A0A077ZKF3_TRITR Loading...

TraF 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKF3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 365 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
1M96Very high96.5Very high39 Ų3924.6 Ų24.619%0.19217%0.169CC..  052.30-64.1-170.8-69.800111G3 T4 E304 R314 T315M1-G3 PolarHBondContact O-N 3.42Å; M1-T4 VanDerWaalsContact CB-OG1 3.29Å; M1-T4 WeakPolarHBondContact CB-OG1 3.48Å; M1-T4 WeakPolarHBondContact O-CG2 3.12Å; M1-T4 PolarHBondContact O-N 2.88Å; M1-T4 VanDerWaalsContact O-N 3.08Å; M1-T4 PolarHBondContact O-OG1 3.47Å; M1-E304 HydrophobicContact CG-CB 4.5Å; M1-E304 HydrophobicContact SD-CB 3.88Å; M1-R314 HydrophobicContact CG-CB 4.28Å; M1-R314 HydrophobicContact CG-CG 4.24Å; M1-T315 WeakPolarHBondContact CA-O 3.46Å
2G94.6Very high96.4Very high3 Ų322.6 Ų22.63%0.03116%0.155CC..THydrogen-bonded Turntrans68.41-179.100000115.8A300 R318 T330G2-A300 WeakPolarHBondContact O-CB 3.36Å; G2-R318 WeakPolarHBondContact O-CB 3.25Å; G2-T330 WeakPolarHBondContact CA-OG1 3.48Å; G2-T330 PolarHBondContact N-OG1 2.95Å
3G94.6Very high96.3Very high69 Ų6922.5 Ų22.571%0.71115%0.153SC*.THydrogen-bonded Turntrans94.75.8-171.800000113.9M1M1-G3 PolarHBondContact O-N 3.42Å
4T98.1Very high96.4Very high14 Ų1420.9 Ų20.99%0.08614%0.143CC..  trans-68149.717262.60000111.8M1 A279 D281 A300M1-T4 VanDerWaalsContact CB-OG1 3.29Å; M1-T4 WeakPolarHBondContact CB-OG1 3.48Å; M1-T4 WeakPolarHBondContact O-CG2 3.12Å; M1-T4 PolarHBondContact O-N 2.88Å; M1-T4 VanDerWaalsContact O-N 3.08Å; M1-T4 PolarHBondContact O-OG1 3.47Å; T4-A279 HydrophobicContact CG2-CB 4.26Å; T4-A279 WeakPolarHBondContact OG1-CB 3.16Å; T4-D281 WeakPolarHBondContact CA-OD2 3.5Å; T4-D281 HydrophobicContact CG2-CB 4.03Å; T4-A300 HydrophobicContact CG2-CB 3.74Å; T4-A300 VanDerWaalsContact CG2-O 3.23Å; T4-A300 WeakPolarHBondContact CG2-O 3.24Å
5G97.5Very high96.4Very high3 Ų319.7 Ų19.73%0.03113%0.134CC..  trans176.9-8.2179.900000114.6A7 S8 S9 L21 D281G5-A7 PolarHBondContact O-N 3.23Å; G5-S8 PolarHBondContact O-N 3.36Å; G5-S9 VanDerWaalsContact CA-OG 3.24Å; G5-S9 WeakPolarHBondContact CA-OG 3.45Å; G5-S9 VanDerWaalsContact O-CB 3.26Å; G5-S9 WeakPolarHBondContact O-CB 3.28Å; G5-S9 PolarHBondContact O-N 2.75Å; G5-S9 VanDerWaalsContact O-N 3.09Å; G5-S9 PolarHBondContact O-OG 2.96Å; G5-L21 WeakPolarHBondContact O-CD1 3.24Å; G5-D281 PolarHBondContact N-OD2 2.64Å
6V98.5Very high96.4Very high8 Ų820.8 Ų20.85%0.04814%0.138CC..THydrogen-bonded Turntrans-63.4-28-176.8172.70000112.8N18 V238 T266 D281V6-N18 WeakPolarHBondContact O-CB 3.43Å; V6-N18 PolarHBondContact O-ND2 2.87Å; V6-V238 HydrophobicContact CG1-CB 4.48Å; V6-V238 HydrophobicContact CG1-CG1 4.07Å; V6-V238 HydrophobicContact CG2-CG1 3.77Å; V6-T266 HydrophobicContact CG2-CG2 3.66Å; V6-D281 WeakPolarHBondContact CB-OD2 2.99Å; V6-D281 WeakPolarHBondContact CG2-OD2 3.43Å; V6-D281 PolarHBondContact N-OD2 3.41Å
7A98.3Very high96.5Very high5 Ų520.6 Ų20.64%0.04114%0.139CC..THydrogen-bonded Turntrans-116.1-14.6173.900000114.2G5 T234 S270G5-A7 PolarHBondContact O-N 3.23Å; A7-T234 HydrophobicContact CB-CG2 4.34Å; A7-S270 PolarHBondContact O-OG 2.91Å
