F96.4Very high97.5Very high71 Ų7165.4 Ų65.431%0.31136%0.357SS..SBendtrans-100-32.3-168.5-62.5-82000113.7P160 I163 V245 F323P160-F239 HydrophobicContact CB-CD1 4.13Å; P160-F239 HydrophobicContact CB-CE1 4.21Å; I163-F239 HydrophobicContact CD1-CB 3.62Å; I163-F239 WeakPolarHBondContact CD1-O 3.41Å; I163-F239 HydrophobicContact CG1-CB 4.07Å; F239-V245 HydrophobicContact CD2-CB 4.19Å; F239-V245 HydrophobicContact CD2-CG1 3.71Å; F239-V245 HydrophobicContact CE2-CG1 3.85Å; F239-F323 HydrophobicContact CE2-CE1 4.31Å
240K96.8Very high97.6Very high90 Ų9063.1 Ų63.139%0.39135%0.347SS..SBendtrans-137.6131.3-174.3-176.1179.7178-176.30110.5I163 E166 P237 G242 G243I163-K240 HydrophobicContact CD1-CB 4.06Å; E166-K240 HydrophobicContact CB-CD 4.24Å; E166-K240 HydrophobicContact CG-CB 4.13Å; E166-K240 HydrophobicContact CG-CD 4.32Å; P237-K240 WeakPolarHBondContact CB-O 3.47Å; K240-G242 PolarHBondContact O-N 3.11Å; K240-G243 WeakPolarHBondContact O-CA 3.32Å; K240-G243 PolarHBondContact O-N 2.7Å
241K96.8Very high97.6Very high210 Ų21058.7 Ų58.791%0.91333%0.329SS*.THydrogen-bonded Turntrans-60.1124.4173.4-175.4179.4179.6-179.40109.6G243K241-G243 PolarHBondContact O-N 2.96Å
242G94.4Very high97.7Very high76 Ų7654.6 Ų54.678%0.78431%0.313SS*.THydrogen-bonded Turntrans70.513.7-174.500000114.3K240K240-G242 PolarHBondContact O-N 3.11Å
243G98.1Very high97.7Very high6 Ų656.6 Ų56.66%0.06233%0.326CS..  trans-75.1174.6175.200000113.5E166 P237 K240 K241E166-G243 VanDerWaalsContact OE1-CA 3.28Å; E166-G243 WeakPolarHBondContact OE1-CA 3.42Å; E166-G243 VanDerWaalsContact OE2-CA 3.22Å; E166-G243 WeakPolarHBondContact OE2-CA 3.45Å; P237-G243 VanDerWaalsContact CG-O 3.23Å; P237-G243 WeakPolarHBondContact CG-O 3.17Å; K240-G243 WeakPolarHBondContact O-CA 3.32Å; K240-G243 PolarHBondContact O-N 2.7Å; K241-G243 PolarHBondContact O-N 2.96Å
244T98.6Very high97.8Very high13 Ų1353.5 Ų53.58%0.0830%0.3CS..SBendtrans-92.4-24.2-179.762.90000113.3E166 A169 R176 N249E166-T244 VanDerWaalsContact CD-N 3.29Å; E166-T244 PolarHBondContact OE1-N 2.98Å; E166-T244 PolarHBondContact OE2-N 3.19Å; E166-T244 PolarHBondContact OE2-OG1 2.93Å; A169-T244 HydrophobicContact CB-CG2 3.96Å; R176-T244 HydrophobicContact CB-CG2 4.3Å; R176-T244 WeakPolarHBondContact CD-O 3.48Å; T244-N249 PolarHBondContact O-ND2 3.43Å
245V98.7Very high97.9Very high1 Ų143.6 Ų43.61%0.00626%0.263CS..  trans-84.8123-170.2-178.60000112.3A165 E166 P237 V238 F239 N249 A250 F323A165-V245 HydrophobicContact CB-CG2 4.03Å; E166-V245 HydrophobicContact CG-CG2 4.08Å; E166-V245 WeakPolarHBondContact OE1-CB 3.1Å; E166-V245 PolarHBondContact OE1-N 3.08Å; P237-V245 VanDerWaalsContact CA-O 3.3Å; P237-V245 WeakPolarHBondContact CA-O 3.26Å; V238-V245 PolarHBondContact N-O 2.71Å; F239-V245 HydrophobicContact CD2-CB 4.19Å; F239-V245 HydrophobicContact CD2-CG1 3.71Å; F239-V245 HydrophobicContact CE2-CG1 3.85Å; V245-N249 WeakPolarHBondContact CA-OD1 3.46Å; V245-A250 HydrophobicContact CG1-CB 4.17Å; V245-F323 HydrophobicContact CG1-CD1 3.61Å; V245-F323 HydrophobicContact CG1-CE1 3.91Å; V245-F323 HydrophobicContact CG2-CD1 4.4Å
246T98.8Very high98Very high2 Ų240.5 Ų40.51%0.01225%0.247CC..  trans-129.1173.8177.572.10000112.2L235 A248 N249 A250L235-T246 HydrophobicContact CB-CG2 4.36Å; T246-A248 PolarHBondContact O-N 3.3Å; T246-A248 PolarHBondContact OG1-N 2.86Å; T246-N249 PolarHBondContact N-OD1 3.19Å; T246-N249 PolarHBondContact O-N 2.71Å; T246-N249 PolarHBondContact O-OD1 3.32Å; T246-N249 PolarHBondContact OG1-N 2.99Å; T246-N249 PolarHBondContact OG1-ND2 3.24Å; T246-A250 WeakPolarHBondContact O-CB 3.32Å; T246-A250 PolarHBondContact O-N 3.48Å
247A98Very high98Very high60 Ų6036.1 Ų36.150%0.49622%0.218SC..THydrogen-bonded Turntrans-67.8-11173.600000114.8
248A97.5Very high98Very high6 Ų634 Ų345%0.0520%0.204CC..THydrogen-bonded Turntrans-94.6-25.7175.500000113.5A183 M232 L235 T246 I348A183-A248 WeakPolarHBondContact CB-O 3.32Å; M232-A248 HydrophobicContact CB-CB 4.27Å; M232-A248 HydrophobicContact CG-CB 3.86Å; M232-A248 HydrophobicContact SD-CB 4.31Å; L235-A248 HydrophobicContact CD1-CB 3.35Å; T246-A248 PolarHBondContact O-N 3.3Å; T246-A248 PolarHBondContact OG1-N 2.86Å; A248-I348 WeakPolarHBondContact O-CG2 3.43Å
249N98.6Very high98.1Very high1 Ų130 Ų301%0.00518%0.18CC..THydrogen-bonded Turntrans-114.812.7-174.370.227.5000113.4C179 D180 A183 T244 V245 T246 A324C179-N249 HydrophobicContact CB-CB 4.35Å; D180-N249 PolarHBondContact OD1-ND2 3.21Å; A183-N249 HydrophobicContact CB-CB 3.62Å; T244-N249 PolarHBondContact O-ND2 3.43Å; V245-N249 WeakPolarHBondContact CA-OD1 3.46Å; T246-N249 PolarHBondContact N-OD1 3.19Å; T246-N249 PolarHBondContact O-N 2.71Å; T246-N249 PolarHBondContact O-OD1 3.32Å; T246-N249 PolarHBondContact OG1-N 2.99Å; T246-N249 PolarHBondContact OG1-ND2 3.24Å; N249-A324 HydrophobicContact CB-CB 3.95Å; N249-A324 WeakPolarHBondContact O-CB 3.5Å; N249-A324 PolarHBondContact O-N 2.87Å
250A98.7Very high98.2Very high13 Ų1326.7 Ų26.711%0.10717%0.166CC..BIsolated β-bridgetrans-110.6149.6166.700000109.6V245 T246 F323V245-A250 HydrophobicContact CG1-CB 4.17Å; T246-A250 WeakPolarHBondContact O-CB 3.32Å; T246-A250 PolarHBondContact O-N 3.48Å; A250-F323 HydrophobicContact CB-CD1 3.51Å; A250-F323 HydrophobicContact CB-CE1 3.71Å
251S98.5Very high98.3Very high26 Ų2622.4 Ų22.418%0.18215%0.147CC..PPolyproline II helixtrans-62.6143170.455.10000112E321 A322 A347 H352S251-E321 WeakPolarHBondContact CB-O 3.31Å; S251-A322 PolarHBondContact N-O 3.38Å; S251-A322 PolarHBondContact OG-O 3.29Å; S251-A347 WeakPolarHBondContact CA-O 3.47Å; S251-A347 VanDerWaalsContact CB-O 3.25Å; S251-A347 WeakPolarHBondContact CB-O 2.97Å; S251-H352 WeakPolarHBondContact OG-CB 3.47Å
252G98.1Very high98.4Very high12 Ų1212.4 Ų12.412%0.12410%0.104CC..PPolyproline II helixtrans-75146.1175.900000112.5S254 H352G252-S254 PolarHBondContact O-N 3.36Å; G252-S254 PolarHBondContact O-OG 3.35Å; G252-H352 PolarHBondContact O-N 2.84Å
253V98.6Very high98.6Very high44 Ų448.8 Ų8.827%0.2677%0.066SC..PPolyproline II helixtrans-62130159.5175.10000108.1Y20 M122 L148Y20-V253 WeakPolarHBondContact CB-O 3.39Å; Y20-V253 HydrophobicContact CD2-CB 4.44Å; Y20-V253 HydrophobicContact CD2-CG1 3.47Å; Y20-V253 VanDerWaalsContact CD2-CG1 3.47Å; Y20-V253 HydrophobicContact CE2-CG1 4.27Å; Y20-V253 HydrophobicContact CG-CB 4.35Å; Y20-V253 HydrophobicContact CG-CG1 3.84Å; Y20-V253 PolarHBondContact N-O 3.18Å; Y20-V253 VanDerWaalsContact N-O 3.08Å; M122-V253 HydrophobicContact CB-CG1 3.49Å; M122-V253 VanDerWaalsContact CB-CG1 3.49Å; M122-V253 HydrophobicContact CE-CB 4.42Å; M122-V253 HydrophobicContact CE-CG1 3.9Å; M122-V253 HydrophobicContact CE-CG2 4.2Å; M122-V253 HydrophobicContact CG-CG1 4.28Å; M122-V253 HydrophobicContact SD-CG1 3.91Å; L148-V253 HydrophobicContact CD2-CG1 3.86Å
254S98.6Very high98.7Very high0 Ų08.5 Ų8.50%06%0.063CC..EExtended strand (participates in β ladder)trans-154.4168.3-172.153.10000112.7G18 M122 G252 G351 H352 P353G18-S254 CarbonylContact O-C 3.56Å; G18-S254 WeakPolarHBondContact O-CA 3.19Å; G18-S254 WeakPolarHBondContact O-CB 3.45Å; M122-S254 VanDerWaalsContact CG-O 3.24Å; M122-S254 WeakPolarHBondContact CG-O 3.44Å; M122-S254 VanDerWaalsContact SD-O 3.39Å; G252-S254 PolarHBondContact O-N 3.36Å; G252-S254 PolarHBondContact O-OG 3.35Å; S254-G351 VanDerWaalsContact OG-C 3.31Å; S254-G351 WeakPolarHBondContact OG-CA 3.14Å; S254-H352 PolarHBondContact OG-N 3.19Å; S254-P353 WeakPolarHBondContact OG-CD 3.25Å; S254-P353 VanDerWaalsContact OG-N 3.09Å
255D98.9Very high98.7Very high0 Ų010.5 Ų10.50%07%0.072CC..EExtended strand (participates in β ladder)trans-116.7139.9178.9-52.9-43.3000109.8F17 G18 L24 L32 E120 S121 M122 S123F17-D255 CarbonylContact C-O 3.46Å; F17-D255 WeakPolarHBondContact CA-O 3.47Å; G18-D255 PolarHBondContact N-O 3.4Å; G18-D255 PolarHBondContact O-N 2.75Å; L24-D255 HydrophobicContact CB-CB 4.13Å; L32-D255 HydrophobicContact CD1-CB 4.17Å; E120-D255 WeakPolarHBondContact O-CA 3.36Å; S121-D255 WeakPolarHBondContact CA-OD1 3.41Å; M122-D255 PolarHBondContact N-OD1 2.55Å; S123-D255 WeakPolarHBondContact CB-OD2 3.46Å; S123-D255 PolarHBondContact N-OD1 2.63Å; S123-D255 VanDerWaalsContact OG-CG 3.28Å; S123-D255 PolarHBondContact OG-OD1 2.93Å; S123-D255 PolarHBondContact OG-OD2 3.08Å
256G98.9Very high98.6Very high0 Ų015 Ų150%09%0.093CC..EExtended strand (participates in β ladder)trans175.1172.1176.500000114.7T15 S119 E120 A356T15-G256 WeakPolarHBondContact OG1-CA 3.43Å; S119-G256 WeakPolarHBondContact CA-O 3.37Å; S119-G256 PolarHBondContact OG-O 3.01Å; E120-G256 PolarHBondContact N-O 3.22Å; E120-G256 PolarHBondContact O-N 2.99Å; G256-A356 WeakPolarHBondContact O-CB 3.21Å
257A98.9Very high98.6Very high0 Ų014.9 Ų14.90%09%0.092CC..EExtended strand (participates in β ladder)trans-144.4159.8172.400000112.3R14 T15 L32 A36 G118R14-A257 CarbonylContact C-O 3.53Å; R14-A257 WeakPolarHBondContact CA-O 3.25Å; T15-A257 HydrophobicContact CG2-CB 3.99Å; T15-A257 PolarHBondContact N-O 3.09Å; T15-A257 PolarHBondContact OG1-N 2.87Å; T15-A257 PolarHBondContact OG1-O 3.49Å; L32-A257 HydrophobicContact CB-CB 3.79Å; L32-A257 VanDerWaalsContact O-CB 3.29Å; L32-A257 WeakPolarHBondContact O-CB 3.37Å; A36-A257 HydrophobicContact CB-CB 4.05Å; G118-A257 CarbonylContact O-C 3.57Å; G118-A257 WeakPolarHBondContact O-CA 3.29Å
258A98.9Very high98.7Very high0 Ų012.8 Ų12.80%07%0.073CC..EExtended strand (participates in β ladder)trans-143.9147.3167.500000110.2K13 R14 G117 G118 A359 R360K13-A258 CarbonylContact O-C 3.58Å; K13-A258 WeakPolarHBondContact O-CA 3.44Å; R14-A258 HydrophobicContact CB-CB 3.61Å; G117-A258 CarbonylContact C-O 3.59Å; G117-A258 WeakPolarHBondContact CA-O 3.22Å; G118-A258 PolarHBondContact N-O 2.95Å; G118-A258 PolarHBondContact O-N 2.93Å; A258-A359 HydrophobicContact CB-CB 3.65Å; A258-R360 HydrophobicContact CB-CB 4.24Å
259A98.9Very high98.7Very high0 Ų019.1 Ų19.10%010%0.1CC..EExtended strand (participates in β ladder)trans-131139.3179.300000110.1A12 K13 A36 A40 F56 L115 C116A12-A259 WeakPolarHBondContact CA-O 3.12Å; K13-A259 PolarHBondContact N-O 2.92Å; K13-A259 PolarHBondContact O-N 3.48Å; K13-A259 VanDerWaalsContact O-O 3.12Å; A36-A259 HydrophobicContact CB-CB 3.97Å; A40-A259 HydrophobicContact CB-CB 3.89Å; F56-A259 HydrophobicContact CZ-CB 4.37Å; L115-A259 HydrophobicContact CD1-CB 4.34Å; C116-A259 CarbonylContact O-C 3.45Å; C116-A259 WeakPolarHBondContact O-CA 3.27Å
260V98.9Very high98.7Very high0 Ų025.9 Ų25.90%013%0.131CC..EExtended strand (participates in β ladder)trans-132122.5-180-177.10000107.1I9 S11 A12 I99 C116 I262 T362I9-V260 HydrophobicContact CB-CG1 4.39Å; I9-V260 HydrophobicContact CD1-CG1 4.35Å; I9-V260 HydrophobicContact CG1-CG1 4.02Å; I9-V260 HydrophobicContact CG2-CG1 3.62Å; S11-V260 WeakPolarHBondContact O-CA 3.49Å; A12-V260 HydrophobicContact CB-CG1 4.43Å; A12-V260 HydrophobicContact CB-CG2 4.12Å; I99-V260 HydrophobicContact CD1-CB 4.16Å; I99-V260 HydrophobicContact CD1-CG1 4.4Å; I99-V260 HydrophobicContact CD1-CG2 3.91Å; I99-V260 HydrophobicContact CG1-CB 4.4Å; C116-V260 CarbonylContact C-O 3.34Å; C116-V260 WeakPolarHBondContact CA-O 3.17Å; C116-V260 WeakPolarHBondContact CB-O 3.19Å; C116-V260 PolarHBondContact N-O 3.36Å; C116-V260 PolarHBondContact O-N 2.79Å; C116-V260 VanDerWaalsContact O-O 3.06Å; V260-I262 HydrophobicContact CG1-CG2 4.04Å; V260-T362 HydrophobicContact CG2-CG2 4.5Å
261V98.9Very high98.7Very high0 Ų028.5 Ų28.50%014%0.141CC..EExtended strand (participates in β ladder)trans-94.7125.4172.2-173.70000108.1V10 S11 A40 L41 V46 V113 L115V10-V261 HydrophobicContact CG2-CB 3.86Å; V10-V261 HydrophobicContact CG2-CG1 3.7Å; V10-V261 WeakPolarHBondContact CG2-O 3.26Å; V10-V261 PolarHBondContact N-O 3.34Å; S11-V261 PolarHBondContact N-O 3.37Å; S11-V261 PolarHBondContact O-N 2.69Å; S11-V261 VanDerWaalsContact OG-CB 3.29Å; S11-V261 WeakPolarHBondContact OG-CB 3.38Å; S11-V261 WeakPolarHBondContact OG-CG2 3.46Å; A40-V261 HydrophobicContact CB-CG2 4.21Å; L41-V261 HydrophobicContact CD2-CG2 4.09Å; V46-V261 HydrophobicContact CG1-CG1 4.24Å; V46-V261 HydrophobicContact CG2-CG1 4.11Å; V113-V261 HydrophobicContact CG1-CG1 3.74Å; L115-V261 HydrophobicContact CD1-CG2 3.91Å
262I98.9Very high98.7Very high0 Ų036.1 Ų36.10%017%0.171CC..EExtended strand (participates in β ladder)trans-114.4149.8175.464.3175.3000110.4V7 F8 I9 I99 G102 I106 V113 V114 V260 I279V7-I262 HydrophobicContact CG1-CB 4.08Å; V7-I262 HydrophobicContact CG1-CD1 4.1Å; V7-I262 HydrophobicContact CG1-CG1 4.48Å; F8-I262 CarbonylContact O-C 3.54Å; F8-I262 WeakPolarHBondContact O-CA 3.48Å; I9-I262 HydrophobicContact CG1-CG2 3.96Å; I99-I262 HydrophobicContact CG2-CG2 4.4Å; G102-I262 VanDerWaalsContact C-CD1 3.41Å; I106-I262 HydrophobicContact CD1-CB 4.44Å; I106-I262 HydrophobicContact CD1-CD1 3.91Å; I106-I262 HydrophobicContact CD1-CG1 3.82Å; V113-I262 WeakPolarHBondContact CA-O 3.45Å; V114-I262 HydrophobicContact CB-CD1 4.23Å; V114-I262 HydrophobicContact CB-CG1 3.84Å; V114-I262 PolarHBondContact N-O 2.97Å; V114-I262 PolarHBondContact O-N 2.83Å; V260-I262 HydrophobicContact CG1-CG2 4.04Å; I262-I279 HydrophobicContact CG2-CD1 4.17Å