8S97.5Very high96.6Very high26 Ų2619.5 Ų19.518%0.18213%0.131CC..THydrogen-bonded Turntrans-119.1-1.7-16958.10000115.5G5G5-S8 PolarHBondContact O-N 3.36Å
9S96.4Very high96.7Very high25 Ų2518.6 Ų18.618%0.17513%0.125CC..  trans-65.8137.6-179.8-76.60000112.2G5 A17G5-S9 VanDerWaalsContact CA-OG 3.24Å; G5-S9 WeakPolarHBondContact CA-OG 3.45Å; G5-S9 VanDerWaalsContact O-CB 3.26Å; G5-S9 WeakPolarHBondContact O-CB 3.28Å; G5-S9 PolarHBondContact O-N 2.75Å; G5-S9 VanDerWaalsContact O-N 3.09Å; G5-S9 PolarHBondContact O-OG 2.96Å; S9-A17 WeakPolarHBondContact OG-CB 3.36Å
10H94.2Very high96.8Very high77 Ų7717.7 Ų17.736%0.35612%0.119SC..  trans-60.2144.2168.6-174.4-94.4000111.1G12 V13 A14 Q362H10-G12 VanDerWaalsContact C-N 3.25Å; H10-G12 PolarHBondContact ND1-N 2.78Å; H10-G12 VanDerWaalsContact ND1-N 3.2Å; H10-G12 PolarHBondContact O-N 2.91Å; H10-G12 VanDerWaalsContact O-N 3.17Å; H10-V13 HydrophobicContact CB-CG2 4.41Å; H10-V13 WeakPolarHBondContact O-CG2 3.41Å; H10-V13 PolarHBondContact O-N 2.98Å; H10-A14 PolarHBondContact O-N 2.88Å; H10-Q362 PolarHBondContact CE1-NE2 3.08Å; H10-Q362 PolarHBondContact ND1-NE2 2.81Å
11Y95.6Very high96.8Very high2 Ų217 Ų171%0.00811%0.114CC..G310 helixtrans-55.5-39.3-174.581.9-87.3000112.5V13 A14 L22 D29 S32 A102 P104 T364Y11-V13 PolarHBondContact O-N 3.02Å; Y11-V13 VanDerWaalsContact O-N 3.1Å; Y11-A14 WeakPolarHBondContact O-CB 3.47Å; Y11-A14 PolarHBondContact O-N 2.86Å; Y11-L22 WeakPolarHBondContact O-CD2 3.46Å; Y11-D29 HydrophobicContact CE1-CB 4.11Å; Y11-D29 WeakPolarHBondContact CE1-OD2 3.4Å; Y11-D29 WeakPolarHBondContact OH-CB 3.38Å; Y11-S32 WeakPolarHBondContact OH-CB 3.36Å; Y11-A102 HydrophobicContact CD2-CB 4.25Å; Y11-A102 HydrophobicContact CE2-CB 4.24Å; Y11-P104 HydrophobicContact CD2-CG 4.08Å; Y11-P104 HydrophobicContact CE2-CG 3.52Å; Y11-T364 WeakPolarHBondContact OH-CG2 3.22Å
12G95.5Very high96.9Very high0 Ų015.1 Ų15.10%011%0.105CC..G310 helixtrans-62.5-18.2-179.200000115.2H10 V100H10-G12 VanDerWaalsContact C-N 3.25Å; H10-G12 PolarHBondContact ND1-N 2.78Å; H10-G12 VanDerWaalsContact ND1-N 3.2Å; H10-G12 PolarHBondContact O-N 2.91Å; H10-G12 VanDerWaalsContact O-N 3.17Å; G12-V100 WeakPolarHBondContact O-CB 3.36Å; G12-V100 VanDerWaalsContact O-CG1 3.29Å; G12-V100 WeakPolarHBondContact O-CG1 3.39Å
13V95.5Very high97Very high22 Ų2216.1 Ų16.113%0.13311%0.11CC..G310 helixtrans-121.5-2.7176.5-52.70000113.1H10 Y11 P15 L16 L34H10-V13 HydrophobicContact CB-CG2 4.41Å; H10-V13 WeakPolarHBondContact O-CG2 3.41Å; H10-V13 PolarHBondContact O-N 2.98Å; Y11-V13 PolarHBondContact O-N 3.02Å; Y11-V13 VanDerWaalsContact O-N 3.1Å; V13-P15 VanDerWaalsContact C-N 3.32Å; V13-L16 WeakPolarHBondContact O-CB 3.46Å; V13-L16 PolarHBondContact O-N 3.3Å; V13-L34 HydrophobicContact CB-CD2 4.5Å; V13-L34 HydrophobicContact CG1-CB 4.27Å; V13-L34 HydrophobicContact CG1-CD1 3.85Å; V13-L34 HydrophobicContact CG1-CD2 3.84Å; V13-L34 HydrophobicContact CG1-CG 4.2Å
14A97Very high97Very high0 Ų015.8 Ų15.80%09%0.089CC..G310 helixtrans-48.2-40.8-17800000114.7H10 Y11 L16 A17 N18 L21 L22H10-A14 PolarHBondContact O-N 2.88Å; Y11-A14 WeakPolarHBondContact O-CB 3.47Å; Y11-A14 PolarHBondContact O-N 2.86Å; A14-L16 PolarHBondContact O-N 3.06Å; A14-A17 CarbonylContact O-C 3.54Å; A14-A17 PolarHBondContact O-N 3.45Å; A14-N18 CarbonylContact C-O 3.56Å; A14-N18 CarbonylContact O-C 3.5Å; A14-N18 PolarHBondContact O-N 3.27Å; A14-N18 VanDerWaalsContact O-O 3.08Å; A14-L21 HydrophobicContact CB-CB 3.67Å; A14-L22 HydrophobicContact CB-CG 4.35Å
15P96.7Very high96.7Very high3 Ų316.7 Ų16.72%0.01910%0.096CC..G310 helixtrans-56.5-23.9178.6-27.937000114.8V13 L22 V100 A111 M113 A167V13-P15 VanDerWaalsContact C-N 3.32Å; P15-L22 HydrophobicContact CG-CD1 4.1Å; P15-L22 HydrophobicContact CG-CD2 3.8Å; P15-L22 HydrophobicContact CG-CG 4.05Å; P15-V100 HydrophobicContact CG-CG1 3.96Å; P15-A111 HydrophobicContact CG-CB 3.63Å; P15-M113 HydrophobicContact CB-CB 4.23Å; P15-M113 HydrophobicContact CB-SD 3.92Å; P15-A167 HydrophobicContact CB-CB 3.9Å; P15-A167 HydrophobicContact CG-CB 3.92Å
16L97Very high96.1Very high36 Ų3618.2 Ų18.219%0.18811%0.112CC..G310 helixtrans-79.3-18.9178.8-56.7177.8000113.3V13 A14 L34 S98 V100 K115V13-L16 WeakPolarHBondContact O-CB 3.46Å; V13-L16 PolarHBondContact O-N 3.3Å; A14-L16 PolarHBondContact O-N 3.06Å; L16-L34 HydrophobicContact CD1-CD2 3.81Å; L16-S98 WeakPolarHBondContact CD1-OG 3.39Å; L16-V100 HydrophobicContact CD1-CG2 3.99Å; L16-V100 HydrophobicContact CD2-CG2 4.03Å; L16-V100 HydrophobicContact CG-CG2 3.84Å; L16-K115 HydrophobicContact CD2-CB 4.14Å; L16-K115 HydrophobicContact CD2-CD 4.14Å; L16-K115 HydrophobicContact CD2-CG 4.41Å
17A97.3Very high95.4Very high19 Ų1923.5 Ų23.516%0.15716%0.156CC..THydrogen-bonded Turntrans-120.3-61.9-175.700000112.2S9 A14 V238S9-A17 WeakPolarHBondContact OG-CB 3.36Å; A14-A17 CarbonylContact O-C 3.54Å; A14-A17 PolarHBondContact O-N 3.45Å; A17-V238 WeakPolarHBondContact O-CG1 3.05Å; A17-V238 WeakPolarHBondContact O-CG2 3.45Å
18N98.6Very high94.7Very high0 Ų031.8 Ų31.80%019%0.192CC..  trans-146.4110.2176.6-179.2-3.7000109.9V6 A14 A20 L21 G224 A225 V238V6-N18 WeakPolarHBondContact O-CB 3.43Å; V6-N18 PolarHBondContact O-ND2 2.87Å; A14-N18 CarbonylContact C-O 3.56Å; A14-N18 CarbonylContact O-C 3.5Å; A14-N18 PolarHBondContact O-N 3.27Å; A14-N18 VanDerWaalsContact O-O 3.08Å; N18-A20 PolarHBondContact O-N 2.87Å; N18-A20 VanDerWaalsContact O-N 3.11Å; N18-A20 WeakPolarHBondContact OD1-CB 3.1Å; N18-A20 PolarHBondContact OD1-N 2.86Å; N18-A20 VanDerWaalsContact OD1-N 3.07Å; N18-L21 HydrophobicContact CB-CD1 4.17Å; N18-L21 HydrophobicContact CB-CG 4.2Å; N18-L21 PolarHBondContact O-N 3.29Å; N18-L21 VanDerWaalsContact O-N 3.1Å; N18-G224 WeakPolarHBondContact OD1-CA 3.23Å; N18-A225 PolarHBondContact ND2-O 2.99Å; N18-V238 HydrophobicContact CB-CB 4.27Å
19P98.5Very high94.4Very high3 Ų332 Ų322%0.01919%0.19CC..G310 helixtrans-62.6-20.9-17725.9-34.5000113.8L21 L22 A167 A169 T184P19-L21 PolarHBondContact O-N 2.96Å; P19-L22 VanDerWaalsContact O-CB 3.3Å; P19-L22 WeakPolarHBondContact O-CB 3.41Å; P19-L22 WeakPolarHBondContact O-CG 3.19Å; P19-L22 PolarHBondContact O-N 2.82Å; P19-L22 VanDerWaalsContact O-N 3.15Å; P19-A167 HydrophobicContact CB-CB 4.21Å; P19-A169 WeakPolarHBondContact O-CB 3.48Å; P19-T184 VanDerWaalsContact CB-OG1 3.32Å; P19-T184 WeakPolarHBondContact CB-OG1 3.39Å