263A98.9Very high98.7Very high0 Ų036.2 Ų36.20%017%0.169CC..EExtended strand (participates in β ladder)trans-144152.6-179.600000111.6F8 V10 E112 V113 A267 V268 L273F8-A263 PolarHBondContact N-O 3.46Å; F8-A263 PolarHBondContact O-N 2.97Å; V10-A263 HydrophobicContact CG1-CB 4.06Å; E112-A263 CarbonylContact O-C 3.46Å; E112-A263 WeakPolarHBondContact O-CA 3.49Å; V113-A263 HydrophobicContact CG2-CB 4.17Å; A263-A267 HydrophobicContact CB-CB 4.13Å; A263-V268 HydrophobicContact CB-CG2 4.04Å; A263-L273 HydrophobicContact CB-CD1 4.01Å
264S98.9Very high98.7Very high0 Ų038.2 Ų38.20%018%0.181CC..EExtended strand (participates in β ladder)trans-66.7162.3168.970.80000111.4R5 E112 E266 A267 V268R5-S264 VanDerWaalsContact NH2-CB 3.33Å; E112-S264 PolarHBondContact O-N 3.42Å; E112-S264 WeakPolarHBondContact OE2-CB 3.34Å; E112-S264 PolarHBondContact OE2-OG 2.85Å; S264-E266 PolarHBondContact O-N 3.41Å; S264-E266 PolarHBondContact OG-N 2.82Å; S264-A267 PolarHBondContact O-N 3.11Å; S264-A267 WeakPolarHBondContact OG-CB 3.49Å; S264-A267 PolarHBondContact OG-N 2.75Å; S264-V268 VanDerWaalsContact O-CG2 3.29Å; S264-V268 WeakPolarHBondContact O-CG2 3.4Å; S264-V268 PolarHBondContact O-N 3.39Å
265E98.6Very high98.7Very high56 Ų5639.5 Ų39.526%0.26219%0.189SC..Hα-helixtrans-58-38.1171.5-169.3174.216700112.6N6 F8 V268 K269N6-E265 HydrophobicContact CB-CB 4.07Å; N6-E265 PolarHBondContact ND2-OE2 3.26Å; N6-E265 PolarHBondContact O-N 3.31Å; F8-E265 HydrophobicContact CD2-CB 4.46Å; F8-E265 HydrophobicContact CE2-CB 3.79Å; F8-E265 HydrophobicContact CE2-CG 3.95Å; E265-V268 PolarHBondContact O-N 3.09Å; E265-K269 HydrophobicContact CG-CD 4.39Å; E265-K269 WeakPolarHBondContact O-CG 3.34Å; E265-K269 PolarHBondContact O-N 2.66Å; E265-K269 VanDerWaalsContact O-N 3.1Å; E265-K269 VanDerWaalsContact OE1-CE 3.32Å; E265-K269 WeakPolarHBondContact OE1-CE 3.41Å; E265-K269 IonicContact OE1-NZ 3.01Å; E265-K269 PolarHBondContact OE1-NZ 3.35Å
266E98.6Very high98.7Very high94 Ų9440.7 Ų40.744%0.43920%0.196SC..Hα-helixtrans-63.6-48.7177.9-65.782.4176.800111.2R5 S264 V268 K269 E270R5-E266 IonicContact CZ-OE2 2.75Å; R5-E266 IonicContact NE-OE2 3.35Å; R5-E266 IonicContact NH2-OE1 3.23Å; R5-E266 IonicContact NH2-OE2 3.44Å; R5-E266 PolarHBondContact NH2-OE2 3.33Å; S264-E266 PolarHBondContact O-N 3.41Å; S264-E266 PolarHBondContact OG-N 2.82Å; E266-V268 VanDerWaalsContact C-N 3.35Å; E266-V268 PolarHBondContact O-N 3.06Å; E266-K269 PolarHBondContact O-N 2.89Å; E266-E270 VanDerWaalsContact O-CB 3.31Å; E266-E270 WeakPolarHBondContact O-CB 3.39Å; E266-E270 PolarHBondContact O-N 3Å
267A98.7Very high98.7Very high1 Ų140.8 Ų40.81%0.00820%0.196CC..Hα-helixtrans-64-38.7177.400000112.4E112 V113 A263 S264 K269 H271E112-A267 HydrophobicContact CB-CB 4.16Å; V113-A267 HydrophobicContact CG2-CB 3.86Å; A263-A267 HydrophobicContact CB-CB 4.13Å; S264-A267 PolarHBondContact O-N 3.11Å; S264-A267 WeakPolarHBondContact OG-CB 3.49Å; S264-A267 PolarHBondContact OG-N 2.75Å; A267-K269 VanDerWaalsContact C-N 3.31Å; A267-K269 PolarHBondContact O-N 3.31Å; A267-H271 WeakPolarHBondContact O-CB 3.42Å; A267-H271 PolarHBondContact O-CD2 3.17Å; A267-H271 PolarHBondContact O-N 3.22Å
268V98.7Very high98.7Very high16 Ų1643 Ų4310%0.09720%0.204CC..Hα-helixtrans-57.6-45.9173.81680000110.6F8 V10 A263 S264 E265 E266 K272 L273 P275F8-V268 HydrophobicContact CB-CG2 4Å; F8-V268 HydrophobicContact CD2-CG2 4Å; F8-V268 HydrophobicContact CG-CG2 4.24Å; V10-V268 HydrophobicContact CG1-CG2 3.86Å; A263-V268 HydrophobicContact CB-CG2 4.04Å; S264-V268 VanDerWaalsContact O-CG2 3.29Å; S264-V268 WeakPolarHBondContact O-CG2 3.4Å; S264-V268 PolarHBondContact O-N 3.39Å; E265-V268 PolarHBondContact O-N 3.09Å; E266-V268 VanDerWaalsContact C-N 3.35Å; E266-V268 PolarHBondContact O-N 3.06Å; V268-K272 CarbonylContact O-C 3.55Å; V268-K272 VanDerWaalsContact O-CA 3.25Å; V268-K272 WeakPolarHBondContact O-CA 3.36Å; V268-K272 PolarHBondContact O-N 3.32Å; V268-L273 HydrophobicContact CG2-CB 4.47Å; V268-L273 PolarHBondContact O-N 3.47Å; V268-P275 HydrophobicContact CG1-CB 4.46Å; V268-P275 HydrophobicContact CG1-CG 4.2Å
269K98.4Very high98.7Very high138 Ų13843 Ų4360%0.621%0.205SC*.Hα-helixtrans-71.1-47.3179.6-70.7171.9-174.3168.80112.4E265 E266 A267 K272E265-K269 HydrophobicContact CG-CD 4.39Å; E265-K269 WeakPolarHBondContact O-CG 3.34Å; E265-K269 PolarHBondContact O-N 2.66Å; E265-K269 VanDerWaalsContact O-N 3.1Å; E265-K269 VanDerWaalsContact OE1-CE 3.32Å; E265-K269 WeakPolarHBondContact OE1-CE 3.41Å; E265-K269 IonicContact OE1-NZ 3.01Å; E265-K269 PolarHBondContact OE1-NZ 3.35Å; E266-K269 PolarHBondContact O-N 2.89Å; A267-K269 VanDerWaalsContact C-N 3.31Å; A267-K269 PolarHBondContact O-N 3.31Å; K269-K272 PolarHBondContact O-N 3.09Å
270E98.5Very high98.6Very high144 Ų14443.5 Ų43.567%0.67321%0.208SC*.Hα-helixtrans-63.1-46.5-176.4-175.7176.1161.800111.6E266E266-E270 VanDerWaalsContact O-CB 3.31Å; E266-E270 WeakPolarHBondContact O-CB 3.39Å; E266-E270 PolarHBondContact O-N 3Å
271H98.4Very high98.6Very high67 Ų6743.5 Ų43.531%0.3121%0.208SC..THydrogen-bonded Turntrans-96.45.2-177.2-53.5-49.4000113.5L50 A267 L273L50-H271 HydrophobicContact CD1-CB 3.91Å; A267-H271 WeakPolarHBondContact O-CB 3.42Å; A267-H271 PolarHBondContact O-CD2 3.17Å; A267-H271 PolarHBondContact O-N 3.22Å; H271-L273 HydrophobicContact CB-CD1 4.45Å; H271-L273 HydrophobicContact CB-CD2 4.08Å; H271-L273 HydrophobicContact CB-CG 3.97Å; H271-L273 PolarHBondContact O-N 3.23Å
272K98.2Very high98.6Very high186 Ų18645.6 Ų45.681%0.80922%0.216SC*.THydrogen-bonded Turntrans53.840178.6-55.6176.2-178.1174.80112.8V268 K269V268-K272 CarbonylContact O-C 3.55Å; V268-K272 VanDerWaalsContact O-CA 3.25Å; V268-K272 WeakPolarHBondContact O-CA 3.36Å; V268-K272 PolarHBondContact O-N 3.32Å; K269-K272 PolarHBondContact O-N 3.09Å
273L98.3Very high98.6Very high15 Ų1547.2 Ų47.28%0.07922%0.223CC..  trans-72.4151.6178.5-53.3177.4000109.9V10 V46 A263 V268 H271 P275V10-L273 HydrophobicContact CB-CB 4.29Å; V10-L273 HydrophobicContact CG1-CB 3.89Å; V10-L273 HydrophobicContact CG1-CD1 4.18Å; V10-L273 HydrophobicContact CG2-CD1 4.32Å; V46-L273 HydrophobicContact CG2-CD1 4.47Å; V46-L273 HydrophobicContact CG2-CD2 4.03Å; A263-L273 HydrophobicContact CB-CD1 4.01Å; V268-L273 HydrophobicContact CG2-CB 4.47Å; V268-L273 PolarHBondContact O-N 3.47Å; H271-L273 HydrophobicContact CB-CD1 4.45Å; H271-L273 HydrophobicContact CB-CD2 4.08Å; H271-L273 HydrophobicContact CB-CG 3.97Å; H271-L273 PolarHBondContact O-N 3.23Å; L273-P275 VanDerWaalsContact O-CD 3.27Å; L273-P275 WeakPolarHBondContact O-CD 3.02Å
274T98.4Very high98.6Very high86 Ų8649.3 Ų49.353%0.52824%0.236SC..  trans-91.3109.1174.8-57.60000109.8V10 L276V10-T274 WeakPolarHBondContact CA-O 3.4Å; T274-L276 HydrophobicContact CG2-CD2 4.4Å; T274-L276 PolarHBondContact O-N 2.71Å
275P98.4Very high98.6Very high26 Ų2650.6 Ų50.617%0.16925%0.245CC..  trans-74.1127.7175.632.8-35.1000109.9F8 V268 L273 T396F8-P275 HydrophobicContact CB-CB 3.92Å; F8-P275 HydrophobicContact CD1-CB 3.61Å; F8-P275 HydrophobicContact CE1-CB 4.36Å; F8-P275 HydrophobicContact CG-CB 3.91Å; V268-P275 HydrophobicContact CG1-CB 4.46Å; V268-P275 HydrophobicContact CG1-CG 4.2Å; L273-P275 VanDerWaalsContact O-CD 3.27Å; L273-P275 WeakPolarHBondContact O-CD 3.02Å; P275-T396 HydrophobicContact CB-CG2 3.99Å; P275-T396 HydrophobicContact CG-CG2 4.3Å; P275-T396 PolarHBondContact O-OG1 2.62Å
276L98.7Very high98.6Very high26 Ų2650.4 Ų50.414%0.13626%0.258CS..  trans-92.1-37.2178.6-56.8-178000112.2I9 T274 V366 R370 T396I9-L276 WeakPolarHBondContact O-CB 3.31Å; I9-L276 PolarHBondContact O-N 2.89Å; T274-L276 HydrophobicContact CG2-CD2 4.4Å; T274-L276 PolarHBondContact O-N 2.71Å; L276-V366 HydrophobicContact CB-CG1 3.58Å; L276-V366 HydrophobicContact CD1-CG1 3.99Å; L276-V366 HydrophobicContact CG-CG1 4.45Å; L276-R370 PolarHBondContact O-NH1 3.15Å; L276-T396 PolarHBondContact O-OG1 2.91Å
277A98.8Very high98.6Very high1 Ų147.5 Ų47.51%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-155.1160.8177.100000110.2F8 I9 V366 I393 E394F8-A277 CarbonylContact C-O 3.6Å; F8-A277 WeakPolarHBondContact CA-O 3.43Å; I9-A277 PolarHBondContact N-O 3.34Å; I9-A277 PolarHBondContact O-N 3.49Å; A277-V366 HydrophobicContact CB-CG1 4.47Å; A277-V366 HydrophobicContact CB-CG2 4.09Å; A277-I393 HydrophobicContact CB-CB 4.25Å; A277-I393 HydrophobicContact CB-CD1 4.31Å; A277-E394 CarbonylContact C-O 3.52Å; A277-E394 WeakPolarHBondContact CA-O 3.2Å; A277-E394 WeakPolarHBondContact CB-O 3.4Å
278R98.8Very high98.6Very high46 Ų4651.5 Ų51.517%0.17427%0.269CS..EExtended strand (participates in β ladder)trans-108.9135.7173.2-173.3-179.466.178.9-3.5110V7 F8 V280 I393 E394V7-R278 WeakPolarHBondContact O-CA 3.36Å; F8-R278 HydrophobicContact CD1-CB 3.94Å; F8-R278 HydrophobicContact CD1-CG 4.21Å; F8-R278 HydrophobicContact CE1-CB 3.9Å; F8-R278 HydrophobicContact CE1-CG 3.97Å; F8-R278 HydrophobicContact CZ-CG 4.44Å; R278-V280 PolarHBondContact O-N 3.18Å; R278-I393 CarbonylContact O-C 3.55Å; R278-I393 VanDerWaalsContact O-CA 3.27Å; R278-I393 WeakPolarHBondContact O-CA 3.21Å; R278-E394 HydrophobicContact CB-CB 4.5Å; R278-E394 IonicContact CZ-OE2 3.6Å; R278-E394 PolarHBondContact N-O 3.36Å; R278-E394 IonicContact NE-OE2 3.87Å; R278-E394 PolarHBondContact NE-OE2 2.94Å; R278-E394 IonicContact NH2-OE2 3.86Å; R278-E394 PolarHBondContact NH2-OE2 3.43Å; R278-E394 PolarHBondContact O-N 3.47Å
279I98.8Very high98.6Very high2 Ų252.3 Ų52.31%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-76.3116.6171.9-59176.4000108.3L3 V7 I9 I99 A103 I262 Y282 I391L3-I279 HydrophobicContact CD2-CB 4.35Å; L3-I279 HydrophobicContact CD2-CG2 4.08Å; V7-I279 HydrophobicContact CB-CB 4.49Å; V7-I279 HydrophobicContact CG1-CD1 3.96Å; V7-I279 PolarHBondContact O-N 3.46Å; I9-I279 HydrophobicContact CD1-CG1 4.28Å; I9-I279 HydrophobicContact CG1-CD1 4.4Å; I9-I279 HydrophobicContact CG1-CG1 4.19Å; I99-I279 HydrophobicContact CG2-CD1 3.59Å; A103-I279 HydrophobicContact CB-CD1 4.38Å; I262-I279 HydrophobicContact CG2-CD1 4.17Å; I279-Y282 HydrophobicContact CG2-CD1 4.48Å; I279-I391 HydrophobicContact CG2-CG2 4.13Å
280V98.7Very high98.6Very high10 Ų1047.1 Ų47.16%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-89.5-47.8-173.4-176.10000111.6S2 R278 A307 L309 Y376 I392 E394S2-V280 PolarHBondContact OG-O 3.24Å; R278-V280 PolarHBondContact O-N 3.18Å; V280-A307 HydrophobicContact CG1-CB 3.9Å; V280-L309 HydrophobicContact CG1-CD1 4.41Å; V280-Y376 HydrophobicContact CG2-CD1 4.29Å; V280-Y376 HydrophobicContact CG2-CE1 4.16Å; V280-I392 HydrophobicContact CB-CB 4.22Å; V280-I392 HydrophobicContact CB-CG2 3.89Å; V280-I392 HydrophobicContact CG1-CG2 4.46Å; V280-I392 HydrophobicContact CG2-CG2 4.14Å; V280-I392 PolarHBondContact N-O 3.37Å; V280-E394 HydrophobicContact CG2-CB 3.49Å; V280-E394 VanDerWaalsContact CG2-CB 3.49Å
281A98.8Very high98.6Very high0 Ų041.2 Ų41.20%023%0.228CC..EExtended strand (participates in β ladder)trans-163.1162.1-177.500000110.3S2 K306 A307 I392S2-A281 WeakPolarHBondContact OG-CA 3.42Å; S2-A281 WeakPolarHBondContact OG-CB 3.43Å; A281-K306 HydrophobicContact CB-CB 4.34Å; A281-A307 HydrophobicContact CB-CB 3.81Å; A281-I392 HydrophobicContact CB-CD1 4.36Å; A281-I392 PolarHBondContact O-N 3.26Å
282Y98.8Very high98.6Very high44 Ų4438.2 Ų38.217%0.17321%0.214CC..EExtended strand (participates in β ladder)trans-148.7161.2170.657.6-102.7000110.5L3 I100 A103 Q104 I279 K306 A390L3-Y282 HydrophobicContact CD1-CD1 4.26Å; L3-Y282 HydrophobicContact CD1-CE1 4.12Å; L3-Y282 HydrophobicContact CD2-CE1 4.49Å; L3-Y282 HydrophobicContact CG-CE1 4.34Å; I100-Y282 HydrophobicContact CB-CD2 4.45Å; I100-Y282 HydrophobicContact CD1-CD2 3.77Å; I100-Y282 HydrophobicContact CD1-CG 3.9Å; I100-Y282 HydrophobicContact CG1-CD1 4.19Å; I100-Y282 HydrophobicContact CG1-CD2 3.94Å; I100-Y282 HydrophobicContact CG1-CG 3.76Å; I100-Y282 HydrophobicContact CG2-CD2 3.73Å; I100-Y282 HydrophobicContact CG2-CE1 4.3Å; I100-Y282 HydrophobicContact CG2-CE2 3.51Å; I100-Y282 HydrophobicContact CG2-CG 4.25Å; A103-Y282 HydrophobicContact CB-CE1 4.38Å; Q104-Y282 WeakPolarHBondContact CG-OH 3.21Å; Q104-Y282 PolarHBondContact NE2-OH 3.13Å; I279-Y282 HydrophobicContact CG2-CD1 4.48Å; Y282-K306 PolarHBondContact O-NZ 3Å; Y282-A390 CarbonylContact C-O 3.53Å; Y282-A390 WeakPolarHBondContact CA-O 3.44Å; Y282-A390 VanDerWaalsContact CB-O 3.3Å; Y282-A390 WeakPolarHBondContact CB-O 3.44Å