20A98.4Very high94.3Very high0 Ų036.6 Ų36.60%021%0.213CC..G310 helixtrans-64.3-24.517700000113N18 L22 T23 S180N18-A20 PolarHBondContact O-N 2.87Å; N18-A20 VanDerWaalsContact O-N 3.11Å; N18-A20 WeakPolarHBondContact OD1-CB 3.1Å; N18-A20 PolarHBondContact OD1-N 2.86Å; N18-A20 VanDerWaalsContact OD1-N 3.07Å; A20-L22 PolarHBondContact O-N 2.97Å; A20-T23 PolarHBondContact O-N 2.92Å; A20-T23 PolarHBondContact O-OG1 2.83Å; A20-S180 WeakPolarHBondContact O-CB 3.17Å
21L97.9Very high94.4Very high2 Ų235.8 Ų35.81%0.0121%0.209CC..G310 helixtrans-74.4-3.7177.9-59.4177.3000113.1G5 A14 N18 P19 T23 K24 S226G5-L21 WeakPolarHBondContact O-CD1 3.24Å; A14-L21 HydrophobicContact CB-CB 3.67Å; N18-L21 HydrophobicContact CB-CD1 4.17Å; N18-L21 HydrophobicContact CB-CG 4.2Å; N18-L21 PolarHBondContact O-N 3.29Å; N18-L21 VanDerWaalsContact O-N 3.1Å; P19-L21 PolarHBondContact O-N 2.96Å; L21-T23 PolarHBondContact O-N 2.79Å; L21-K24 HydrophobicContact CB-CG 4.43Å; L21-K24 HydrophobicContact CD2-CG 4.08Å; L21-K24 WeakPolarHBondContact O-CB 3.44Å; L21-K24 PolarHBondContact O-N 2.7Å; L21-K24 VanDerWaalsContact O-N 3.09Å; L21-S226 WeakPolarHBondContact CD2-OG 3.23Å
22L97.4Very high94.5Very high1 Ų135.7 Ų35.71%0.00521%0.208CC..G310 helixtrans-59.1-24170.3-81.4173.7000113.2Y11 A14 P15 P19 A20 K24 A102 A109 A111 A167 A169Y11-L22 WeakPolarHBondContact O-CD2 3.46Å; A14-L22 HydrophobicContact CB-CG 4.35Å; P15-L22 HydrophobicContact CG-CD1 4.1Å; P15-L22 HydrophobicContact CG-CD2 3.8Å; P15-L22 HydrophobicContact CG-CG 4.05Å; P19-L22 VanDerWaalsContact O-CB 3.3Å; P19-L22 WeakPolarHBondContact O-CB 3.41Å; P19-L22 WeakPolarHBondContact O-CG 3.19Å; P19-L22 PolarHBondContact O-N 2.82Å; P19-L22 VanDerWaalsContact O-N 3.15Å; A20-L22 PolarHBondContact O-N 2.97Å; L22-K24 PolarHBondContact O-N 3.44Å; L22-A102 HydrophobicContact CD2-CB 4.1Å; L22-A109 HydrophobicContact CB-CB 3.92Å; L22-A109 WeakPolarHBondContact O-CB 3.49Å; L22-A111 HydrophobicContact CD1-CB 4.08Å; L22-A111 HydrophobicContact CD2-CB 3.76Å; L22-A167 HydrophobicContact CD1-CB 3.6Å; L22-A169 HydrophobicContact CB-CB 3.76Å; L22-A169 HydrophobicContact CD1-CB 4.32Å
23T96.5Very high94.6Very high23 Ų2338.2 Ų38.214%0.14122%0.221CC..G310 helixtrans-81.1-1.5178.575.30000113A20 L21 S25 A169 E171 S180A20-T23 PolarHBondContact O-N 2.92Å; A20-T23 PolarHBondContact O-OG1 2.83Å; L21-T23 PolarHBondContact O-N 2.79Å; T23-S25 VanDerWaalsContact C-N 3.3Å; T23-S25 PolarHBondContact O-N 2.85Å; T23-A169 HydrophobicContact CG2-CB 3.68Å; T23-E171 HydrophobicContact CG2-CB 4.36Å; T23-S180 WeakPolarHBondContact OG1-CB 3.29Å; T23-S180 PolarHBondContact OG1-OG 2.78Å
24K94Very high94.7Very high62 Ų6237.1 Ų37.127%0.2722%0.215SC..  trans-92.621.7-176.7-57.7-61.4-170.8-168.40113.2L21 L22 D228L21-K24 HydrophobicContact CB-CG 4.43Å; L21-K24 HydrophobicContact CD2-CG 4.08Å; L21-K24 WeakPolarHBondContact O-CB 3.44Å; L21-K24 PolarHBondContact O-N 2.7Å; L21-K24 VanDerWaalsContact O-N 3.09Å; L22-K24 PolarHBondContact O-N 3.44Å; K24-D228 WeakPolarHBondContact CE-OD1 3.26Å; K24-D228 IonicContact NZ-OD1 2.62Å; K24-D228 PolarHBondContact NZ-OD1 3.36Å; K24-D228 IonicContact NZ-OD2 3.52Å; K24-D228 PolarHBondContact NZ-OD2 2.85Å
25S91.9Very high94.5Very high34 Ų3441.5 Ų41.524%0.23824%0.238CC..  trans-66.9149.817452.40000111.5T23 P104T23-S25 VanDerWaalsContact C-N 3.3Å; T23-S25 PolarHBondContact O-N 2.85Å; S25-P104 WeakPolarHBondContact OG-CB 3.35Å
26G85.8Confident94.4Very high35 Ų3544.2 Ų44.236%0.36126%0.256SS..  trans-68.3157.7171.700000112.1K28 D29G26-K28 PolarHBondContact O-N 3.47Å; G26-D29 WeakPolarHBondContact CA-OD2 3.16Å; G26-D29 PolarHBondContact N-OD2 3.2Å; G26-D29 WeakPolarHBondContact O-CB 3.15Å; G26-D29 PolarHBondContact O-N 3.49Å; G26-D29 VanDerWaalsContact O-N 3.08Å
27A83Confident94.4Very high118 Ų11842.9 Ų42.998%0.97525%0.249SC*.THydrogen-bonded Turntrans-65.9-6.3-179.400000115
28K85Confident94.4Very high180 Ų18045.5 Ų45.578%0.78326%0.263SS*.THydrogen-bonded Turntrans-114.3-0.9178.1-63.9-176.3179.7179.70112.7G26 D30G26-K28 PolarHBondContact O-N 3.47Å; K28-D30 PolarHBondContact O-N 2.85Å
29D90.9Very high94.4Very high29 Ų2946.3 Ų46.316%0.15527%0.271CS..  trans-85.9114-175.3-64.8-11.1000108.1Y11 G26 P104Y11-D29 HydrophobicContact CE1-CB 4.11Å; Y11-D29 WeakPolarHBondContact CE1-OD2 3.4Å; Y11-D29 WeakPolarHBondContact OH-CB 3.38Å; G26-D29 WeakPolarHBondContact CA-OD2 3.16Å; G26-D29 PolarHBondContact N-OD2 3.2Å; G26-D29 WeakPolarHBondContact O-CB 3.15Å; G26-D29 PolarHBondContact O-N 3.49Å; G26-D29 VanDerWaalsContact O-N 3.08Å; D29-P104 HydrophobicContact CB-CG 4.18Å; D29-P104 VanDerWaalsContact O-CB 3.24Å; D29-P104 WeakPolarHBondContact O-CB 3.42Å; D29-P104 VanDerWaalsContact O-CG 3.28Å; D29-P104 WeakPolarHBondContact O-CG 3.47Å
30D93.5Very high94.4Very high123 Ų12349 Ų4966%0.65829%0.294SS*.  trans-99.1-27.6-179.7-70.8-29.1000111.2K28 F365K28-D30 PolarHBondContact O-N 2.85Å; D30-F365 PolarHBondContact N-O 3.22Å
31F96.3Very high94.2Very high60 Ų6050.6 Ų50.626%0.26330%0.301SS..  trans-160.7146.6-178-179-114.1000112.5L33 A101 A102 L103 T364 F365F31-L33 HydrophobicContact CE1-CB 3.77Å; F31-L33 HydrophobicContact CZ-CB 4.13Å; F31-A101 HydrophobicContact CE2-CB 4Å; F31-A101 HydrophobicContact CZ-CB 3.97Å; F31-A102 WeakPolarHBondContact CA-O 3.41Å; F31-A102 WeakPolarHBondContact CD2-O 3.06Å; F31-L103 HydrophobicContact CD2-CD2 3.63Å; F31-L103 HydrophobicContact CD2-CG 4.15Å; F31-L103 HydrophobicContact CE2-CD2 4.28Å; F31-L103 HydrophobicContact CE2-CG 4.48Å; F31-T364 WeakPolarHBondContact O-CA 3.25Å; F31-F365 HydrophobicContact CB-CB 4.4Å; F31-F365 HydrophobicContact CB-CD2 4.5Å; F31-F365 AromaticContact CD1-CD2 3.65Å; F31-F365 HydrophobicContact CD1-CD2 3.65Å; F31-F365 HydrophobicContact CD1-CE2 4.03Å; F31-F365 HydrophobicContact CE1-CD2 4.46Å; F31-F365 HydrophobicContact CE1-CE2 4.41Å; F31-F365 PolarHBondContact N-O 3.49Å; F31-F365 PolarHBondContact O-N 2.89Å
32S97.2Very high94.1Very high0 Ų055 Ų550%032%0.324CS..EExtended strand (participates in β ladder)trans-131.2142.4166.7-171.40000112.9Y11 A101 A102 Q362 F363Y11-S32 WeakPolarHBondContact OH-CB 3.36Å; S32-A101 CarbonylContact O-C 3.52Å; S32-A101 WeakPolarHBondContact O-CA 3.33Å; S32-A102 PolarHBondContact N-O 2.82Å; S32-A102 PolarHBondContact O-N 2.8Å; S32-Q362 WeakPolarHBondContact OG-CG 3.49Å; S32-Q362 PolarHBondContact OG-NE2 2.84Å; S32-F363 CarbonylContact C-O 3.57Å; S32-F363 WeakPolarHBondContact CA-O 3.23Å; S32-F363 PolarHBondContact OG-O 3.19Å