283H98.8Very high98.6Very high34 Ų3429.4 Ų29.416%0.15718%0.176CC..EExtended strand (participates in β ladder)trans-150.7148.9172.8-16296000111.6A299 E302 A303 K306 I389 A390H283-A299 WeakPolarHBondContact CB-O 3.19Å; H283-E302 HydrophobicContact CB-CB 4.24Å; H283-E302 VanDerWaalsContact CE1-CB 3.46Å; H283-E302 WeakPolarHBondContact CE1-CB 3.41Å; H283-E302 WeakPolarHBondContact ND1-CB 3.31Å; H283-A303 HydrophobicContact CB-CB 3.92Å; H283-K306 VanDerWaalsContact ND1-CE 3.35Å; H283-K306 WeakPolarHBondContact ND1-CE 3.49Å; H283-K306 PolarHBondContact ND1-NZ 3.08Å; H283-K306 VanDerWaalsContact ND1-NZ 3.14Å; H283-I389 CarbonylContact O-C 3.56Å; H283-I389 WeakPolarHBondContact O-CA 3.33Å; H283-A390 PolarHBondContact N-O 3.29Å; H283-A390 PolarHBondContact O-N 3.18Å
284V98.9Very high98.7Very high43 Ų4329.4 Ų29.426%0.26118%0.176SC..EExtended strand (participates in β ladder)trans-126.7130.6170.4-177.90000107.5I100 G388 I389I100-V284 HydrophobicContact CD1-CG2 4.06Å; V284-G388 CarbonylContact C-O 3.56Å; V284-G388 VanDerWaalsContact CA-O 3.29Å; V284-G388 WeakPolarHBondContact CA-O 3.45Å; V284-I389 HydrophobicContact CG2-CB 4.32Å; V284-I389 HydrophobicContact CG2-CD1 3.85Å; V284-I389 HydrophobicContact CG2-CG1 3.87Å
285S98.8Very high98.7Very high28 Ų2825.3 Ų25.320%0.19615%0.151CC..EExtended strand (participates in β ladder)trans-127.5146.4178.4-174.70000110.8Q387 G388S285-Q387 CarbonylContact O-C 3.49Å; S285-Q387 WeakPolarHBondContact O-CA 3.44Å; S285-Q387 WeakPolarHBondContact O-CB 3.47Å; S285-G388 PolarHBondContact N-O 3.35Å; S285-G388 PolarHBondContact O-N 2.89Å
286G98.7Very high98.7Very high52 Ų5224 Ų2454%0.53614%0.143SC..EExtended strand (participates in β ladder)trans-76.5158.916000000111.2G386G286-G386 CarbonylContact C-O 3.42Å; G286-G386 WeakPolarHBondContact CA-O 3.46Å
287C98.7Very high98.7Very high32 Ų3224.1 Ų24.122%0.21615%0.145CC..  trans-149.4177.5167.764.30000109.4P289 I294 G386C287-P289 WeakPolarHBondContact O-CD 3.41Å; C287-I294 HydrophobicContact CB-CG2 4.19Å; C287-G386 PolarHBondContact N-O 3.11Å; C287-G386 VanDerWaalsContact O-O 3.08Å
288D98.5Very high98.7Very high86 Ų8625.9 Ų25.946%0.4616%0.156SC..  trans-63.2122.2176179.5-17.5000110.4S290 I291 M292D288-S290 PolarHBondContact O-N 2.82Å; D288-S290 VanDerWaalsContact O-N 3.16Å; D288-S290 WeakPolarHBondContact OD1-CB 3.27Å; D288-S290 PolarHBondContact OD1-N 3Å; D288-S290 PolarHBondContact OD1-OG 2.92Å; D288-S290 PolarHBondContact OD2-OG 3.08Å; D288-S290 VanDerWaalsContact OD2-OG 3.12Å; D288-I291 HydrophobicContact CB-CD1 4.25Å; D288-I291 HydrophobicContact CB-CG1 3.76Å; D288-I291 CarbonylContact O-C 3.51Å; D288-I291 PolarHBondContact O-N 3.38Å; D288-M292 PolarHBondContact O-N 3.26Å
289P98.5Very high98.7Very high33 Ų3323.7 Ų23.721%0.21415%0.148CC..G310 helixtrans-56.5-29.7179.6-25.235.1000114I157 C287 I291 M292 G385I157-P289 HydrophobicContact CD1-CB 3.9Å; I157-P289 WeakPolarHBondContact CD1-O 3.22Å; I157-P289 HydrophobicContact CG2-CB 3.99Å; C287-P289 WeakPolarHBondContact O-CD 3.41Å; P289-I291 PolarHBondContact O-N 2.92Å; P289-M292 PolarHBondContact O-N 3.07Å; P289-G385 WeakPolarHBondContact CG-O 3.49Å
290S98.4Very high98.7Very high28 Ų2823.6 Ų23.620%0.19615%0.147CC..G310 helixtrans-68.1-16.1179.773.70000114.1T164 N167 D288T164-S290 WeakPolarHBondContact CA-O 3.43Å; T164-S290 WeakPolarHBondContact CB-O 3.44Å; N167-S290 PolarHBondContact ND2-O 3.36Å; D288-S290 PolarHBondContact O-N 2.82Å; D288-S290 VanDerWaalsContact O-N 3.16Å; D288-S290 WeakPolarHBondContact OD1-CB 3.27Å; D288-S290 PolarHBondContact OD1-N 3Å; D288-S290 PolarHBondContact OD1-OG 2.92Å; D288-S290 PolarHBondContact OD2-OG 3.08Å; D288-S290 VanDerWaalsContact OD2-OG 3.12Å
291I98.6Very high98.7Very high20 Ų2026.1 Ų26.110%0.10316%0.163CC..G310 helixtrans-134.936177.454.6167.3000110.5N167 L168 D288 P289 G293 I294N167-I291 HydrophobicContact CB-CG2 3.87Å; L168-I291 HydrophobicContact CD2-CB 3.89Å; L168-I291 HydrophobicContact CD2-CG2 4.11Å; L168-I291 HydrophobicContact CG-CB 4.14Å; L168-I291 HydrophobicContact CG-CG2 4.25Å; D288-I291 HydrophobicContact CB-CD1 4.25Å; D288-I291 HydrophobicContact CB-CG1 3.76Å; D288-I291 CarbonylContact O-C 3.51Å; D288-I291 PolarHBondContact O-N 3.38Å; P289-I291 PolarHBondContact O-N 2.92Å; I291-G293 PolarHBondContact O-N 3.5Å; I291-I294 HydrophobicContact CD1-CG2 4.15Å; I291-I294 HydrophobicContact CG1-CG2 4.33Å; I291-I294 WeakPolarHBondContact O-CG2 3.4Å; I291-I294 PolarHBondContact O-N 2.87Å
292M98.6Very high98.7Very high4 Ų429 Ų292%0.0218%0.177CC..G310 helixtrans-46.5-30.9-174.770.683.3-170.500114M161 T164 D288 P289 I294 G295 C382M161-M292 HydrophobicContact CB-CE 4.29Å; M161-M292 HydrophobicContact CG-CE 4.48Å; M161-M292 HydrophobicContact SD-CE 3.79Å; M161-M292 HydrophobicContact SD-CG 4.15Å; M161-M292 HydrophobicContact SD-SD 4.35Å; T164-M292 HydrophobicContact CG2-CG 4.31Å; T164-M292 WeakPolarHBondContact OG1-CE 3.47Å; D288-M292 PolarHBondContact O-N 3.26Å; P289-M292 PolarHBondContact O-N 3.07Å; M292-I294 PolarHBondContact O-N 3.07Å; M292-G295 PolarHBondContact O-N 2.97Å; M292-C382 HydrophobicContact SD-CB 4.1Å
293G98.6Very high98.7Very high1 Ų127 Ų271%0.0117%0.168CC..G310 helixtrans-54.1-22.5176.900000115.5I291 G295 P296 Q326 V330 C382I291-G293 PolarHBondContact O-N 3.5Å; G293-G295 VanDerWaalsContact C-N 3.3Å; G293-P296 VanDerWaalsContact O-CD 3.31Å; G293-P296 WeakPolarHBondContact O-CD 3.14Å; G293-Q326 VanDerWaalsContact O-CG 3.32Å; G293-Q326 WeakPolarHBondContact O-CG 3.25Å; G293-Q326 PolarHBondContact O-NE2 3.21Å; G293-V330 WeakPolarHBondContact O-CG2 3.36Å; G293-C382 WeakPolarHBondContact O-CB 3.46Å
294I98.9Very high98.7Very high15 Ų1526 Ų268%0.07716%0.164CC..G310 helixtrans-81.5-8.1179-152.661.4000113.6L168 Y172 C287 I291 M292 P296 V297 P298 A329 V330 A333L168-I294 HydrophobicContact CD2-CB 4.11Å; L168-I294 HydrophobicContact CD2-CD1 4.3Å; Y172-I294 HydrophobicContact CE2-CD1 3.97Å; Y172-I294 WeakPolarHBondContact OH-CD1 3.16Å; C287-I294 HydrophobicContact CB-CG2 4.19Å; I291-I294 HydrophobicContact CD1-CG2 4.15Å; I291-I294 HydrophobicContact CG1-CG2 4.33Å; I291-I294 WeakPolarHBondContact O-CG2 3.4Å; I291-I294 PolarHBondContact O-N 2.87Å; M292-I294 PolarHBondContact O-N 3.07Å; I294-P296 VanDerWaalsContact C-N 3.25Å; I294-P296 WeakPolarHBondContact O-CD 3.49Å; I294-V297 HydrophobicContact CD1-CG2 3.57Å; I294-V297 HydrophobicContact CG1-CB 4.3Å; I294-V297 HydrophobicContact CG1-CG2 3.79Å; I294-V297 WeakPolarHBondContact O-CB 3.48Å; I294-V297 PolarHBondContact O-N 3.06Å; I294-P298 WeakPolarHBondContact O-CD 3.24Å; I294-A329 HydrophobicContact CD1-CB 4.3Å; I294-V330 HydrophobicContact CD1-CG2 4.29Å; I294-A333 HydrophobicContact CD1-CB 4.34Å
295G98.9Very high98.7Very high0 Ų030.7 Ų30.70%018%0.181CC..THydrogen-bonded Turntrans-45.5-36.8-178.800000116.2M292 G293 V297 P298 A299M292-G295 PolarHBondContact O-N 2.97Å; G293-G295 VanDerWaalsContact C-N 3.3Å; G295-V297 PolarHBondContact O-N 3.33Å; G295-P298 WeakPolarHBondContact O-CD 3.49Å; G295-P298 WeakPolarHBondContact O-CG 3.26Å; G295-A299 WeakPolarHBondContact O-CB 3.45Å; G295-A299 PolarHBondContact O-N 3.49Å
296P98.9Very high98.7Very high0 Ų034.3 Ų34.30%019%0.193CC..Hα-helixtrans-58.1-29.3175.8-29.538.3000114.4G293 I294 A299 I300 V319 V330 C382G293-P296 VanDerWaalsContact O-CD 3.31Å; G293-P296 WeakPolarHBondContact O-CD 3.14Å; I294-P296 VanDerWaalsContact C-N 3.25Å; I294-P296 WeakPolarHBondContact O-CD 3.49Å; P296-A299 PolarHBondContact O-N 2.83Å; P296-I300 HydrophobicContact CB-CD1 4.21Å; P296-I300 VanDerWaalsContact O-CB 3.29Å; P296-I300 WeakPolarHBondContact O-CB 3.49Å; P296-I300 VanDerWaalsContact O-CG1 3.25Å; P296-I300 WeakPolarHBondContact O-CG1 3.4Å; P296-I300 PolarHBondContact O-N 2.69Å; P296-V319 HydrophobicContact CB-CG1 4.21Å; P296-V319 HydrophobicContact CG-CG1 4.01Å; P296-V330 HydrophobicContact CB-CG1 3.91Å; P296-V330 HydrophobicContact CB-CG2 4.09Å; P296-V330 HydrophobicContact CG-CG2 4.07Å; P296-C382 HydrophobicContact CG-CB 4.13Å
297V98.9Very high98.7Very high27 Ų2733.1 Ų33.116%0.16418%0.179CC..Hα-helixtrans-59-63.6-179.1178.30000111.1I294 G295 A299 I300 T301 V330 A333 L334I294-V297 HydrophobicContact CD1-CG2 3.57Å; I294-V297 HydrophobicContact CG1-CB 4.3Å; I294-V297 HydrophobicContact CG1-CG2 3.79Å; I294-V297 WeakPolarHBondContact O-CB 3.48Å; I294-V297 PolarHBondContact O-N 3.06Å; G295-V297 PolarHBondContact O-N 3.33Å; V297-A299 VanDerWaalsContact C-N 3.28Å; V297-A299 PolarHBondContact O-N 3.44Å; V297-I300 PolarHBondContact O-N 2.87Å; V297-T301 WeakPolarHBondContact O-CB 3.42Å; V297-T301 PolarHBondContact O-N 3.34Å; V297-T301 PolarHBondContact O-OG1 2.97Å; V297-V330 HydrophobicContact CG2-CB 4.38Å; V297-V330 HydrophobicContact CG2-CG1 4.12Å; V297-V330 HydrophobicContact CG2-CG2 4.25Å; V297-A333 HydrophobicContact CG1-CB 4.45Å; V297-A333 HydrophobicContact CG2-CB 3.78Å; V297-L334 HydrophobicContact CB-CD2 4.49Å; V297-L334 HydrophobicContact CG1-CD2 3.92Å; V297-L334 HydrophobicContact CG1-CG 4.32Å; V297-L334 HydrophobicContact CG2-CG 4.19Å
298P98.9Very high98.6Very high39 Ų3934.9 Ų34.925%0.25320%0.202SC..Hα-helixtrans-64.4-31.917826.4-36000112.9I294 G295 E302I294-P298 WeakPolarHBondContact O-CD 3.24Å; G295-P298 WeakPolarHBondContact O-CD 3.49Å; G295-P298 WeakPolarHBondContact O-CG 3.26Å; P298-E302 WeakPolarHBondContact O-CB 3.46Å; P298-E302 PolarHBondContact O-N 3.19Å
299A98.9Very high98.6Very high0 Ų032 Ų320%019%0.187CC..Hα-helixtrans-66.1-48.1179.500000112.4H283 G295 P296 V297 A303 A390H283-A299 WeakPolarHBondContact CB-O 3.19Å; G295-A299 WeakPolarHBondContact O-CB 3.45Å; G295-A299 PolarHBondContact O-N 3.49Å; P296-A299 PolarHBondContact O-N 2.83Å; V297-A299 VanDerWaalsContact C-N 3.28Å; V297-A299 PolarHBondContact O-N 3.44Å; A299-A303 VanDerWaalsContact O-CB 3.24Å; A299-A303 WeakPolarHBondContact O-CB 3.4Å; A299-A303 PolarHBondContact O-N 3.28Å; A299-A390 HydrophobicContact CB-CB 3.99Å
300I98.9Very high98.6Very high0 Ų033.7 Ų33.70%020%0.196CC..Hα-helixtrans-65.4-48.7177.2-69.1167.1000109.9P296 V297 E302 A303 L304 V319 L334 V378 A390P296-I300 HydrophobicContact CB-CD1 4.21Å; P296-I300 VanDerWaalsContact O-CB 3.29Å; P296-I300 WeakPolarHBondContact O-CB 3.49Å; P296-I300 VanDerWaalsContact O-CG1 3.25Å; P296-I300 WeakPolarHBondContact O-CG1 3.4Å; P296-I300 PolarHBondContact O-N 2.69Å; V297-I300 PolarHBondContact O-N 2.87Å; I300-E302 VanDerWaalsContact C-N 3.35Å; I300-E302 PolarHBondContact O-N 2.91Å; I300-A303 PolarHBondContact O-N 3.43Å; I300-L304 HydrophobicContact CG2-CD1 3.65Å; I300-L304 HydrophobicContact CG2-CG 4.2Å; I300-L304 WeakPolarHBondContact O-CB 3.45Å; I300-L304 WeakPolarHBondContact O-CG 3.34Å; I300-L304 PolarHBondContact O-N 3.22Å; I300-V319 HydrophobicContact CD1-CG2 4.18Å; I300-L334 HydrophobicContact CB-CD1 4.21Å; I300-L334 HydrophobicContact CD1-CD1 3.7Å; I300-L334 HydrophobicContact CG2-CD1 4.27Å; I300-V378 HydrophobicContact CG1-CG2 4.12Å; I300-V378 HydrophobicContact CG2-CG2 4.48Å; I300-A390 HydrophobicContact CG1-CB 3.96Å
301T98.8Very high98.6Very high63 Ų6334 Ų3439%0.38720%0.195SC..Hα-helixtrans-56.2-47.8-178.4-61.10000111.9V297 K305V297-T301 WeakPolarHBondContact O-CB 3.42Å; V297-T301 PolarHBondContact O-N 3.34Å; V297-T301 PolarHBondContact O-OG1 2.97Å; T301-K305 WeakPolarHBondContact O-CB 3.39Å; T301-K305 PolarHBondContact O-N 2.79Å
302E98.7Very high98.6Very high61 Ų6140.1 Ų40.129%0.28522%0.224SC..Hα-helixtrans-76.6-28.1-179.1-69.7-63.3133.500113H283 P298 I300 K305 K306H283-E302 HydrophobicContact CB-CB 4.24Å; H283-E302 VanDerWaalsContact CE1-CB 3.46Å; H283-E302 WeakPolarHBondContact CE1-CB 3.41Å; H283-E302 WeakPolarHBondContact ND1-CB 3.31Å; P298-E302 WeakPolarHBondContact O-CB 3.46Å; P298-E302 PolarHBondContact O-N 3.19Å; I300-E302 VanDerWaalsContact C-N 3.35Å; I300-E302 PolarHBondContact O-N 2.91Å; E302-K305 IonicContact OE1-NZ 3.01Å; E302-K305 PolarHBondContact OE1-NZ 3.04Å; E302-K305 IonicContact OE2-NZ 2.79Å; E302-K305 PolarHBondContact OE2-NZ 3.02Å; E302-K306 WeakPolarHBondContact O-CB 3.44Å; E302-K306 VanDerWaalsContact O-CG 3.28Å; E302-K306 WeakPolarHBondContact O-CG 3.48Å; E302-K306 PolarHBondContact O-N 2.96Å
303A98.8Very high98.6Very high0 Ų043.1 Ų43.10%024%0.24CC..Hα-helixtrans-65.1-45.9171.300000111.3H283 A299 I300 K306 A307 A390 I392H283-A303 HydrophobicContact CB-CB 3.92Å; A299-A303 VanDerWaalsContact O-CB 3.24Å; A299-A303 WeakPolarHBondContact O-CB 3.4Å; A299-A303 PolarHBondContact O-N 3.28Å; I300-A303 PolarHBondContact O-N 3.43Å; A303-K306 PolarHBondContact O-N 3.03Å; A303-A307 PolarHBondContact O-N 3.34Å; A303-A390 HydrophobicContact CB-CB 4.18Å; A303-I392 VanDerWaalsContact C-CD1 3.47Å; A303-I392 HydrophobicContact CB-CD1 3.9Å; A303-I392 HydrophobicContact CB-CG1 4.2Å; A303-I392 WeakPolarHBondContact O-CD1 3.47Å
304L98.7Very high98.6Very high13 Ų1343.1 Ų43.17%0.06824%0.24CC..Hα-helixtrans-60.6-47.3176.3-75.2171.2000111.1I300 K306 A307 G308 L309 L311 M314 I392I300-L304 HydrophobicContact CG2-CD1 3.65Å; I300-L304 HydrophobicContact CG2-CG 4.2Å; I300-L304 WeakPolarHBondContact O-CB 3.45Å; I300-L304 WeakPolarHBondContact O-CG 3.34Å; I300-L304 PolarHBondContact O-N 3.22Å; L304-K306 PolarHBondContact O-N 2.92Å; L304-A307 CarbonylContact O-C 3.49Å; L304-A307 WeakPolarHBondContact O-CA 3.48Å; L304-A307 WeakPolarHBondContact O-CB 3.23Å; L304-A307 PolarHBondContact O-N 3.31Å; L304-G308 PolarHBondContact O-N 3Å; L304-L309 CarbonylContact C-O 3.57Å; L304-L309 HydrophobicContact CD2-CB 3.96Å; L304-L309 PolarHBondContact O-N 2.9Å; L304-L311 HydrophobicContact CD1-CB 4.24Å; L304-L311 HydrophobicContact CD1-CD1 4.4Å; L304-M314 HydrophobicContact CD2-CE 3.86Å; L304-M314 HydrophobicContact CD2-CG 4.16Å; L304-M314 HydrophobicContact CD2-SD 3.95Å; L304-I392 HydrophobicContact CB-CD1 4.5Å; L304-I392 HydrophobicContact CD2-CD1 3.8Å; L304-I392 HydrophobicContact CG-CD1 4.12Å
305K98.5Very high98.6Very high142 Ų14244.9 Ų44.962%0.61725%0.249SC*.Hα-helixtrans-58.4-43.9176.2-177.7-178.8170.9-167.10112.7T301 E302 A307 G308T301-K305 WeakPolarHBondContact O-CB 3.39Å; T301-K305 PolarHBondContact O-N 2.79Å; E302-K305 IonicContact OE1-NZ 3.01Å; E302-K305 PolarHBondContact OE1-NZ 3.04Å; E302-K305 IonicContact OE2-NZ 2.79Å; E302-K305 PolarHBondContact OE2-NZ 3.02Å; K305-A307 VanDerWaalsContact C-N 3.28Å; K305-A307 PolarHBondContact O-N 2.81Å; K305-G308 PolarHBondContact O-N 3.24Å; K305-G308 VanDerWaalsContact O-N 3.15Å
306K98.1Very high98.6Very high105 Ų10545.4 Ų45.446%0.45725%0.252SS..Hα-helixtrans-62.4-34.7174.3-78.9174.4171.5-176.80112.7S2 A281 Y282 H283 E302 A303 L304 G308S2-K306 VanDerWaalsContact CB-O 3.3Å; S2-K306 WeakPolarHBondContact CB-O 3.31Å; A281-K306 HydrophobicContact CB-CB 4.34Å; Y282-K306 PolarHBondContact O-NZ 3Å; H283-K306 VanDerWaalsContact ND1-CE 3.35Å; H283-K306 WeakPolarHBondContact ND1-CE 3.49Å; H283-K306 PolarHBondContact ND1-NZ 3.08Å; H283-K306 VanDerWaalsContact ND1-NZ 3.14Å; E302-K306 WeakPolarHBondContact O-CB 3.44Å; E302-K306 VanDerWaalsContact O-CG 3.28Å; E302-K306 WeakPolarHBondContact O-CG 3.48Å; E302-K306 PolarHBondContact O-N 2.96Å; A303-K306 PolarHBondContact O-N 3.03Å; L304-K306 PolarHBondContact O-N 2.92Å; K306-G308 VanDerWaalsContact C-N 3.3Å
307A98.1Very high98.6Very high27 Ų2745.7 Ų45.722%0.22325%0.253CS..Hα-helixtrans-76.7-16.6176.500000113.2V280 A281 A303 L304 K305 L309 I392V280-A307 HydrophobicContact CG1-CB 3.9Å; A281-A307 HydrophobicContact CB-CB 3.81Å; A303-A307 PolarHBondContact O-N 3.34Å; L304-A307 CarbonylContact O-C 3.49Å; L304-A307 WeakPolarHBondContact O-CA 3.48Å; L304-A307 WeakPolarHBondContact O-CB 3.23Å; L304-A307 PolarHBondContact O-N 3.31Å; K305-A307 VanDerWaalsContact C-N 3.28Å; K305-A307 PolarHBondContact O-N 2.81Å; A307-L309 VanDerWaalsContact C-N 3.27Å; A307-L309 HydrophobicContact CB-CB 4.12Å; A307-L309 HydrophobicContact CB-CD1 3.74Å; A307-L309 HydrophobicContact CB-CG 3.77Å; A307-I392 HydrophobicContact CB-CD1 4.04Å
308G98.1Very high98.6Very high69 Ų6944.6 Ų44.671%0.71125%0.246SC*.THydrogen-bonded Turntrans68.130.5-16800000112.2L304 K305 K306L304-G308 PolarHBondContact O-N 3Å; K305-G308 PolarHBondContact O-N 3.24Å; K305-G308 VanDerWaalsContact O-N 3.15Å; K306-G308 VanDerWaalsContact C-N 3.3Å
309L98.5Very high98.6Very high26 Ų2642.7 Ų42.714%0.13623%0.234CC..  trans-114.6165.6-179.2-63.4175.3000110.6V280 L304 A307 D313 M314 Y376 I392V280-L309 HydrophobicContact CG1-CD1 4.41Å; L304-L309 CarbonylContact C-O 3.57Å; L304-L309 HydrophobicContact CD2-CB 3.96Å; L304-L309 PolarHBondContact O-N 2.9Å; A307-L309 VanDerWaalsContact C-N 3.27Å; A307-L309 HydrophobicContact CB-CB 4.12Å; A307-L309 HydrophobicContact CB-CD1 3.74Å; A307-L309 HydrophobicContact CB-CG 3.77Å; L309-D313 HydrophobicContact CD2-CB 4.27Å; L309-M314 HydrophobicContact CB-CE 4.37Å; L309-M314 HydrophobicContact CD1-CE 3.89Å; L309-Y376 HydrophobicContact CD1-CD1 4.04Å; L309-Y376 HydrophobicContact CD1-CD2 4.4Å; L309-Y376 HydrophobicContact CD1-CE1 3.99Å; L309-Y376 HydrophobicContact CD1-CE2 4.34Å; L309-Y376 HydrophobicContact CD1-CG 4.24Å; L309-Y376 HydrophobicContact CD2-CE2 3.96Å; L309-I392 HydrophobicContact CD1-CG2 4.24Å
310T98.5Very high98.6Very high67 Ų6742.8 Ų42.841%0.41124%0.235SC..  trans-117.8167.1174.667.40000110.4Q312 D313T310-Q312 PolarHBondContact O-N 3.34Å; T310-Q312 PolarHBondContact OG1-OE1 2.6Å; T310-D313 WeakPolarHBondContact CA-OD2 3.22Å; T310-D313 WeakPolarHBondContact CB-OD2 3.31Å; T310-D313 PolarHBondContact N-OD2 2.87Å; T310-D313 WeakPolarHBondContact O-CB 3.42Å; T310-D313 PolarHBondContact O-N 3.23Å; T310-D313 PolarHBondContact OG1-OD2 2.99Å
311L98.3Very high98.6Very high34 Ų3442.8 Ų42.818%0.17824%0.235CC..G310 helixtrans-63.9-29.7176.8-173.166.9000111.6L304 D313 M314 V317 L334 L336L304-L311 HydrophobicContact CD1-CB 4.24Å; L304-L311 HydrophobicContact CD1-CD1 4.4Å; L311-D313 PolarHBondContact O-N 3.16Å; L311-M314 HydrophobicContact CD1-CG 4.42Å; L311-M314 WeakPolarHBondContact O-CB 3.37Å; L311-M314 PolarHBondContact O-N 3.04Å; L311-M314 VanDerWaalsContact O-N 3.11Å; L311-V317 HydrophobicContact CD1-CG2 4.13Å; L311-L334 HydrophobicContact CD2-CB 4.4Å; L311-L334 VanDerWaalsContact CD2-O 3.31Å; L311-L334 WeakPolarHBondContact CD2-O 3.43Å; L311-L336 HydrophobicContact CD1-CD2 3.86Å; L311-L336 HydrophobicContact CD2-CD2 3.79Å; L311-L336 HydrophobicContact CG-CD2 4.41Å
312Q98.2Very high98.6Very high150 Ų15040 Ų4070%0.70122%0.218SC*.G310 helixtrans-65.8-25.2177.8-67.376.711.800112.9T310 M314T310-Q312 PolarHBondContact O-N 3.34Å; T310-Q312 PolarHBondContact OG1-OE1 2.6Å; Q312-M314 PolarHBondContact O-N 3.49Å
313D98.5Very high98.6Very high67 Ų6738.1 Ų38.136%0.35821%0.209SC..G310 helixtrans-75.1-12.1176.1-59.1-58.4000112.5L309 T310 L311 Y376L309-D313 HydrophobicContact CD2-CB 4.27Å; T310-D313 WeakPolarHBondContact CA-OD2 3.22Å; T310-D313 WeakPolarHBondContact CB-OD2 3.31Å; T310-D313 PolarHBondContact N-OD2 2.87Å; T310-D313 WeakPolarHBondContact O-CB 3.42Å; T310-D313 PolarHBondContact O-N 3.23Å; T310-D313 PolarHBondContact OG1-OD2 2.99Å; L311-D313 PolarHBondContact O-N 3.16Å; D313-Y376 HydrophobicContact CB-CD2 4.4Å
314M98.8Very high98.6Very high1 Ų138.1 Ų38.11%0.00521%0.209CC..  trans-82.1124179.1-56.1-63.895.300110.1L304 L309 L311 Q312 V317 K340 Y376 V378 I392L304-M314 HydrophobicContact CD2-CE 3.86Å; L304-M314 HydrophobicContact CD2-CG 4.16Å; L304-M314 HydrophobicContact CD2-SD 3.95Å; L309-M314 HydrophobicContact CB-CE 4.37Å; L309-M314 HydrophobicContact CD1-CE 3.89Å; L311-M314 HydrophobicContact CD1-CG 4.42Å; L311-M314 WeakPolarHBondContact O-CB 3.37Å; L311-M314 PolarHBondContact O-N 3.04Å; L311-M314 VanDerWaalsContact O-N 3.11Å; Q312-M314 PolarHBondContact O-N 3.49Å; M314-V317 HydrophobicContact CB-CG2 3.96Å; M314-V317 HydrophobicContact CG-CG2 4.48Å; M314-K340 WeakPolarHBondContact O-CD 3.4Å; M314-K340 PolarHBondContact O-NZ 3.38Å; M314-Y376 VanDerWaalsContact CE-CB 3.4Å; M314-Y376 HydrophobicContact CE-CD2 4.4Å; M314-Y376 HydrophobicContact CE-CG 4.02Å; M314-V378 HydrophobicContact CG-CG1 3.93Å; M314-V378 HydrophobicContact SD-CB 3.89Å; M314-V378 HydrophobicContact SD-CG1 3.93Å; M314-I392 HydrophobicContact CE-CG2 4.46Å; M314-I392 HydrophobicContact SD-CG2 4.4Å
315D98.8Very high98.6Very high51 Ų5137.6 Ų37.627%0.27321%0.206SC..SBendtrans-82.5-29.8170.5-61.9-60.6000111.1L369 I372 K375 Y376D315-L369 HydrophobicContact CB-CD1 3.98Å; D315-I372 HydrophobicContact CB-CD1 4.39Å; D315-K375 WeakPolarHBondContact OD2-CA 3.47Å; D315-K375 PolarHBondContact OD2-N 3.04Å; D315-Y376 PolarHBondContact N-O 2.96Å; D315-Y376 PolarHBondContact OD2-N 3.11Å
316L98.8Very high98.6Very high11 Ų1130.9 Ų30.96%0.05818%0.177CC..EExtended strand (participates in β ladder)trans-135.9141.7175.1-65.4169.9000112K340 A343 L365 E368 L369 I372 Y376 A377 V378L316-K340 WeakPolarHBondContact CA-O 3.46Å; L316-A343 HydrophobicContact CD2-CB 4.41Å; L316-L365 HydrophobicContact CB-CD2 3.83Å; L316-L365 HydrophobicContact CD1-CD2 4.31Å; L316-E368 HydrophobicContact CD1-CB 4Å; L316-E368 HydrophobicContact CD1-CG 3.71Å; L316-E368 HydrophobicContact CD2-CG 4.49Å; L316-L369 HydrophobicContact CD1-CB 4.01Å; L316-L369 HydrophobicContact CD1-CD1 4.21Å; L316-L369 HydrophobicContact CG-CD1 4.49Å; L316-I372 HydrophobicContact CD1-CD1 3.86Å; L316-I372 HydrophobicContact CD2-CD1 3.95Å; L316-I372 HydrophobicContact CG-CD1 3.74Å; L316-Y376 PolarHBondContact N-O 2.83Å; L316-A377 HydrophobicContact CB-CB 3.87Å; L316-A377 WeakPolarHBondContact O-CA 3.4Å; L316-V378 PolarHBondContact O-N 2.95Å
317V98.9Very high98.7Very high6 Ų626.1 Ų26.14%0.03616%0.156CC..EExtended strand (participates in β ladder)trans-128.4128.1173.8179.90000108.5L311 M314 V319 L336 K340 S341 N342 V378L311-V317 HydrophobicContact CD1-CG2 4.13Å; M314-V317 HydrophobicContact CB-CG2 3.96Å; M314-V317 HydrophobicContact CG-CG2 4.48Å; V317-V319 HydrophobicContact CG1-CG2 4.19Å; V317-L336 HydrophobicContact CG1-CD1 4.16Å; V317-L336 HydrophobicContact CG1-CD2 4.04Å; V317-K340 PolarHBondContact N-O 3.22Å; V317-S341 CarbonylContact O-C 3.55Å; V317-S341 VanDerWaalsContact O-CA 3.23Å; V317-S341 WeakPolarHBondContact O-CA 3.43Å; V317-N342 PolarHBondContact O-N 3.46Å; V317-V378 CarbonylContact C-O 3.55Å; V317-V378 WeakPolarHBondContact CA-O 3.49Å; V317-V378 HydrophobicContact CB-CG1 4.26Å; V317-V378 HydrophobicContact CG1-CG1 4.02Å; V317-V378 HydrophobicContact CG2-CG1 3.91Å
318E98.9Very high98.7Very high4 Ų426.7 Ų26.72%0.01916%0.155CC..EExtended strand (participates in β ladder)trans-114.9123.9167.9-82-87.7143.100110N342 R360 I361 H364 L365 V378 G379 S380E318-N342 VanDerWaalsContact CA-OD1 3.31Å; E318-N342 WeakPolarHBondContact CA-OD1 3.29Å; E318-N342 WeakPolarHBondContact OE1-CA 3.33Å; E318-R360 IonicContact OE2-NH2 2.84Å; E318-R360 PolarHBondContact OE2-NH2 3.07Å; E318-I361 HydrophobicContact CB-CG2 3.36Å; E318-I361 HydrophobicContact CG-CG2 3.86Å; E318-H364 IonicContact OE1-CD2 2.68Å; E318-L365 HydrophobicContact CB-CD1 4.13Å; E318-L365 HydrophobicContact CB-CD2 4.23Å; E318-L365 HydrophobicContact CB-CG 4.3Å; E318-L365 HydrophobicContact CG-CD1 4.28Å; E318-L365 HydrophobicContact CG-CD2 3.58Å; E318-L365 HydrophobicContact CG-CG 3.89Å; E318-V378 PolarHBondContact N-O 2.88Å; E318-G379 CarbonylContact O-C 3.54Å; E318-S380 PolarHBondContact O-N 3.39Å; E318-S380 PolarHBondContact O-OG 3.37Å
319V98.9Very high98.7Very high0 Ų023.4 Ų23.40%012%0.121CC..EExtended strand (participates in β ladder)trans-119.3113.6167.6179.50000106.9P296 I300 V317 E321 Y327 V330 L336 N342P296-V319 HydrophobicContact CB-CG1 4.21Å; P296-V319 HydrophobicContact CG-CG1 4.01Å; I300-V319 HydrophobicContact CD1-CG2 4.18Å; V317-V319 HydrophobicContact CG1-CG2 4.19Å; V319-E321 PolarHBondContact O-N 2.86Å; V319-Y327 HydrophobicContact CB-CD2 4.05Å; V319-Y327 HydrophobicContact CB-CE2 4.35Å; V319-Y327 HydrophobicContact CG1-CD2 4.32Å; V319-V330 HydrophobicContact CG1-CB 4.27Å; V319-V330 HydrophobicContact CG1-CG1 4.06Å; V319-V330 HydrophobicContact CG1-CG2 4.36Å; V319-V330 HydrophobicContact CG2-CG1 3.95Å; V319-L336 HydrophobicContact CG2-CD1 3.87Å; V319-N342 PolarHBondContact N-OD1 3.18Å; V319-N342 PolarHBondContact O-ND2 2.74Å; V319-N342 PolarHBondContact O-OD1 2.89Å
320N98.9Very high98.7Very high1 Ų122.1 Ų22.11%0.00512%0.115CC..  trans-51.8126.9-179.1-171.960.4000111.7A322 Q326 H352 I361 S380 A381N320-A322 VanDerWaalsContact C-N 3.3Å; N320-A322 PolarHBondContact O-N 2.92Å; N320-Q326 PolarHBondContact O-OE1 3.48Å; N320-H352 PolarHBondContact ND2-CE1 3.29Å; N320-H352 PolarHBondContact ND2-ND1 3.34Å; N320-H352 PolarHBondContact ND2-NE2 2.85Å; N320-I361 HydrophobicContact CB-CD1 3.73Å; N320-S380 PolarHBondContact N-O 3.36Å; N320-A381 HydrophobicContact CB-CB 3.87Å
321E98.8Very high98.8Very high1 Ų119.7 Ų19.71%0.00510%0.102CC..  trans-83.763.8-174.6-54.6175.3172.700111.9Y182 T186 S251 V319 F323 N342 G346 A347 I348Y182-E321 HydrophobicContact CE1-CG 4.16Å; Y182-E321 WeakPolarHBondContact OH-CG 3.39Å; Y182-E321 PolarHBondContact OH-OE1 2.85Å; T186-E321 WeakPolarHBondContact CB-OE1 3.49Å; T186-E321 VanDerWaalsContact OG1-CD 3.25Å; T186-E321 PolarHBondContact OG1-OE1 3.02Å; T186-E321 PolarHBondContact OG1-OE2 2.96Å; S251-E321 WeakPolarHBondContact CB-O 3.31Å; V319-E321 PolarHBondContact O-N 2.86Å; E321-F323 VanDerWaalsContact C-N 3.25Å; E321-F323 PolarHBondContact O-N 2.77Å; E321-N342 WeakPolarHBondContact CG-ND2 3.42Å; E321-N342 PolarHBondContact OE1-ND2 3.48Å; E321-N342 VanDerWaalsContact OE1-ND2 3.15Å; E321-G346 WeakPolarHBondContact OE1-CA 3.36Å; E321-G346 PolarHBondContact OE1-N 3.5Å; E321-G346 VanDerWaalsContact OE2-CA 3.28Å; E321-G346 WeakPolarHBondContact OE2-CA 3.46Å; E321-G346 PolarHBondContact OE2-N 3.27Å; E321-A347 HydrophobicContact CB-CB 4.15Å; E321-A347 PolarHBondContact OE2-N 3.36Å; E321-I348 HydrophobicContact CB-CD1 4.06Å; E321-I348 HydrophobicContact CB-CG1 3.9Å; E321-I348 WeakPolarHBondContact OE2-CB 3.3Å; E321-I348 PolarHBondContact OE2-N 3.39Å