33L98Very high93.8Very high52 Ų5255.7 Ų55.727%0.27233%0.329SS..EExtended strand (participates in β ladder)trans-129.3108.1175.9-178.465.3000110.8F31 L35 V100 A101 Q362 F363F31-L33 HydrophobicContact CE1-CB 3.77Å; F31-L33 HydrophobicContact CZ-CB 4.13Å; L33-L35 HydrophobicContact CD1-CB 4.37Å; L33-L35 HydrophobicContact CG-CB 4.23Å; L33-V100 CarbonylContact C-O 3.55Å; L33-V100 WeakPolarHBondContact CA-O 3.32Å; L33-A101 HydrophobicContact CD1-CB 4.09Å; L33-Q362 CarbonylContact O-C 3.53Å; L33-Q362 VanDerWaalsContact O-CA 3.3Å; L33-Q362 WeakPolarHBondContact O-CA 3.48Å; L33-F363 PolarHBondContact N-O 3.1Å; L33-F363 PolarHBondContact O-N 3.07Å
34L97.6Very high93.5Very high0 Ų055.5 Ų55.50%033%0.327CS..EExtended strand (participates in β ladder)trans-85.4111164.1179.677.1000108.7V13 L16 A99 V100 Q360 Q362V13-L34 HydrophobicContact CB-CD2 4.5Å; V13-L34 HydrophobicContact CG1-CB 4.27Å; V13-L34 HydrophobicContact CG1-CD1 3.85Å; V13-L34 HydrophobicContact CG1-CD2 3.84Å; V13-L34 HydrophobicContact CG1-CG 4.2Å; L16-L34 HydrophobicContact CD1-CD2 3.81Å; L34-A99 CarbonylContact O-C 3.59Å; L34-A99 WeakPolarHBondContact O-CA 3.46Å; L34-V100 HydrophobicContact CB-CB 4.07Å; L34-V100 HydrophobicContact CD2-CB 4.41Å; L34-V100 HydrophobicContact CD2-CG2 4.04Å; L34-V100 PolarHBondContact N-O 2.91Å; L34-V100 PolarHBondContact O-N 2.83Å; L34-Q360 HydrophobicContact CD1-CB 3.99Å; L34-Q362 HydrophobicContact CD1-CB 4.03Å
35L93.6Very high93.1Very high92 Ų9254.8 Ų54.848%0.48233%0.329SS..EExtended strand (participates in β ladder)trans-162.1121.4173.7-175.167.3000112.8L33 A99 L361L33-L35 HydrophobicContact CD1-CB 4.37Å; L33-L35 HydrophobicContact CG-CB 4.23Å; L35-A99 HydrophobicContact CD1-CB 3.51Å; L35-L361 PolarHBondContact N-O 3.42Å
36P93.9Very high92.6Very high60 Ų6054.3 Ų54.339%0.3933%0.329SS..EExtended strand (participates in β ladder)cis-86.1160.5-18.236.9-33.5000111.4V38 L361P36-V38 HydrophobicContact CB-CG2 3.97Å; P36-V38 HydrophobicContact CG-CG2 4.24Å; P36-L361 PolarHBondContact O-N 3.09Å; P36-L361 VanDerWaalsContact O-N 3.09Å
37S97.2Very high92.4Very high8 Ų855.4 Ų55.46%0.05633%0.327CS..EExtended strand (participates in β ladder)trans-109.1125.9153.41690000108.2V97 S98 A359S37-V97 CarbonylContact O-C 3.51Å; S37-V97 WeakPolarHBondContact O-CA 3.39Å; S37-S98 WeakPolarHBondContact CB-OG 3.44Å; S37-S98 PolarHBondContact N-O 3.47Å; S37-S98 PolarHBondContact O-N 2.87Å; S37-A359 WeakPolarHBondContact CA-O 3.42Å
38V98.2Very high92.3Very high73 Ų7350.5 Ų50.544%0.44228%0.284SS..EExtended strand (participates in β ladder)trans-132.2132.4-177.2-174.10000109P36 G96 V97 I358 A359P36-V38 HydrophobicContact CB-CG2 3.97Å; P36-V38 HydrophobicContact CG-CG2 4.24Å; V38-G96 CarbonylContact C-O 3.57Å; V38-G96 WeakPolarHBondContact CA-O 3.43Å; V38-V97 HydrophobicContact CG2-CG2 4.09Å; V38-I358 CarbonylContact O-C 3.56Å; V38-I358 WeakPolarHBondContact O-CA 3.3Å; V38-I358 WeakPolarHBondContact O-CG1 3.43Å; V38-A359 PolarHBondContact N-O 2.98Å; V38-A359 PolarHBondContact O-N 3.43Å