322A98.3Very high98.8Very high4 Ų423.9 Ų23.93%0.03312%0.118CC..SBendtrans-58-44.7178.500000110.8S251 N320S251-A322 PolarHBondContact N-O 3.38Å; S251-A322 PolarHBondContact OG-O 3.29Å; N320-A322 VanDerWaalsContact C-N 3.3Å; N320-A322 PolarHBondContact O-N 2.92Å
323F98.9Very high98.8Very high22 Ų2218.8 Ų18.810%0.09610%0.102CC..BIsolated β-bridgetrans-146.2147.8172.8-57.2-87.1000109.5M161 A165 F239 V245 A250 E321 A325 Q326 Y327M161-F323 HydrophobicContact CB-CE2 4.01Å; M161-F323 HydrophobicContact CB-CZ 4.13Å; A165-F323 HydrophobicContact CB-CB 3.67Å; A165-F323 HydrophobicContact CB-CD1 4.34Å; A165-F323 HydrophobicContact CB-CD2 3.74Å; A165-F323 HydrophobicContact CB-CG 3.65Å; F239-F323 HydrophobicContact CE2-CE1 4.31Å; V245-F323 HydrophobicContact CG1-CD1 3.61Å; V245-F323 HydrophobicContact CG1-CE1 3.91Å; V245-F323 HydrophobicContact CG2-CD1 4.4Å; A250-F323 HydrophobicContact CB-CD1 3.51Å; A250-F323 HydrophobicContact CB-CE1 3.71Å; E321-F323 VanDerWaalsContact C-N 3.25Å; E321-F323 PolarHBondContact O-N 2.77Å; F323-A325 PolarHBondContact O-N 2.85Å; F323-Q326 HydrophobicContact CB-CB 4.11Å; F323-Q326 WeakPolarHBondContact O-CB 3.28Å; F323-Q326 PolarHBondContact O-N 3.02Å; F323-Y327 PolarHBondContact O-N 3.18Å
324A98.9Very high98.8Very high0 Ų017.3 Ų17.30%09%0.094CC..Hα-helixtrans-57.8-46.1178.300000112.2C179 Y182 N249 Q326 Y327 L328 I348C179-A324 HydrophobicContact CB-CB 3.86Å; C179-A324 WeakPolarHBondContact O-CB 3.28Å; Y182-A324 HydrophobicContact CD1-CB 3.85Å; N249-A324 HydrophobicContact CB-CB 3.95Å; N249-A324 WeakPolarHBondContact O-CB 3.5Å; N249-A324 PolarHBondContact O-N 2.87Å; A324-Q326 PolarHBondContact O-N 3.35Å; A324-Y327 PolarHBondContact O-N 2.95Å; A324-L328 WeakPolarHBondContact O-CB 3.46Å; A324-L328 VanDerWaalsContact O-CG 3.29Å; A324-L328 WeakPolarHBondContact O-CG 3.39Å; A324-L328 PolarHBondContact O-N 3.15Å; A324-I348 HydrophobicContact CB-CD1 3.9Å
325A98.8Very high98.8Very high1 Ų120 Ų201%0.00812%0.122CC..Hα-helixtrans-58.8-35.4176.300000113A165 A169 I174 F323 A329A165-A325 HydrophobicContact CB-CB 4.5Å; A169-A325 HydrophobicContact CB-CB 3.92Å; I174-A325 VanDerWaalsContact CD1-O 3.25Å; I174-A325 WeakPolarHBondContact CD1-O 3.44Å; F323-A325 PolarHBondContact O-N 2.85Å; A325-A329 WeakPolarHBondContact O-CB 3.38Å; A325-A329 PolarHBondContact O-N 3.24Å; A325-A329 VanDerWaalsContact O-N 3.11Å
326Q98.8Very high98.8Very high1 Ų118.4 Ų18.41%0.00511%0.113CC..Hα-helixtrans-70.4-48.4177.5171.8-84.5-4900111.3A165 L168 G293 N320 F323 A324 L328 A329 V330A165-Q326 HydrophobicContact CB-CB 4.43Å; L168-Q326 HydrophobicContact CD1-CB 4.24Å; L168-Q326 HydrophobicContact CD1-CG 4.2Å; G293-Q326 VanDerWaalsContact O-CG 3.32Å; G293-Q326 WeakPolarHBondContact O-CG 3.25Å; G293-Q326 PolarHBondContact O-NE2 3.21Å; N320-Q326 PolarHBondContact O-OE1 3.48Å; F323-Q326 HydrophobicContact CB-CB 4.11Å; F323-Q326 WeakPolarHBondContact O-CB 3.28Å; F323-Q326 PolarHBondContact O-N 3.02Å; A324-Q326 PolarHBondContact O-N 3.35Å; Q326-L328 PolarHBondContact O-N 2.96Å; Q326-A329 PolarHBondContact O-N 2.94Å; Q326-V330 PolarHBondContact O-N 3.48Å
327Y98.9Very high98.7Very high6 Ų621.3 Ų21.32%0.02413%0.129CC..Hα-helixtrans-57.4-49.8175.7165.3-91.3000110.9Y182 V319 F323 A324 A329 V330 A331Y182-Y327 AromaticContact CD1-CD1 3.88Å; Y182-Y327 HydrophobicContact CD1-CD1 3.88Å; Y182-Y327 HydrophobicContact CD1-CE1 4.47Å; Y182-Y327 HydrophobicContact CD1-CG 4.49Å; Y182-Y327 AromaticContact CD2-CD1 3.86Å; Y182-Y327 HydrophobicContact CD2-CD1 3.86Å; Y182-Y327 AromaticContact CD2-CE1 3.61Å; Y182-Y327 HydrophobicContact CD2-CE1 3.61Å; Y182-Y327 AromaticContact CE1-CD1 3.37Å; Y182-Y327 HydrophobicContact CE1-CD1 3.37Å; Y182-Y327 HydrophobicContact CE1-CD2 4.44Å; Y182-Y327 AromaticContact CE1-CE1 3.96Å; Y182-Y327 HydrophobicContact CE1-CE1 3.96Å; Y182-Y327 AromaticContact CE1-CG 3.66Å; Y182-Y327 HydrophobicContact CE1-CG 3.66Å; Y182-Y327 AromaticContact CE2-CD1 3.38Å; Y182-Y327 HydrophobicContact CE2-CD1 3.38Å; Y182-Y327 AromaticContact CE2-CE1 3Å; Y182-Y327 HydrophobicContact CE2-CE1 3Å; Y182-Y327 HydrophobicContact CE2-CE2 4.35Å; Y182-Y327 HydrophobicContact CE2-CG 4.2Å; Y182-Y327 AromaticContact CE2-CZ 3.55Å; Y182-Y327 HydrophobicContact CG-CD1 4.08Å; Y182-Y327 HydrophobicContact CG-CE1 4.3Å; Y182-Y327 AromaticContact CZ-CD1 3.08Å; Y182-Y327 AromaticContact CZ-CD2 3.91Å; Y182-Y327 AromaticContact CZ-CE1 3.19Å; Y182-Y327 AromaticContact CZ-CE2 3.97Å; Y182-Y327 AromaticContact CZ-CG 3.47Å; Y182-Y327 VanDerWaalsContact CZ-CG 3.47Å; Y182-Y327 AromaticContact CZ-CZ 3.62Å; Y182-Y327 WeakPolarHBondContact OH-CD1 3.14Å; Y182-Y327 VanDerWaalsContact OH-CD2 3.23Å; Y182-Y327 WeakPolarHBondContact OH-CD2 3.48Å; Y182-Y327 WeakPolarHBondContact OH-CE1 3.17Å; Y182-Y327 VanDerWaalsContact OH-CE2 3.22Å; Y182-Y327 WeakPolarHBondContact OH-CE2 3.25Å; Y182-Y327 VanDerWaalsContact OH-CG 3.27Å; Y182-Y327 VanDerWaalsContact OH-CZ 3.28Å; V319-Y327 HydrophobicContact CB-CD2 4.05Å; V319-Y327 HydrophobicContact CB-CE2 4.35Å; V319-Y327 HydrophobicContact CG1-CD2 4.32Å; F323-Y327 PolarHBondContact O-N 3.18Å; A324-Y327 PolarHBondContact O-N 2.95Å; Y327-A329 VanDerWaalsContact C-N 3.26Å; Y327-A329 PolarHBondContact O-N 3.48Å; Y327-V330 WeakPolarHBondContact O-CB 3.38Å; Y327-V330 PolarHBondContact O-N 2.87Å; Y327-A331 HydrophobicContact CE1-CB 4.09Å; Y327-A331 WeakPolarHBondContact O-CB 3.4Å; Y327-A331 PolarHBondContact O-N 3.27Å
328L98.9Very high98.5Very high38 Ų3824.1 Ų24.120%0.19915%0.147CC..Hα-helixtrans-61.9-34.3-177.7-72.1171000112I174 D178 Y182 A324 Q326 A331 K332I174-L328 HydrophobicContact CD1-CB 3.79Å; I174-L328 HydrophobicContact CG1-CB 4.29Å; I174-L328 HydrophobicContact CG2-CB 4.16Å; I174-L328 HydrophobicContact CG2-CD1 3.65Å; D178-L328 HydrophobicContact CB-CD1 3.97Å; Y182-L328 HydrophobicContact CD2-CD2 4.44Å; Y182-L328 HydrophobicContact CG-CD2 4.36Å; Y182-L328 HydrophobicContact CG-CG 4.46Å; A324-L328 WeakPolarHBondContact O-CB 3.46Å; A324-L328 VanDerWaalsContact O-CG 3.29Å; A324-L328 WeakPolarHBondContact O-CG 3.39Å; A324-L328 PolarHBondContact O-N 3.15Å; Q326-L328 PolarHBondContact O-N 2.96Å; L328-A331 PolarHBondContact O-N 3.06Å; L328-K332 VanDerWaalsContact O-CB 3.29Å; L328-K332 WeakPolarHBondContact O-CB 3.49Å; L328-K332 PolarHBondContact O-N 3.03Å
329A98.9Very high98.4Very high0 Ų030.4 Ų30.40%018%0.177CC..Hα-helixtrans-65-42.7174.100000112.1L168 Y172 I174 I294 A325 Q326 Y327 A333L168-A329 HydrophobicContact CB-CB 4.04Å; L168-A329 HydrophobicContact CD1-CB 4.35Å; L168-A329 HydrophobicContact CD2-CB 4.15Å; L168-A329 HydrophobicContact CG-CB 4.42Å; Y172-A329 HydrophobicContact CD1-CB 4.43Å; Y172-A329 HydrophobicContact CD2-CB 3.69Å; Y172-A329 HydrophobicContact CE2-CB 4.14Å; Y172-A329 HydrophobicContact CG-CB 3.86Å; I174-A329 HydrophobicContact CD1-CB 3.83Å; I294-A329 HydrophobicContact CD1-CB 4.3Å; A325-A329 WeakPolarHBondContact O-CB 3.38Å; A325-A329 PolarHBondContact O-N 3.24Å; A325-A329 VanDerWaalsContact O-N 3.11Å; Q326-A329 PolarHBondContact O-N 2.94Å; Y327-A329 VanDerWaalsContact C-N 3.26Å; Y327-A329 PolarHBondContact O-N 3.48Å; A329-A333 VanDerWaalsContact O-CB 3.22Å; A329-A333 WeakPolarHBondContact O-CB 3.31Å; A329-A333 PolarHBondContact O-N 3.38Å
330V98.9Very high98.4Very high0 Ų033.5 Ų33.50%019%0.19CC..Hα-helixtrans-64.9-46.3174.3175.40000110.5G293 I294 P296 V297 V319 Q326 Y327 K332 A333 L334 L336G293-V330 WeakPolarHBondContact O-CG2 3.36Å; I294-V330 HydrophobicContact CD1-CG2 4.29Å; P296-V330 HydrophobicContact CB-CG1 3.91Å; P296-V330 HydrophobicContact CB-CG2 4.09Å; P296-V330 HydrophobicContact CG-CG2 4.07Å; V297-V330 HydrophobicContact CG2-CB 4.38Å; V297-V330 HydrophobicContact CG2-CG1 4.12Å; V297-V330 HydrophobicContact CG2-CG2 4.25Å; V319-V330 HydrophobicContact CG1-CB 4.27Å; V319-V330 HydrophobicContact CG1-CG1 4.06Å; V319-V330 HydrophobicContact CG1-CG2 4.36Å; V319-V330 HydrophobicContact CG2-CG1 3.95Å; Q326-V330 PolarHBondContact O-N 3.48Å; Y327-V330 WeakPolarHBondContact O-CB 3.38Å; Y327-V330 PolarHBondContact O-N 2.87Å; V330-K332 PolarHBondContact O-N 3.21Å; V330-A333 PolarHBondContact O-N 2.9Å; V330-L334 HydrophobicContact CG1-CD1 3.86Å; V330-L334 PolarHBondContact O-N 2.9Å; V330-L336 HydrophobicContact CG1-CD1 4.43Å
331A98.8Very high98.4Very high16 Ų1633.5 Ų33.513%0.13219%0.19CC..Hα-helixtrans-57.7-47.1179.400000111.7Y327 L328 G335 L336Y327-A331 HydrophobicContact CE1-CB 4.09Å; Y327-A331 WeakPolarHBondContact O-CB 3.4Å; Y327-A331 PolarHBondContact O-N 3.27Å; L328-A331 PolarHBondContact O-N 3.06Å; A331-G335 WeakPolarHBondContact O-CA 3.31Å; A331-G335 PolarHBondContact O-N 2.79Å; A331-L336 HydrophobicContact CB-CB 4.22Å; A331-L336 HydrophobicContact CB-CD1 4.19Å; A331-L336 HydrophobicContact CB-CG 4.41Å; A331-L336 PolarHBondContact O-N 3.36Å
332K98.7Very high98.4Very high121 Ų12133.5 Ų33.553%0.52619%0.19SC..Hα-helixtrans-65.1-40.4175.9-173.4170.8177.9176.90112.3Y172 L328 V330Y172-K332 HydrophobicContact CD1-CD 4.39Å; Y172-K332 PolarHBondContact O-NZ 3.2Å; L328-K332 VanDerWaalsContact O-CB 3.29Å; L328-K332 WeakPolarHBondContact O-CB 3.49Å; L328-K332 PolarHBondContact O-N 3.03Å; V330-K332 PolarHBondContact O-N 3.21Å
333A98.7Very high98.4Very high44 Ų4434.6 Ų34.636%0.36420%0.199SC..Hα-helixtrans-69.4-36.3-178.300000113.5Y172 I294 V297 A329 V330Y172-A333 HydrophobicContact CE1-CB 3.95Å; I294-A333 HydrophobicContact CD1-CB 4.34Å; V297-A333 HydrophobicContact CG1-CB 4.45Å; V297-A333 HydrophobicContact CG2-CB 3.78Å; A329-A333 VanDerWaalsContact O-CB 3.22Å; A329-A333 WeakPolarHBondContact O-CB 3.31Å; A329-A333 PolarHBondContact O-N 3.38Å; V330-A333 PolarHBondContact O-N 2.9Å
334L98.6Very high98.4Very high35 Ų3534 Ų3418%0.18320%0.197CC..Hα-helixtrans-94.4-14.2-179.7-69.7175.2000113.5V297 I300 L311 V330 L336V297-L334 HydrophobicContact CB-CD2 4.49Å; V297-L334 HydrophobicContact CG1-CD2 3.92Å; V297-L334 HydrophobicContact CG1-CG 4.32Å; V297-L334 HydrophobicContact CG2-CG 4.19Å; I300-L334 HydrophobicContact CB-CD1 4.21Å; I300-L334 HydrophobicContact CD1-CD1 3.7Å; I300-L334 HydrophobicContact CG2-CD1 4.27Å; L311-L334 HydrophobicContact CD2-CB 4.4Å; L311-L334 VanDerWaalsContact CD2-O 3.31Å; L311-L334 WeakPolarHBondContact CD2-O 3.43Å; V330-L334 HydrophobicContact CG1-CD1 3.86Å; V330-L334 PolarHBondContact O-N 2.9Å; L334-L336 HydrophobicContact CB-CD2 3.76Å; L334-L336 HydrophobicContact CB-CG 4.02Å; L334-L336 HydrophobicContact CD1-CD2 4.07Å
335G98.3Very high98.3Very high57 Ų5734.1 Ų34.159%0.58820%0.198SC*.THydrogen-bonded Turntrans66.844.7-171.700000111.7A331A331-G335 WeakPolarHBondContact O-CA 3.31Å; A331-G335 PolarHBondContact O-N 2.79Å
336L98.4Very high98.3Very high18 Ų1834.1 Ų34.19%0.09420%0.198CC..  trans-63.7136.2-178.4-65.1-172.1000111.2L311 V317 V319 V330 A331 L334 P338L311-L336 HydrophobicContact CD1-CD2 3.86Å; L311-L336 HydrophobicContact CD2-CD2 3.79Å; L311-L336 HydrophobicContact CG-CD2 4.41Å; V317-L336 HydrophobicContact CG1-CD1 4.16Å; V317-L336 HydrophobicContact CG1-CD2 4.04Å; V319-L336 HydrophobicContact CG2-CD1 3.87Å; V330-L336 HydrophobicContact CG1-CD1 4.43Å; A331-L336 HydrophobicContact CB-CB 4.22Å; A331-L336 HydrophobicContact CB-CD1 4.19Å; A331-L336 HydrophobicContact CB-CG 4.41Å; A331-L336 PolarHBondContact O-N 3.36Å; L334-L336 HydrophobicContact CB-CD2 3.76Å; L334-L336 HydrophobicContact CB-CG 4.02Å; L334-L336 HydrophobicContact CD1-CD2 4.07Å; L336-P338 WeakPolarHBondContact O-CD 3.22Å
337D98Very high98.3Very high73 Ų7334.1 Ų34.139%0.3920%0.198SC..  trans-72.2116.5169.6-177.6-15.4000108.9E339 K340 S341D337-E339 PolarHBondContact O-N 3Å; D337-E339 PolarHBondContact OD1-N 3.32Å; D337-K340 HydrophobicContact CB-CB 4.26Å; D337-K340 HydrophobicContact CB-CD 4.39Å; D337-K340 HydrophobicContact CB-CG 4.27Å; D337-K340 PolarHBondContact O-N 2.65Å; D337-S341 VanDerWaalsContact O-CB 3.24Å; D337-S341 WeakPolarHBondContact O-CB 3.45Å; D337-S341 PolarHBondContact O-N 2.87Å; D337-S341 PolarHBondContact O-OG 2.9Å
338P95.2Very high98.3Very high65 Ų6533.8 Ų33.842%0.42220%0.197SC..THydrogen-bonded Turntrans-61.5-29.3-177.425.8-34.5000112.6R189 L336 K340 S341R189-P338 PolarHBondContact NH1-O 2.92Å; R189-P338 VanDerWaalsContact NH1-O 3.14Å; R189-P338 PolarHBondContact NH2-O 3.14Å; L336-P338 WeakPolarHBondContact O-CD 3.22Å; P338-K340 VanDerWaalsContact C-N 3.32Å; P338-S341 PolarHBondContact O-N 3.05Å
339E96.6Very high98.3Very high136 Ų13632 Ų3264%0.63619%0.187SC*.THydrogen-bonded Turntrans-74.6-25-178.7-63.2-55.3117.300112.4R189 D337R189-E339 IonicContact NH2-OE1 3.9Å; D337-E339 PolarHBondContact O-N 3Å; D337-E339 PolarHBondContact OD1-N 3.32Å
340K98.3Very high98.3Very high65 Ų6532 Ų3228%0.28319%0.188SC..THydrogen-bonded Turntrans-96.1-11.5175.9-59.9-173.3177-166.20113.6M314 L316 V317 D337 P338M314-K340 WeakPolarHBondContact O-CD 3.4Å; M314-K340 PolarHBondContact O-NZ 3.38Å; L316-K340 WeakPolarHBondContact CA-O 3.46Å; V317-K340 PolarHBondContact N-O 3.22Å; D337-K340 HydrophobicContact CB-CB 4.26Å; D337-K340 HydrophobicContact CB-CD 4.39Å; D337-K340 HydrophobicContact CB-CG 4.27Å; D337-K340 PolarHBondContact O-N 2.65Å; P338-K340 VanDerWaalsContact C-N 3.32Å
341S98.6Very high98.3Very high0 Ų032 Ų320%019%0.188CC..BIsolated β-bridgetrans-106.6119.7-170.9-550000111.5R189 V317 D337 P338 A343R189-S341 PolarHBondContact NH1-O 2.88Å; V317-S341 CarbonylContact O-C 3.55Å; V317-S341 VanDerWaalsContact O-CA 3.23Å; V317-S341 WeakPolarHBondContact O-CA 3.43Å; D337-S341 VanDerWaalsContact O-CB 3.24Å; D337-S341 WeakPolarHBondContact O-CB 3.45Å; D337-S341 PolarHBondContact O-N 2.87Å; D337-S341 PolarHBondContact O-OG 2.9Å; P338-S341 PolarHBondContact O-N 3.05Å; S341-A343 VanDerWaalsContact C-N 3.26Å; S341-A343 PolarHBondContact O-N 3.11Å
342N98.7Very high98.3Very high1 Ų131.9 Ų31.91%0.00518%0.184CC..SBendtrans46.951.1-173.1-59.93.5000111.3Y182 R189 V317 E318 V319 E321 D344 G345Y182-N342 PolarHBondContact OH-ND2 3.05Å; R189-N342 WeakPolarHBondContact CD-O 3.49Å; R189-N342 PolarHBondContact NH1-O 3.19Å; V317-N342 PolarHBondContact O-N 3.46Å; E318-N342 VanDerWaalsContact CA-OD1 3.31Å; E318-N342 WeakPolarHBondContact CA-OD1 3.29Å; E318-N342 WeakPolarHBondContact OE1-CA 3.33Å; V319-N342 PolarHBondContact N-OD1 3.18Å; V319-N342 PolarHBondContact O-ND2 2.74Å; V319-N342 PolarHBondContact O-OD1 2.89Å; E321-N342 WeakPolarHBondContact CG-ND2 3.42Å; E321-N342 PolarHBondContact OE1-ND2 3.48Å; E321-N342 VanDerWaalsContact OE1-ND2 3.15Å; N342-D344 VanDerWaalsContact C-N 3.26Å; N342-D344 PolarHBondContact O-N 3.24Å; N342-G345 PolarHBondContact O-N 3.36Å
343A97.9Very high98.3Very high28 Ų2826.1 Ų26.123%0.23116%0.159CC..THydrogen-bonded Turntrans-62.9-32.9-169.600000112.7R189 L316 S341R189-A343 WeakPolarHBondContact CB-O 3.48Å; R189-A343 VanDerWaalsContact CD-O 3.3Å; R189-A343 WeakPolarHBondContact CD-O 3.47Å; R189-A343 WeakPolarHBondContact CG-O 3.38Å; L316-A343 HydrophobicContact CD2-CB 4.41Å; S341-A343 VanDerWaalsContact C-N 3.26Å; S341-A343 PolarHBondContact O-N 3.11Å
344D98.7Very high98.2Very high10 Ų1024.6 Ų24.65%0.05315%0.145CC..THydrogen-bonded Turntrans-98.814.8176.1-74.2-14.2000112.4W190 A193 H198 Y199 N342 H364W190-D344 VanDerWaalsContact CA-O 3.3Å; W190-D344 WeakPolarHBondContact CA-O 3.24Å; W190-D344 PolarHBondContact N-O 2.95Å; A193-D344 HydrophobicContact CB-CB 3.55Å; A193-D344 WeakPolarHBondContact CB-OD1 3.22Å; H198-D344 WeakPolarHBondContact CB-OD2 3.23Å; H198-D344 IonicContact CE1-OD1 2.83Å; H198-D344 IonicContact CG-OD2 3.78Å; H198-D344 VanDerWaalsContact ND1-CG 3.29Å; H198-D344 IonicContact ND1-OD1 3.72Å; H198-D344 PolarHBondContact ND1-OD1 2.7Å; H198-D344 IonicContact ND1-OD2 3.26Å; H198-D344 PolarHBondContact ND1-OD2 3.34Å; Y199-D344 HydrophobicContact CE1-CB 4.26Å; Y199-D344 PolarHBondContact OH-O 3.29Å; N342-D344 VanDerWaalsContact C-N 3.26Å; N342-D344 PolarHBondContact O-N 3.24Å; D344-H364 IonicContact OD2-CE1 3.18Å; D344-H364 PolarHBondContact OD2-CE1 3.26Å; D344-H364 IonicContact OD2-NE2 3.17Å; D344-H364 PolarHBondContact OD2-NE2 2.94Å
345G98.4Very high98.2Very high1 Ų122.9 Ų22.91%0.0114%0.136CC..  trans77.2178.7-17700000113.2T186 N342T186-G345 VanDerWaalsContact OG1-CA 3.25Å; T186-G345 WeakPolarHBondContact OG1-CA 3.33Å; N342-G345 PolarHBondContact O-N 3.36Å
346G98.6Very high98.2Very high1 Ų120.2 Ų20.21%0.0111%0.108CC..  trans-155.2-153.4-167.400000114.6T186 E321 I348 A349 I350T186-G346 PolarHBondContact OG1-N 2.77Å; E321-G346 WeakPolarHBondContact OE1-CA 3.36Å; E321-G346 PolarHBondContact OE1-N 3.5Å; E321-G346 VanDerWaalsContact OE2-CA 3.28Å; E321-G346 WeakPolarHBondContact OE2-CA 3.46Å; E321-G346 PolarHBondContact OE2-N 3.27Å; G346-I348 PolarHBondContact O-N 2.97Å; G346-I348 VanDerWaalsContact O-N 3.16Å; G346-A349 WeakPolarHBondContact O-CA 3.4Å; G346-A349 WeakPolarHBondContact O-CB 3.33Å; G346-A349 PolarHBondContact O-N 3.25Å; G346-I350 WeakPolarHBondContact O-CG1 3.43Å; G346-I350 PolarHBondContact O-N 3.22Å
347A98.8Very high98.3Very high1 Ų119.4 Ų19.41%0.00810%0.104CC..Hα-helixtrans-65.9-17.9-165.400000115.1S251 E321 A349 G351 H352S251-A347 WeakPolarHBondContact CA-O 3.47Å; S251-A347 VanDerWaalsContact CB-O 3.25Å; S251-A347 WeakPolarHBondContact CB-O 2.97Å; E321-A347 HydrophobicContact CB-CB 4.15Å; E321-A347 PolarHBondContact OE2-N 3.36Å; A347-A349 VanDerWaalsContact C-N 3.29Å; A347-G351 WeakPolarHBondContact CB-O 3.29Å; A347-G351 CarbonylContact O-C 3.57Å; A347-G351 WeakPolarHBondContact O-CA 3.45Å; A347-G351 PolarHBondContact O-N 3.09Å; A347-H352 HydrophobicContact CB-CB 4.12Å
348I98.8Very high98.3Very high0 Ų015.9 Ų15.90%09%0.085CC..Hα-helixtrans-67.8-35.1169.1-68.7165.5000110.3Y182 A183 T186 Q187 A248 E321 A324 G346Y182-I348 HydrophobicContact CD1-CD1 4.03Å; Y182-I348 HydrophobicContact CE1-CD1 3.94Å; A183-I348 HydrophobicContact CB-CG2 4.03Å; T186-I348 HydrophobicContact CG2-CB 3.71Å; T186-I348 HydrophobicContact CG2-CD1 4.44Å; T186-I348 HydrophobicContact CG2-CG2 3.77Å; Q187-I348 PolarHBondContact NE2-O 3.2Å; A248-I348 WeakPolarHBondContact O-CG2 3.43Å; E321-I348 HydrophobicContact CB-CD1 4.06Å; E321-I348 HydrophobicContact CB-CG1 3.9Å; E321-I348 WeakPolarHBondContact OE2-CB 3.3Å; E321-I348 PolarHBondContact OE2-N 3.39Å; A324-I348 HydrophobicContact CB-CD1 3.9Å; G346-I348 PolarHBondContact O-N 2.97Å; G346-I348 VanDerWaalsContact O-N 3.16Å
349A98.6Very high98.5Very high0 Ų012.8 Ų12.80%07%0.065CC..Hα-helixtrans-78.9-5417500000112.2W190 H222 P223 G346 A347W190-A349 HydrophobicContact CB-CB 3.73Å; W190-A349 HydrophobicContact CG-CB 4.09Å; H222-A349 CarbonylContact C-O 3.3Å; H222-A349 VanDerWaalsContact C-O 3.3Å; H222-A349 PolarHBondContact CD2-O 3.21Å; H222-A349 VanDerWaalsContact CD2-O 3.31Å; P223-A349 WeakPolarHBondContact CA-O 3.45Å; P223-A349 WeakPolarHBondContact CD-O 3.47Å; P223-A349 WeakPolarHBondContact CG-O 3.41Å; P223-A349 VanDerWaalsContact N-O 3.08Å; G346-A349 WeakPolarHBondContact O-CA 3.4Å; G346-A349 WeakPolarHBondContact O-CB 3.33Å; G346-A349 PolarHBondContact O-N 3.25Å; A347-A349 VanDerWaalsContact C-N 3.29Å
350I98.5Very high98.6Very high1 Ų16.5 Ų6.51%0.0054%0.035CC..Hα-helixtrans-98.3-5.8-168.666.6-178000114.9F17 W190 D220 P223 G346 R360F17-I350 WeakPolarHBondContact CB-O 3.35Å; F17-I350 HydrophobicContact CD2-CD1 4.45Å; F17-I350 HydrophobicContact CD2-CG1 4.28Å; W190-I350 HydrophobicContact CG-CG2 4.11Å; D220-I350 HydrophobicContact CB-CB 4.26Å; D220-I350 HydrophobicContact CB-CG2 4.04Å; P223-I350 HydrophobicContact CG-CG2 3.99Å; G346-I350 WeakPolarHBondContact O-CG1 3.43Å; G346-I350 PolarHBondContact O-N 3.22Å; I350-R360 VanDerWaalsContact CD1-CD 3.41Å
351G98.6Very high98.6Very high0 Ų03.4 Ų3.40%02%0.022CC..  trans89168.3-175.900000114.3S254 A347S254-G351 VanDerWaalsContact OG-C 3.31Å; S254-G351 WeakPolarHBondContact OG-CA 3.14Å; A347-G351 WeakPolarHBondContact CB-O 3.29Å; A347-G351 CarbonylContact O-C 3.57Å; A347-G351 WeakPolarHBondContact O-CA 3.45Å; A347-G351 PolarHBondContact O-N 3.09Å
352H98.8Very high98.6Very high12 Ų123.6 Ų3.66%0.0562%0.023CC..  trans-12578.5-177.6-174.729.2000112.7C92 S251 G252 S254 N320 A347 L354 S357C92-H352 PolarHBondContact SG-NE2 3.45Å; S251-H352 WeakPolarHBondContact OG-CB 3.47Å; G252-H352 PolarHBondContact O-N 2.84Å; S254-H352 PolarHBondContact OG-N 3.19Å; N320-H352 PolarHBondContact ND2-CE1 3.29Å; N320-H352 PolarHBondContact ND2-ND1 3.34Å; N320-H352 PolarHBondContact ND2-NE2 2.85Å; A347-H352 HydrophobicContact CB-CB 4.12Å; H352-L354 PolarHBondContact O-N 3.41Å; H352-L354 VanDerWaalsContact O-N 3.08Å; H352-S357 VanDerWaalsContact ND1-CB 3.32Å; H352-S357 WeakPolarHBondContact ND1-CB 3.36Å; H352-S357 PolarHBondContact ND1-OG 2.88Å
353P98.6Very high98.6Very high0 Ų03.5 Ų3.50%02%0.023CC..  trans-70.7106168.125.4-22.1000108.2F17 E120 S254 G355 A356 S357F17-P353 HydrophobicContact CD1-CG 4Å; F17-P353 VanDerWaalsContact CD2-CD 3.44Å; F17-P353 HydrophobicContact CD2-CG 3.5Å; F17-P353 HydrophobicContact CE1-CG 3.7Å; F17-P353 HydrophobicContact CE2-CG 3.17Å; F17-P353 HydrophobicContact CG-CG 3.9Å; F17-P353 HydrophobicContact CZ-CG 3.27Å; E120-P353 HydrophobicContact CB-CB 3.84Å; S254-P353 WeakPolarHBondContact OG-CD 3.25Å; S254-P353 VanDerWaalsContact OG-N 3.09Å; P353-G355 PolarHBondContact O-N 3.04Å; P353-A356 HydrophobicContact CB-CB 4.12Å; P353-A356 HydrophobicContact CG-CB 3.99Å; P353-A356 PolarHBondContact O-N 3.32Å; P353-S357 WeakPolarHBondContact CD-OG 3.24Å; P353-S357 PolarHBondContact O-N 2.91Å; P353-S357 PolarHBondContact O-OG 3.29Å
354L98Very high98.7Very high12 Ų122.4 Ų2.46%0.0631%0.013CC..THydrogen-bonded Turntrans-45.7-59.1-161.8-58.2175000113.6V59 M60 E120 M122 H352 A356V59-L354 HydrophobicContact CB-CB 4.1Å; V59-L354 HydrophobicContact CB-CD1 4.27Å; V59-L354 HydrophobicContact CG1-CD1 4.09Å; V59-L354 HydrophobicContact CG2-CB 3.8Å; M60-L354 HydrophobicContact CE-CD1 3.86Å; M60-L354 HydrophobicContact CG-CD1 4.37Å; E120-L354 HydrophobicContact CG-CB 4.16Å; M122-L354 HydrophobicContact CE-CD1 4.04Å; M122-L354 HydrophobicContact CE-CD2 4.38Å; M122-L354 HydrophobicContact CE-CG 3.92Å; M122-L354 HydrophobicContact SD-CG 4.15Å; H352-L354 PolarHBondContact O-N 3.41Å; H352-L354 VanDerWaalsContact O-N 3.08Å; L354-A356 VanDerWaalsContact C-N 3.31Å; L354-A356 PolarHBondContact O-N 3.49Å
355G98.3Very high98.7Very high0 Ų02.1 Ų2.10%01%0.011CC..THydrogen-bonded Turntrans-66.7-28-178.900000114.3G95 G118 E120 P353G95-G355 VanDerWaalsContact CA-O 3.23Å; G95-G355 WeakPolarHBondContact CA-O 3.38Å; G95-G355 PolarHBondContact N-O 3.42Å; G118-G355 VanDerWaalsContact CA-O 3.24Å; G118-G355 WeakPolarHBondContact CA-O 3.43Å; E120-G355 WeakPolarHBondContact OE2-CA 3.41Å; E120-G355 PolarHBondContact OE2-N 3.04Å; P353-G355 PolarHBondContact O-N 3.04Å
356A98.8Very high98.7Very high0 Ų02.1 Ų2.10%01%0.011CC..THydrogen-bonded Turntrans-89.9-29.3-172.700000114.6F17 G118 G256 P353 L354 G358 A359 R360F17-A356 HydrophobicContact CE1-CB 4.44Å; F17-A356 HydrophobicContact CZ-CB 4.23Å; G118-A356 WeakPolarHBondContact O-CB 3.39Å; G256-A356 WeakPolarHBondContact O-CB 3.21Å; P353-A356 HydrophobicContact CB-CB 4.12Å; P353-A356 HydrophobicContact CG-CB 3.99Å; P353-A356 PolarHBondContact O-N 3.32Å; L354-A356 VanDerWaalsContact C-N 3.31Å; L354-A356 PolarHBondContact O-N 3.49Å; A356-G358 VanDerWaalsContact C-N 3.29Å; A356-G358 PolarHBondContact O-N 3.5Å; A356-A359 PolarHBondContact O-N 2.77Å; A356-A359 VanDerWaalsContact O-N 3.08Å; A356-R360 PolarHBondContact O-N 2.9Å
357S98.9Very high98.7Very high1 Ų13.5 Ų3.51%0.0072%0.017CC..Hα-helixtrans-57-38.5-171.1-71.70000114H352 P353 R360 I361H352-S357 VanDerWaalsContact ND1-CB 3.32Å; H352-S357 WeakPolarHBondContact ND1-CB 3.36Å; H352-S357 PolarHBondContact ND1-OG 2.88Å; P353-S357 WeakPolarHBondContact CD-OG 3.24Å; P353-S357 PolarHBondContact O-N 2.91Å; P353-S357 PolarHBondContact O-OG 3.29Å; S357-R360 PolarHBondContact O-N 2.95Å; S357-I361 VanDerWaalsContact O-CG1 3.26Å; S357-I361 WeakPolarHBondContact O-CG1 3.43Å; S357-I361 PolarHBondContact O-N 3.24Å
358G98.9Very high98.7Very high0 Ų03.9 Ų3.90%02%0.019CC..Hα-helixtrans-64-43.2177.400000113.3F96 A356 I361 T362F96-G358 VanDerWaalsContact CE1-O 3.27Å; F96-G358 WeakPolarHBondContact CE1-O 3.45Å; A356-G358 VanDerWaalsContact C-N 3.29Å; A356-G358 PolarHBondContact O-N 3.5Å; G358-I361 PolarHBondContact O-N 3.47Å; G358-T362 PolarHBondContact O-N 2.8Å; G358-T362 PolarHBondContact O-OG1 2.84Å
359A98.9Very high98.7Very high0 Ų04 Ų40%02%0.019CC..Hα-helixtrans-69.8-34.217700000111.7A258 A356 T362 A363A258-A359 HydrophobicContact CB-CB 3.65Å; A356-A359 PolarHBondContact O-N 2.77Å; A356-A359 VanDerWaalsContact O-N 3.08Å; A359-T362 PolarHBondContact O-N 3.42Å; A359-A363 WeakPolarHBondContact O-CB 3.19Å; A359-A363 PolarHBondContact O-N 3.34Å
360R98.9Very high98.7Very high3 Ų37.8 Ų7.81%0.0113%0.034CC..Hα-helixtrans-62-48.2171.3-179.7-139.659.192.1-15.8111.4R14 F17 A258 E318 I350 A356 S357 T362 A363 H364R14-R360 HydrophobicContact CB-CG 4.43Å; R14-R360 HydrophobicContact CG-CG 4.2Å; F17-R360 HydrophobicContact CE2-CB 4.41Å; F17-R360 HydrophobicContact CE2-CG 4.27Å; F17-R360 HydrophobicContact CZ-CB 3.74Å; F17-R360 HydrophobicContact CZ-CG 3.88Å; A258-R360 HydrophobicContact CB-CB 4.24Å; E318-R360 IonicContact OE2-NH2 2.84Å; E318-R360 PolarHBondContact OE2-NH2 3.07Å; I350-R360 VanDerWaalsContact CD1-CD 3.41Å; A356-R360 PolarHBondContact O-N 2.9Å; S357-R360 PolarHBondContact O-N 2.95Å; R360-T362 VanDerWaalsContact C-N 3.32Å; R360-T362 PolarHBondContact O-N 2.95Å; R360-A363 PolarHBondContact O-N 3.46Å; R360-H364 WeakPolarHBondContact O-CB 3.49Å; R360-H364 PolarHBondContact O-N 3.12Å