39G97.9Very high91.8Very high17 Ų1744.6 Ų44.618%0.17527%0.269CS..EExtended strand (participates in β ladder)trans-143.1156.2174.300000112.6A95 G96 A357G39-A95 CarbonylContact O-C 3.57Å; G39-A95 WeakPolarHBondContact O-CA 3.21Å; G39-G96 PolarHBondContact N-O 2.78Å; G39-G96 PolarHBondContact O-N 2.93Å; G39-A357 CarbonylContact C-O 3.58Å; G39-A357 WeakPolarHBondContact CA-O 3.49Å
40A97.7Very high91.3Very high59 Ų5946.9 Ų46.949%0.48828%0.281SS..EExtended strand (participates in β ladder)trans-143.4150.4173.800000110.7Q94 A95 G356 A357A40-Q94 CarbonylContact C-O 3.49Å; A40-Q94 VanDerWaalsContact CA-O 3.23Å; A40-Q94 WeakPolarHBondContact CA-O 3.37Å; A40-A95 HydrophobicContact CB-CB 4.49Å; A40-G356 CarbonylContact O-C 3.59Å; A40-G356 WeakPolarHBondContact O-CA 3.4Å; A40-A357 PolarHBondContact N-O 3.31Å; A40-A357 PolarHBondContact O-N 3.27Å
41Q95.6Very high90.6Very high35 Ų3542 Ų4216%0.16426%0.255CS..EExtended strand (participates in β ladder)trans-141.6138.3177-179-178-14.400109.1A93 Q94 L348 N354 Y355Q41-A93 CarbonylContact O-C 3.57Å; Q41-A93 VanDerWaalsContact O-CA 3.25Å; Q41-A93 WeakPolarHBondContact O-CA 3.37Å; Q41-Q94 PolarHBondContact N-O 3.03Å; Q41-Q94 PolarHBondContact O-N 3.21Å; Q41-L348 HydrophobicContact CB-CD2 4.46Å; Q41-L348 HydrophobicContact CG-CD1 4.19Å; Q41-L348 HydrophobicContact CG-CD2 4.22Å; Q41-N354 PolarHBondContact NE2-ND2 2.8Å; Q41-N354 PolarHBondContact NE2-OD1 3.16Å; Q41-Y355 CarbonylContact C-O 3.59Å; Q41-Y355 VanDerWaalsContact CA-O 3.26Å; Q41-Y355 WeakPolarHBondContact CA-O 3.34Å; Q41-Y355 WeakPolarHBondContact CG-O 3.45Å
42L94.1Very high89.8Confident93 Ų9340.2 Ų40.249%0.48725%0.252SS..EExtended strand (participates in β ladder)trans-124.2137.3173.8177.367.9000108.6A93 N354 Y355L42-A93 HydrophobicContact CD1-CB 4.04Å; L42-N354 CarbonylContact O-C 3.52Å; L42-N354 WeakPolarHBondContact O-CA 3.25Å; L42-N354 PolarHBondContact O-OD1 3.36Å; L42-Y355 PolarHBondContact N-O 3.06Å; L42-Y355 PolarHBondContact O-N 3.43Å
43S92.2Very high89Confident16 Ų1644.9 Ų44.911%0.11228%0.277CS..EExtended strand (participates in β ladder)trans-132.8114.9172.5-179.80000108.5A91 S92S43-A91 CarbonylContact O-C 3.56Å; S43-A91 WeakPolarHBondContact O-CA 3.27Å; S43-S92 PolarHBondContact N-O 3.44Å; S43-S92 PolarHBondContact O-N 3.09Å
44D90.4Very high88.4Confident20 Ų2046.7 Ų46.711%0.10728%0.282CS..  trans-132.266.8178.8-169.57.8000111.6G46 N47 I48 A49 A91 N353D44-G46 PolarHBondContact O-N 3.2Å; D44-N47 VanDerWaalsContact CG-CA 3.48Å; D44-N47 PolarHBondContact O-N 3.17Å; D44-N47 VanDerWaalsContact OD1-CA 3.28Å; D44-N47 WeakPolarHBondContact OD1-CA 3.29Å; D44-N47 PolarHBondContact OD1-N 3.09Å; D44-N47 WeakPolarHBondContact OD2-CA 3.43Å; D44-I48 VanDerWaalsContact CG-N 3.3Å; D44-I48 PolarHBondContact OD1-N 2.91Å; D44-I48 PolarHBondContact OD2-N 2.81Å; D44-A49 PolarHBondContact OD2-N 3.4Å; D44-A91 HydrophobicContact CB-CB 4.3Å; D44-N353 PolarHBondContact N-O 2.9Å; D44-N353 VanDerWaalsContact N-O 3.16Å; D44-N353 WeakPolarHBondContact O-CB 3.16Å; D44-N353 PolarHBondContact O-ND2 3.19Å; D44-N353 VanDerWaalsContact O-ND2 3.07Å
45P85.8Confident87.9Confident46 Ų4646.9 Ų46.930%0.29928%0.283SS..THydrogen-bonded Turntrans-62.9-29.5-177.427.8-37.3000112.6H90 D352P45-H90 WeakPolarHBondContact CD-O 3.41Å; P45-H90 WeakPolarHBondContact CG-O 3.41Å; P45-D352 VanDerWaalsContact CA-O 3.31Å; P45-D352 WeakPolarHBondContact CA-O 3.3Å; P45-D352 HydrophobicContact CB-CB 3.62Å