361I98.9Very high98.7Very high0 Ų014.1 Ų14.10%06%0.057CC..Hα-helixtrans-57.1-48.3177.1-71.6163.1000110.1F96 E318 N320 S357 G358 A363 H364 L365F96-I361 HydrophobicContact CE1-CB 4.17Å; F96-I361 HydrophobicContact CE1-CG2 4.03Å; F96-I361 HydrophobicContact CE2-CD1 4.04Å; F96-I361 HydrophobicContact CZ-CB 3.65Å; F96-I361 HydrophobicContact CZ-CD1 3.86Å; F96-I361 HydrophobicContact CZ-CG1 4.34Å; F96-I361 HydrophobicContact CZ-CG2 3.58Å; E318-I361 HydrophobicContact CB-CG2 3.36Å; E318-I361 HydrophobicContact CG-CG2 3.86Å; N320-I361 HydrophobicContact CB-CD1 3.73Å; S357-I361 VanDerWaalsContact O-CG1 3.26Å; S357-I361 WeakPolarHBondContact O-CG1 3.43Å; S357-I361 PolarHBondContact O-N 3.24Å; G358-I361 PolarHBondContact O-N 3.47Å; I361-A363 VanDerWaalsContact C-N 3.34Å; I361-A363 PolarHBondContact O-N 3.42Å; I361-H364 PolarHBondContact O-N 3.4Å; I361-L365 HydrophobicContact CG2-CD1 4.02Å; I361-L365 HydrophobicContact CG2-CG 4.3Å; I361-L365 WeakPolarHBondContact O-CG 3.19Å; I361-L365 PolarHBondContact O-N 3.25Å
362T98.9Very high98.7Very high4 Ų417.6 Ų17.63%0.0258%0.075CC..Hα-helixtrans-60.2-44.3177.5-57.90000111.8I9 F96 I99 V260 G358 A359 R360 H364 L365 V366I9-T362 HydrophobicContact CD1-CG2 3.84Å; F96-T362 WeakPolarHBondContact CD1-OG1 3.38Å; F96-T362 VanDerWaalsContact CE1-OG1 3.29Å; F96-T362 WeakPolarHBondContact CE1-OG1 3.3Å; I99-T362 HydrophobicContact CD1-CG2 3.8Å; V260-T362 HydrophobicContact CG2-CG2 4.5Å; G358-T362 PolarHBondContact O-N 2.8Å; G358-T362 PolarHBondContact O-OG1 2.84Å; A359-T362 PolarHBondContact O-N 3.42Å; R360-T362 VanDerWaalsContact C-N 3.32Å; R360-T362 PolarHBondContact O-N 2.95Å; T362-H364 VanDerWaalsContact C-N 3.35Å; T362-H364 PolarHBondContact O-N 2.94Å; T362-L365 PolarHBondContact O-N 2.9Å; T362-V366 HydrophobicContact CG2-CG2 4.44Å; T362-V366 VanDerWaalsContact O-CG2 3.25Å; T362-V366 WeakPolarHBondContact O-CG2 3.38Å; T362-V366 PolarHBondContact O-N 3.46Å
363A98.9Very high98.6Very high0 Ų019.9 Ų19.90%010%0.102CC..Hα-helixtrans-59.3-47.3176.800000111.7A12 A359 R360 I361 V366 H367A12-A363 HydrophobicContact CB-CB 3.69Å; A359-A363 WeakPolarHBondContact O-CB 3.19Å; A359-A363 PolarHBondContact O-N 3.34Å; R360-A363 PolarHBondContact O-N 3.46Å; I361-A363 VanDerWaalsContact C-N 3.34Å; I361-A363 PolarHBondContact O-N 3.42Å; A363-V366 PolarHBondContact O-N 3.38Å; A363-H367 PolarHBondContact O-CD2 3.48Å; A363-H367 PolarHBondContact O-N 3.2Å
364H98.9Very high98.6Very high4 Ų420.2 Ų20.22%0.01911%0.106CC..Hα-helixtrans-59.8-50.7178.6-176.258.8000112.1Y199 E202 E318 D344 R360 I361 T362 V366 H367 E368Y199-H364 AromaticContact CD1-ND1 3.89Å; Y199-H364 AromaticContact CE1-CE1 3.75Å; Y199-H364 AromaticContact CE1-ND1 3.85Å; E202-H364 VanDerWaalsContact OE2-CA 3.24Å; E202-H364 WeakPolarHBondContact OE2-CA 3.42Å; E202-H364 WeakPolarHBondContact OE2-CB 3.42Å; E202-H364 IonicContact OE2-CE1 3.58Å; E202-H364 IonicContact OE2-CG 3.18Å; E202-H364 IonicContact OE2-ND1 2.94Å; E202-H364 PolarHBondContact OE2-ND1 3.34Å; E318-H364 IonicContact OE1-CD2 2.68Å; D344-H364 IonicContact OD2-CE1 3.18Å; D344-H364 PolarHBondContact OD2-CE1 3.26Å; D344-H364 IonicContact OD2-NE2 3.17Å; D344-H364 PolarHBondContact OD2-NE2 2.94Å; R360-H364 WeakPolarHBondContact O-CB 3.49Å; R360-H364 PolarHBondContact O-N 3.12Å; I361-H364 PolarHBondContact O-N 3.4Å; T362-H364 VanDerWaalsContact C-N 3.35Å; T362-H364 PolarHBondContact O-N 2.94Å; H364-V366 VanDerWaalsContact C-N 3.28Å; H364-V366 PolarHBondContact O-N 3.25Å; H364-H367 PolarHBondContact O-N 3.47Å; H364-H367 VanDerWaalsContact O-N 3.12Å; H364-E368 VanDerWaalsContact O-CB 3.32Å; H364-E368 WeakPolarHBondContact O-CB 3.46Å; H364-E368 PolarHBondContact O-N 2.85Å
365L98.9Very high98.7Very high5 Ų525.1 Ų25.13%0.02613%0.127CC..Hα-helixtrans-58.9-38178.1-72.5-179.8000112.7L316 E318 I361 T362 L369 A377 G379 I393L316-L365 HydrophobicContact CB-CD2 3.83Å; L316-L365 HydrophobicContact CD1-CD2 4.31Å; E318-L365 HydrophobicContact CB-CD1 4.13Å; E318-L365 HydrophobicContact CB-CD2 4.23Å; E318-L365 HydrophobicContact CB-CG 4.3Å; E318-L365 HydrophobicContact CG-CD1 4.28Å; E318-L365 HydrophobicContact CG-CD2 3.58Å; E318-L365 HydrophobicContact CG-CG 3.89Å; I361-L365 HydrophobicContact CG2-CD1 4.02Å; I361-L365 HydrophobicContact CG2-CG 4.3Å; I361-L365 WeakPolarHBondContact O-CG 3.19Å; I361-L365 PolarHBondContact O-N 3.25Å; T362-L365 PolarHBondContact O-N 2.9Å; L365-L369 WeakPolarHBondContact O-CB 3.42Å; L365-L369 PolarHBondContact O-N 3.4Å; L365-A377 HydrophobicContact CB-CB 4.24Å; L365-A377 HydrophobicContact CD1-CB 4.16Å; L365-A377 HydrophobicContact CD2-CB 3.98Å; L365-A377 HydrophobicContact CG-CB 4.37Å; L365-G379 VanDerWaalsContact CD1-CA 3.42Å; L365-G379 VanDerWaalsContact CD1-N 3.34Å; L365-I393 HydrophobicContact CB-CD1 3.83Å
366V98.8Very high98.7Very high0 Ų026.6 Ų26.60%013%0.133CC..Hα-helixtrans-61.4-45.2176.9168.30000111.1I9 L276 A277 T362 A363 H364 R370 I393I9-V366 HydrophobicContact CB-CG2 4.46Å; I9-V366 HydrophobicContact CD1-CG2 3.6Å; I9-V366 HydrophobicContact CG2-CG1 4.44Å; I9-V366 HydrophobicContact CG2-CG2 4.11Å; L276-V366 HydrophobicContact CB-CG1 3.58Å; L276-V366 HydrophobicContact CD1-CG1 3.99Å; L276-V366 HydrophobicContact CG-CG1 4.45Å; A277-V366 HydrophobicContact CB-CG1 4.47Å; A277-V366 HydrophobicContact CB-CG2 4.09Å; T362-V366 HydrophobicContact CG2-CG2 4.44Å; T362-V366 VanDerWaalsContact O-CG2 3.25Å; T362-V366 WeakPolarHBondContact O-CG2 3.38Å; T362-V366 PolarHBondContact O-N 3.46Å; A363-V366 PolarHBondContact O-N 3.38Å; H364-V366 VanDerWaalsContact C-N 3.28Å; H364-V366 PolarHBondContact O-N 3.25Å; V366-R370 WeakPolarHBondContact O-CD 3.34Å; V366-R370 WeakPolarHBondContact O-CG 3.34Å; V366-I393 HydrophobicContact CB-CD1 4.46Å; V366-I393 HydrophobicContact CG2-CD1 3.72Å
367H98.8Very high98.7Very high31 Ų3126.6 Ų26.614%0.14413%0.133CC..Hα-helixtrans-76.4-43.3-178.1-68.6-66000112.2A12 A201 A363 H364 R370 R371A12-H367 PolarHBondContact O-NE2 3.01Å; A201-H367 HydrophobicContact CB-CB 4.28Å; A363-H367 PolarHBondContact O-CD2 3.48Å; A363-H367 PolarHBondContact O-N 3.2Å; H364-H367 PolarHBondContact O-N 3.47Å; H364-H367 VanDerWaalsContact O-N 3.12Å; H367-R370 PolarHBondContact O-N 3.41Å; H367-R371 WeakPolarHBondContact O-CB 3.47Å; H367-R371 PolarHBondContact O-N 3.28Å
368E98.8Very high98.7Very high8 Ų826.6 Ų26.64%0.03713%0.132CC..Hα-helixtrans-71.2-41.4-176-175.655.3-161.200111.9L316 H364 R370 R371 I372L316-E368 HydrophobicContact CD1-CB 4Å; L316-E368 HydrophobicContact CD1-CG 3.71Å; L316-E368 HydrophobicContact CD2-CG 4.49Å; H364-E368 VanDerWaalsContact O-CB 3.32Å; H364-E368 WeakPolarHBondContact O-CB 3.46Å; H364-E368 PolarHBondContact O-N 2.85Å; E368-R370 PolarHBondContact O-N 3.18Å; E368-R371 VanDerWaalsContact CD-NE 3.33Å; E368-R371 WeakPolarHBondContact O-CB 3.44Å; E368-R371 PolarHBondContact O-N 2.95Å; E368-R371 VanDerWaalsContact O-N 3.08Å; E368-R371 IonicContact OE1-CZ 2.87Å; E368-R371 VanDerWaalsContact OE1-CZ 3.32Å; E368-R371 IonicContact OE1-NE 2.93Å; E368-R371 PolarHBondContact OE1-NE 3.12Å; E368-R371 IonicContact OE1-NH2 2.95Å; E368-R371 PolarHBondContact OE1-NH2 2.99Å; E368-R371 WeakPolarHBondContact OE2-CD 3.3Å; E368-R371 IonicContact OE2-CZ 2.65Å; E368-R371 IonicContact OE2-NE 3.32Å; E368-R371 PolarHBondContact OE2-NE 2.91Å; E368-R371 IonicContact OE2-NH2 3.75Å; E368-I372 WeakPolarHBondContact O-CG1 3.17Å; E368-I372 PolarHBondContact O-N 2.81Å; E368-I372 WeakPolarHBondContact OE1-CG2 3.23Å
369L98.7Very high98.7Very high2 Ų226.6 Ų26.61%0.0113%0.133CC..Hα-helixtrans-58.3-39175.3-17365000111.4D315 L316 L365 I372 G373 G374 A377 I393 N395D315-L369 HydrophobicContact CB-CD1 3.98Å; L316-L369 HydrophobicContact CD1-CB 4.01Å; L316-L369 HydrophobicContact CD1-CD1 4.21Å; L316-L369 HydrophobicContact CG-CD1 4.49Å; L365-L369 WeakPolarHBondContact O-CB 3.42Å; L365-L369 PolarHBondContact O-N 3.4Å; L369-I372 WeakPolarHBondContact O-CG1 3.18Å; L369-G373 PolarHBondContact O-N 3.41Å; L369-G374 PolarHBondContact O-N 2.63Å; L369-A377 HydrophobicContact CD1-CB 4.2Å; L369-A377 HydrophobicContact CD2-CB 3.91Å; L369-A377 HydrophobicContact CG-CB 4.46Å; L369-I393 HydrophobicContact CD2-CD1 4.34Å; L369-I393 HydrophobicContact CD2-CG1 4.19Å; L369-N395 HydrophobicContact CD2-CB 3.9Å; L369-N395 HydrophobicContact CG-CB 4.06Å
370R98.5Very high98.7Very high80 Ų8026.6 Ų26.630%0.30213%0.133SC..Hα-helixtrans-69.3-43.5174.7-68.7171.667.872.76.7112L276 V366 H367 E368 I372 G373 N395L276-R370 PolarHBondContact O-NH1 3.15Å; V366-R370 WeakPolarHBondContact O-CD 3.34Å; V366-R370 WeakPolarHBondContact O-CG 3.34Å; H367-R370 PolarHBondContact O-N 3.41Å; E368-R370 PolarHBondContact O-N 3.18Å; R370-I372 VanDerWaalsContact C-N 3.27Å; R370-I372 PolarHBondContact O-N 2.77Å; R370-G373 PolarHBondContact O-N 3.07Å; R370-G373 VanDerWaalsContact O-N 3.07Å; R370-N395 WeakPolarHBondContact CG-OD1 3.07Å
371R98.3Very high98.7Very high134 Ų13426.5 Ų26.551%0.50613%0.133SC..Hα-helixtrans-58.3-41.2-179.8-169.2-166.87080-0.6111.4H198 H367 E368 G373H198-R371 PolarHBondContact CE1-NH2 3.44Å; H367-R371 WeakPolarHBondContact O-CB 3.47Å; H367-R371 PolarHBondContact O-N 3.28Å; E368-R371 VanDerWaalsContact CD-NE 3.33Å; E368-R371 WeakPolarHBondContact O-CB 3.44Å; E368-R371 PolarHBondContact O-N 2.95Å; E368-R371 VanDerWaalsContact O-N 3.08Å; E368-R371 IonicContact OE1-CZ 2.87Å; E368-R371 VanDerWaalsContact OE1-CZ 3.32Å; E368-R371 IonicContact OE1-NE 2.93Å; E368-R371 PolarHBondContact OE1-NE 3.12Å; E368-R371 IonicContact OE1-NH2 2.95Å; E368-R371 PolarHBondContact OE1-NH2 2.99Å; E368-R371 WeakPolarHBondContact OE2-CD 3.3Å; E368-R371 IonicContact OE2-CZ 2.65Å; E368-R371 IonicContact OE2-NE 3.32Å; E368-R371 PolarHBondContact OE2-NE 2.91Å; E368-R371 IonicContact OE2-NH2 3.75Å; R371-G373 VanDerWaalsContact C-N 3.32Å
372I97.8Very high98.7Very high73 Ų7326.5 Ų26.537%0.37413%0.133SC..THydrogen-bonded Turntrans-85.3-3.2179.372.1174.7000113.5D315 L316 E368 L369 R370 G374D315-I372 HydrophobicContact CB-CD1 4.39Å; L316-I372 HydrophobicContact CD1-CD1 3.86Å; L316-I372 HydrophobicContact CD2-CD1 3.95Å; L316-I372 HydrophobicContact CG-CD1 3.74Å; E368-I372 WeakPolarHBondContact O-CG1 3.17Å; E368-I372 PolarHBondContact O-N 2.81Å; E368-I372 WeakPolarHBondContact OE1-CG2 3.23Å; L369-I372 WeakPolarHBondContact O-CG1 3.18Å; R370-I372 VanDerWaalsContact C-N 3.27Å; R370-I372 PolarHBondContact O-N 2.77Å; I372-G374 PolarHBondContact O-N 3.31Å
373G98.1Very high98.7Very high60 Ų6026.3 Ų26.362%0.61913%0.131SC*.THydrogen-bonded Turntrans62.627.3-174.100000113.3L369 R370 R371L369-G373 PolarHBondContact O-N 3.41Å; R370-G373 PolarHBondContact O-N 3.07Å; R370-G373 VanDerWaalsContact O-N 3.07Å; R371-G373 VanDerWaalsContact C-N 3.32Å
374G98.3Very high98.6Very high8 Ų826.5 Ų26.58%0.08213%0.133CC..  trans-77.9164.2178.900000111.4L369 I372 N395L369-G374 PolarHBondContact O-N 2.63Å; I372-G374 PolarHBondContact O-N 3.31Å; G374-N395 WeakPolarHBondContact O-CB 3.34Å; G374-N395 PolarHBondContact O-ND2 2.69Å
375K98.5Very high98.6Very high114 Ų11428 Ų2850%0.49615%0.15SC..SBendtrans-99.4-49.6-175.7-171.7173.7-177.1175.60112.9D315 E394 N395D315-K375 WeakPolarHBondContact OD2-CA 3.47Å; D315-K375 PolarHBondContact OD2-N 3.04Å; K375-E394 WeakPolarHBondContact CE-OE1 3.14Å; K375-E394 HydrophobicContact CG-CG 4.42Å; K375-E394 CarbonylContact O-C 3.58Å; K375-E394 VanDerWaalsContact O-CA 3.26Å; K375-E394 WeakPolarHBondContact O-CA 3.45Å; K375-N395 PolarHBondContact O-N 3.09Å
376Y98.9Very high98.6Very high32 Ų3228 Ų2813%0.12515%0.15CC..EExtended strand (participates in β ladder)trans-128.4144.3-175.7-62.8-70.1000112.8V280 L309 D313 M314 D315 L316 I393 E394V280-Y376 HydrophobicContact CG2-CD1 4.29Å; V280-Y376 HydrophobicContact CG2-CE1 4.16Å; L309-Y376 HydrophobicContact CD1-CD1 4.04Å; L309-Y376 HydrophobicContact CD1-CD2 4.4Å; L309-Y376 HydrophobicContact CD1-CE1 3.99Å; L309-Y376 HydrophobicContact CD1-CE2 4.34Å; L309-Y376 HydrophobicContact CD1-CG 4.24Å; L309-Y376 HydrophobicContact CD2-CE2 3.96Å; D313-Y376 HydrophobicContact CB-CD2 4.4Å; M314-Y376 VanDerWaalsContact CE-CB 3.4Å; M314-Y376 HydrophobicContact CE-CD2 4.4Å; M314-Y376 HydrophobicContact CE-CG 4.02Å; D315-Y376 PolarHBondContact N-O 2.96Å; D315-Y376 PolarHBondContact OD2-N 3.11Å; L316-Y376 PolarHBondContact N-O 2.83Å; Y376-I393 WeakPolarHBondContact CA-O 3.33Å; Y376-E394 HydrophobicContact CD1-CB 3.7Å; Y376-E394 HydrophobicContact CD1-CG 3.89Å; Y376-E394 HydrophobicContact CE1-CB 3.61Å; Y376-E394 HydrophobicContact CE1-CG 3.53Å; Y376-E394 PolarHBondContact OH-OE1 2.87Å
377A98.9Very high98.6Very high0 Ų030.4 Ų30.40%016%0.162CC..EExtended strand (participates in β ladder)trans-136.2152.5169.700000111.8L316 L365 L369 I392 I393L316-A377 HydrophobicContact CB-CB 3.87Å; L316-A377 WeakPolarHBondContact O-CA 3.4Å; L365-A377 HydrophobicContact CB-CB 4.24Å; L365-A377 HydrophobicContact CD1-CB 4.16Å; L365-A377 HydrophobicContact CD2-CB 3.98Å; L365-A377 HydrophobicContact CG-CB 4.37Å; L369-A377 HydrophobicContact CD1-CB 4.2Å; L369-A377 HydrophobicContact CD2-CB 3.91Å; L369-A377 HydrophobicContact CG-CB 4.46Å; A377-I392 CarbonylContact O-C 3.57Å; A377-I392 WeakPolarHBondContact O-CA 3.35Å; A377-I393 HydrophobicContact CB-CD1 4.33Å; A377-I393 HydrophobicContact CB-CG1 3.91Å; A377-I393 PolarHBondContact N-O 3.31Å; A377-I393 PolarHBondContact O-N 3.45Å
378V98.9Very high98.6Very high0 Ų029 Ų290%016%0.155CC..EExtended strand (participates in β ladder)trans-124.3125.3171.261.90000110.9I300 M314 L316 V317 E318 A390 I391 I392I300-V378 HydrophobicContact CG1-CG2 4.12Å; I300-V378 HydrophobicContact CG2-CG2 4.48Å; M314-V378 HydrophobicContact CG-CG1 3.93Å; M314-V378 HydrophobicContact SD-CB 3.89Å; M314-V378 HydrophobicContact SD-CG1 3.93Å; L316-V378 PolarHBondContact O-N 2.95Å; V317-V378 CarbonylContact C-O 3.55Å; V317-V378 WeakPolarHBondContact CA-O 3.49Å; V317-V378 HydrophobicContact CB-CG1 4.26Å; V317-V378 HydrophobicContact CG1-CG1 4.02Å; V317-V378 HydrophobicContact CG2-CG1 3.91Å; E318-V378 PolarHBondContact N-O 2.88Å; V378-A390 HydrophobicContact CG2-CB 4.18Å; V378-I391 WeakPolarHBondContact CA-O 3.28Å; V378-I392 HydrophobicContact CB-CG1 4.09Å; V378-I392 HydrophobicContact CG2-CG1 3.88Å
379G98.9Very high98.6Very high1 Ų128.6 Ų28.61%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-107.4138172.800000110.8E318 L365 A390 I391E318-G379 CarbonylContact O-C 3.54Å; L365-G379 VanDerWaalsContact CD1-CA 3.42Å; L365-G379 VanDerWaalsContact CD1-N 3.34Å; G379-A390 CarbonylContact O-C 3.52Å; G379-A390 VanDerWaalsContact O-CA 3.24Å; G379-A390 WeakPolarHBondContact O-CA 3.2Å; G379-I391 PolarHBondContact N-O 2.86Å; G379-I391 PolarHBondContact O-N 3.01Å
380S98.9Very high98.6Very high0 Ų028.5 Ų28.50%015%0.153CC..EExtended strand (participates in β ladder)trans-148.7160-175.470.70000113.9E318 N320 I389E318-S380 PolarHBondContact O-N 3.39Å; E318-S380 PolarHBondContact O-OG 3.37Å; N320-S380 PolarHBondContact N-O 3.36Å; S380-I389 WeakPolarHBondContact CA-O 2.98Å; S380-I389 VanDerWaalsContact CB-O 3.24Å; S380-I389 WeakPolarHBondContact CB-O 3.43Å
381A98.9Very high98.6Very high1 Ų124.9 Ų24.91%0.00814%0.139CC..EExtended strand (participates in β ladder)trans-145.5145.517200000111.6F96 N320 G388 I389F96-A381 HydrophobicContact CD2-CB 4.23Å; F96-A381 HydrophobicContact CE2-CB 3.85Å; N320-A381 HydrophobicContact CB-CB 3.87Å; A381-G388 WeakPolarHBondContact O-CA 3.35Å; A381-I389 HydrophobicContact CB-CG2 4.18Å; A381-I389 PolarHBondContact N-O 3.38Å; A381-I389 VanDerWaalsContact N-O 3.09Å; A381-I389 PolarHBondContact O-N 3.08Å; A381-I389 VanDerWaalsContact O-N 3.13Å
382C98.7Very high98.6Very high0 Ų018.5 Ų18.50%012%0.115CC..EExtended strand (participates in β ladder)trans-72.9158.9159.463.80000109.7C92 M292 G293 P296C92-C382 WeakPolarHBondContact CB-O 3.34Å; M292-C382 HydrophobicContact SD-CB 4.1Å; G293-C382 WeakPolarHBondContact O-CB 3.46Å; P296-C382 HydrophobicContact CG-CB 4.13Å
383I98.9Very high98.7Very high0 Ų015.1 Ų15.10%010%0.098CC..EExtended strand (participates in β ladder)trans-139.6123.3-174.1-54.7-179.7000108.7R90 L91 G386 Q387 I389R90-I383 HydrophobicContact CG-CD1 3.85Å; R90-I383 HydrophobicContact CG-CG2 4.37Å; R90-I383 WeakPolarHBondContact O-CG2 3.35Å; L91-I383 HydrophobicContact CB-CG2 3.81Å; I383-G386 PolarHBondContact O-N 2.94Å; I383-G386 VanDerWaalsContact O-N 3.13Å; I383-Q387 HydrophobicContact CB-CB 3.83Å; I383-Q387 WeakPolarHBondContact CB-O 3.31Å; I383-Q387 HydrophobicContact CD1-CB 4.06Å; I383-Q387 HydrophobicContact CG1-CB 4.38Å; I383-Q387 HydrophobicContact CG2-CB 4.18Å; I383-Q387 PolarHBondContact N-O 3.02Å; I383-Q387 PolarHBondContact O-N 3.42Å; I383-Q387 VanDerWaalsContact O-N 3.12Å; I383-I389 HydrophobicContact CD1-CB 4.05Å; I383-I389 HydrophobicContact CD1-CG2 3.88Å; I383-I389 HydrophobicContact CG1-CG2 4.41Å
384G97.9Very high98.7Very high4 Ų414.1 Ų14.14%0.0418%0.077CC..THydrogen-bonded Turntrans-50.1143.117400000111.9G386G384-G386 VanDerWaalsContact C-N 3.33Å
385G97.9Very high98.7Very high35 Ų3514.5 Ų14.536%0.3618%0.078SC..THydrogen-bonded Turntrans82.74.7-170.900000114.9D154 P289D154-G385 WeakPolarHBondContact OD2-CA 3.21Å; P289-G385 WeakPolarHBondContact CG-O 3.49Å
386G98.5Very high98.5Very high4 Ų411 Ų114%0.0417%0.066CC..THydrogen-bonded Turntrans90.657.8168.900000114.1G286 C287 I383 G384G286-G386 CarbonylContact C-O 3.42Å; G286-G386 WeakPolarHBondContact CA-O 3.46Å; C287-G386 PolarHBondContact N-O 3.11Å; C287-G386 VanDerWaalsContact O-O 3.08Å; I383-G386 PolarHBondContact O-N 2.94Å; I383-G386 VanDerWaalsContact O-N 3.13Å; G384-G386 VanDerWaalsContact C-N 3.33Å
387Q98.9Very high97.6Very high52 Ų5217.9 Ų17.924%0.24310%0.099CC..EExtended strand (participates in β ladder)trans-139.2169.3171.5-66.8169.17500111.5S285 I383S285-Q387 CarbonylContact O-C 3.49Å; S285-Q387 WeakPolarHBondContact O-CA 3.44Å; S285-Q387 WeakPolarHBondContact O-CB 3.47Å; I383-Q387 HydrophobicContact CB-CB 3.83Å; I383-Q387 WeakPolarHBondContact CB-O 3.31Å; I383-Q387 HydrophobicContact CD1-CB 4.06Å; I383-Q387 HydrophobicContact CG1-CB 4.38Å; I383-Q387 HydrophobicContact CG2-CB 4.18Å; I383-Q387 PolarHBondContact N-O 3.02Å; I383-Q387 PolarHBondContact O-N 3.42Å; I383-Q387 VanDerWaalsContact O-N 3.12Å
388G98.9Very high97.5Very high0 Ų018.8 Ų18.80%010%0.104CC..EExtended strand (participates in β ladder)trans-144.1155.9166.500000111.9V284 S285 A381V284-G388 CarbonylContact C-O 3.56Å; V284-G388 VanDerWaalsContact CA-O 3.29Å; V284-G388 WeakPolarHBondContact CA-O 3.45Å; S285-G388 PolarHBondContact N-O 3.35Å; S285-G388 PolarHBondContact O-N 2.89Å; A381-G388 WeakPolarHBondContact O-CA 3.35Å
389I98.9Very high97.5Very high0 Ų019.7 Ų19.70%011%0.109CC..EExtended strand (participates in β ladder)trans-136.2144-179.2-174.5158000109.7F96 Q97 I100 H283 V284 S380 A381 I383F96-I389 HydrophobicContact CB-CD1 3.51Å; F96-I389 HydrophobicContact CB-CG1 3.84Å; F96-I389 HydrophobicContact CB-CG2 4.15Å; F96-I389 HydrophobicContact CD2-CG2 3.68Å; F96-I389 HydrophobicContact CE2-CG2 4.45Å; F96-I389 HydrophobicContact CG-CG2 4.25Å; Q97-I389 HydrophobicContact CB-CD1 4.15Å; I100-I389 HydrophobicContact CD1-CD1 3.51Å; I100-I389 HydrophobicContact CD1-CG1 3.81Å; H283-I389 CarbonylContact O-C 3.56Å; H283-I389 WeakPolarHBondContact O-CA 3.33Å; V284-I389 HydrophobicContact CG2-CB 4.32Å; V284-I389 HydrophobicContact CG2-CD1 3.85Å; V284-I389 HydrophobicContact CG2-CG1 3.87Å; S380-I389 WeakPolarHBondContact CA-O 2.98Å; S380-I389 VanDerWaalsContact CB-O 3.24Å; S380-I389 WeakPolarHBondContact CB-O 3.43Å; A381-I389 HydrophobicContact CB-CG2 4.18Å; A381-I389 PolarHBondContact N-O 3.38Å; A381-I389 VanDerWaalsContact N-O 3.09Å; A381-I389 PolarHBondContact O-N 3.08Å; A381-I389 VanDerWaalsContact O-N 3.13Å; I383-I389 HydrophobicContact CD1-CB 4.05Å; I383-I389 HydrophobicContact CD1-CG2 3.88Å; I383-I389 HydrophobicContact CG1-CG2 4.41Å
390A98.9Very high97.4Very high0 Ų020.8 Ų20.80%011%0.114CC..EExtended strand (participates in β ladder)trans-143.4143.1173.600000111.5Y282 H283 A299 I300 A303 V378 G379Y282-A390 CarbonylContact C-O 3.53Å; Y282-A390 WeakPolarHBondContact CA-O 3.44Å; Y282-A390 VanDerWaalsContact CB-O 3.3Å; Y282-A390 WeakPolarHBondContact CB-O 3.44Å; H283-A390 PolarHBondContact N-O 3.29Å; H283-A390 PolarHBondContact O-N 3.18Å; A299-A390 HydrophobicContact CB-CB 3.99Å; I300-A390 HydrophobicContact CG1-CB 3.96Å; A303-A390 HydrophobicContact CB-CB 4.18Å; V378-A390 HydrophobicContact CG2-CB 4.18Å; G379-A390 CarbonylContact O-C 3.52Å; G379-A390 VanDerWaalsContact O-CA 3.24Å; G379-A390 WeakPolarHBondContact O-CA 3.2Å
391I98.9Very high97.3Very high4 Ų422 Ų222%0.02112%0.121CC..EExtended strand (participates in β ladder)trans-127.1131.1171.4-58.7-174.1000108.6F96 I99 I100 I279 V378 G379 I393F96-I391 HydrophobicContact CB-CD1 4.03Å; F96-I391 HydrophobicContact CB-CG1 4.42Å; F96-I391 HydrophobicContact CD1-CB 4.49Å; F96-I391 HydrophobicContact CD1-CD1 3.83Å; F96-I391 HydrophobicContact CD1-CG1 4.04Å; F96-I391 HydrophobicContact CG-CD1 4.42Å; I99-I391 HydrophobicContact CB-CD1 4Å; I99-I391 HydrophobicContact CG2-CD1 4Å; I100-I391 HydrophobicContact CD1-CD1 4.47Å; I100-I391 HydrophobicContact CD1-CG1 4.28Å; I100-I391 HydrophobicContact CG1-CD1 3.88Å; I100-I391 HydrophobicContact CG1-CG1 4.11Å; I279-I391 HydrophobicContact CG2-CG2 4.13Å; V378-I391 WeakPolarHBondContact CA-O 3.28Å; G379-I391 PolarHBondContact N-O 2.86Å; G379-I391 PolarHBondContact O-N 3.01Å; I391-I393 HydrophobicContact CG2-CG2 4.19Å
392I98.9Very high97.2Very high0 Ų023.3 Ų23.30%013%0.128CC..EExtended strand (participates in β ladder)trans-101.5130.3172.6-58.6173.6000108.7V280 A281 A303 L304 A307 L309 M314 A377 V378V280-I392 HydrophobicContact CB-CB 4.22Å; V280-I392 HydrophobicContact CB-CG2 3.89Å; V280-I392 HydrophobicContact CG1-CG2 4.46Å; V280-I392 HydrophobicContact CG2-CG2 4.14Å; V280-I392 PolarHBondContact N-O 3.37Å; A281-I392 HydrophobicContact CB-CD1 4.36Å; A281-I392 PolarHBondContact O-N 3.26Å; A303-I392 VanDerWaalsContact C-CD1 3.47Å; A303-I392 HydrophobicContact CB-CD1 3.9Å; A303-I392 HydrophobicContact CB-CG1 4.2Å; A303-I392 WeakPolarHBondContact O-CD1 3.47Å; L304-I392 HydrophobicContact CB-CD1 4.5Å; L304-I392 HydrophobicContact CD2-CD1 3.8Å; L304-I392 HydrophobicContact CG-CD1 4.12Å; A307-I392 HydrophobicContact CB-CD1 4.04Å; L309-I392 HydrophobicContact CD1-CG2 4.24Å; M314-I392 HydrophobicContact CE-CG2 4.46Å; M314-I392 HydrophobicContact SD-CG2 4.4Å; A377-I392 CarbonylContact O-C 3.57Å; A377-I392 WeakPolarHBondContact O-CA 3.35Å; V378-I392 HydrophobicContact CB-CG1 4.09Å; V378-I392 HydrophobicContact CG2-CG1 3.88Å
393I98.9Very high97.1Very high3 Ų324.9 Ų24.92%0.01514%0.137CC..EExtended strand (participates in β ladder)trans-117149.8173.664.6172.2000110.6I9 A277 R278 L365 V366 L369 Y376 A377 I391I9-I393 HydrophobicContact CD1-CG2 3.97Å; A277-I393 HydrophobicContact CB-CB 4.25Å; A277-I393 HydrophobicContact CB-CD1 4.31Å; R278-I393 CarbonylContact O-C 3.55Å; R278-I393 VanDerWaalsContact O-CA 3.27Å; R278-I393 WeakPolarHBondContact O-CA 3.21Å; L365-I393 HydrophobicContact CB-CD1 3.83Å; V366-I393 HydrophobicContact CB-CD1 4.46Å; V366-I393 HydrophobicContact CG2-CD1 3.72Å; L369-I393 HydrophobicContact CD2-CD1 4.34Å; L369-I393 HydrophobicContact CD2-CG1 4.19Å; Y376-I393 WeakPolarHBondContact CA-O 3.33Å; A377-I393 HydrophobicContact CB-CD1 4.33Å; A377-I393 HydrophobicContact CB-CG1 3.91Å; A377-I393 PolarHBondContact N-O 3.31Å; A377-I393 PolarHBondContact O-N 3.45Å; I391-I393 HydrophobicContact CG2-CG2 4.19Å
394E98.8Very high96.9Very high38 Ų3826.6 Ų26.618%0.17815%0.147CC..EExtended strand (participates in β ladder)trans-116.2132.2171.2-178.3-179.6-140.800109A277 R278 V280 K375 Y376A277-E394 CarbonylContact C-O 3.52Å; A277-E394 WeakPolarHBondContact CA-O 3.2Å; A277-E394 WeakPolarHBondContact CB-O 3.4Å; R278-E394 HydrophobicContact CB-CB 4.5Å; R278-E394 IonicContact CZ-OE2 3.6Å; R278-E394 PolarHBondContact N-O 3.36Å; R278-E394 IonicContact NE-OE2 3.87Å; R278-E394 PolarHBondContact NE-OE2 2.94Å; R278-E394 IonicContact NH2-OE2 3.86Å; R278-E394 PolarHBondContact NH2-OE2 3.43Å; R278-E394 PolarHBondContact O-N 3.47Å; V280-E394 HydrophobicContact CG2-CB 3.49Å; V280-E394 VanDerWaalsContact CG2-CB 3.49Å; K375-E394 WeakPolarHBondContact CE-OE1 3.14Å; K375-E394 HydrophobicContact CG-CG 4.42Å; K375-E394 CarbonylContact O-C 3.58Å; K375-E394 VanDerWaalsContact O-CA 3.26Å; K375-E394 WeakPolarHBondContact O-CA 3.45Å; Y376-E394 HydrophobicContact CD1-CB 3.7Å; Y376-E394 HydrophobicContact CD1-CG 3.89Å; Y376-E394 HydrophobicContact CE1-CB 3.61Å; Y376-E394 HydrophobicContact CE1-CG 3.53Å; Y376-E394 PolarHBondContact OH-OE1 2.87Å
395N97.8Very high96.9Very high17 Ų1728.4 Ų28.49%0.09116%0.155CC..EExtended strand (participates in β ladder)trans-66.2137.4172.6-175.56.6000110.6L369 R370 G374 K375 H397L369-N395 HydrophobicContact CD2-CB 3.9Å; L369-N395 HydrophobicContact CG-CB 4.06Å; R370-N395 WeakPolarHBondContact CG-OD1 3.07Å; G374-N395 WeakPolarHBondContact O-CB 3.34Å; G374-N395 PolarHBondContact O-ND2 2.69Å; K375-N395 PolarHBondContact O-N 3.09Å; N395-H397 PolarHBondContact ND2-O 3.45Å; N395-H397 PolarHBondContact OD1-N 3.3Å; N395-H397 VanDerWaalsContact OD1-N 3.12Å; N395-H397 PolarHBondContact OD1-O 2.87Å
396T94.8Very high96.8Very high41 Ų4127.8 Ų27.825%0.25214%0.138SC..  trans-82.6-12.2178.849.30000114.3F8 P275 L276F8-T396 HydrophobicContact CD1-CG2 4Å; F8-T396 HydrophobicContact CE1-CG2 4.05Å; P275-T396 HydrophobicContact CB-CG2 3.99Å; P275-T396 HydrophobicContact CG-CG2 4.3Å; P275-T396 PolarHBondContact O-OG1 2.62Å; L276-T396 PolarHBondContact O-OG1 2.91Å
397H79.3Confident96.6Very high175 Ų17530 Ų3081%0.8115%0.146SC*.  trans-137.50-173.8-66.8-51.8000113.7N395N395-H397 PolarHBondContact ND2-O 3.45Å; N395-H397 PolarHBondContact OD1-N 3.3Å; N395-H397 VanDerWaalsContact OD1-N 3.12Å; N395-H397 PolarHBondContact OD1-O 2.87Å

Retrieved 397 of 397 residues in 298.4 ms (Link to these results)

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