46G81.4Confident87.5Confident24 Ų2443.6 Ų43.625%0.24727%0.268CS..THydrogen-bonded Turntrans-91.2-1.418000000114.4D44 I48 N51D44-G46 PolarHBondContact O-N 3.2Å; G46-I48 VanDerWaalsContact C-N 3.34Å; G46-I48 PolarHBondContact O-N 2.84Å; G46-N51 PolarHBondContact O-ND2 3.15Å
47N81.3Confident87.3Confident58 Ų5845.2 Ų45.231%0.3127%0.273SS..  trans50.851.5-174.8-159.50.6000112.4D44 A49 D50 N51D44-N47 VanDerWaalsContact CG-CA 3.48Å; D44-N47 PolarHBondContact O-N 3.17Å; D44-N47 VanDerWaalsContact OD1-CA 3.28Å; D44-N47 WeakPolarHBondContact OD1-CA 3.29Å; D44-N47 PolarHBondContact OD1-N 3.09Å; D44-N47 WeakPolarHBondContact OD2-CA 3.43Å; N47-A49 PolarHBondContact O-N 3.15Å; N47-D50 PolarHBondContact ND2-OD2 3.38Å; N47-D50 PolarHBondContact O-N 2.86Å; N47-D50 WeakPolarHBondContact OD1-CB 3.32Å; N47-D50 VanDerWaalsContact OD1-CG 3.23Å; N47-D50 PolarHBondContact OD1-OD2 2.77Å; N47-N51 WeakPolarHBondContact O-CB 3.49Å; N47-N51 PolarHBondContact O-N 3.33Å; N47-N51 PolarHBondContact O-ND2 2.77Å
48I80.1Confident87.1Confident15 Ų1546.2 Ų46.28%0.07728%0.278CS..Hα-helixtrans-58.7-36.8-177.2-83.9162.7000111.5D44 G46 N51 A52 F86 T89 A91 V122D44-I48 VanDerWaalsContact CG-N 3.3Å; D44-I48 PolarHBondContact OD1-N 2.91Å; D44-I48 PolarHBondContact OD2-N 2.81Å; G46-I48 VanDerWaalsContact C-N 3.34Å; G46-I48 PolarHBondContact O-N 2.84Å; I48-N51 PolarHBondContact O-N 2.89Å; I48-A52 VanDerWaalsContact O-CB 3.26Å; I48-A52 WeakPolarHBondContact O-CB 3.3Å; I48-A52 PolarHBondContact O-N 2.86Å; I48-F86 HydrophobicContact CG1-CE2 4.33Å; I48-F86 HydrophobicContact CG2-CE2 4.38Å; I48-T89 HydrophobicContact CG1-CG2 4.49Å; I48-T89 WeakPolarHBondContact CG1-OG1 3.42Å; I48-A91 HydrophobicContact CB-CB 4.09Å; I48-A91 HydrophobicContact CD1-CB 3.49Å; I48-A91 VanDerWaalsContact CD1-CB 3.49Å; I48-A91 HydrophobicContact CG1-CB 4.3Å; I48-V122 HydrophobicContact CG2-CG1 4.21Å
49A75.6Confident86.7Confident57 Ų5744.3 Ų44.347%0.47126%0.263SS..Hα-helixtrans-57.5-52.8178.500000111D44 N47 N51 A52 D53D44-A49 PolarHBondContact OD2-N 3.4Å; N47-A49 PolarHBondContact O-N 3.15Å; A49-N51 VanDerWaalsContact C-N 3.32Å; A49-N51 PolarHBondContact O-N 3.21Å; A49-A52 PolarHBondContact O-N 2.99Å; A49-D53 PolarHBondContact O-N 3.08Å
50D79.2Confident86.4Confident77 Ų7748.6 Ų48.641%0.41228%0.277SS..Hα-helixtrans-66.7-34.2178.4-71.2-4.9000112.3N47 K54N47-D50 PolarHBondContact ND2-OD2 3.38Å; N47-D50 PolarHBondContact O-N 2.86Å; N47-D50 WeakPolarHBondContact OD1-CB 3.32Å; N47-D50 VanDerWaalsContact OD1-CG 3.23Å; N47-D50 PolarHBondContact OD1-OD2 2.77Å; D50-K54 WeakPolarHBondContact O-CD 3.48Å; D50-K54 VanDerWaalsContact O-CG 3.24Å; D50-K54 WeakPolarHBondContact O-CG 3.17Å; D50-K54 PolarHBondContact O-N 3.18Å
51N79.3Confident86.2Confident19 Ų1947.1 Ų47.110%0.10227%0.265CS..Hα-helixtrans-71.9-37.1178.7-76.8-26.1000112.4G46 N47 I48 A49 K54 I55 F86G46-N51 PolarHBondContact O-ND2 3.15Å; N47-N51 WeakPolarHBondContact O-CB 3.49Å; N47-N51 PolarHBondContact O-N 3.33Å; N47-N51 PolarHBondContact O-ND2 2.77Å; I48-N51 PolarHBondContact O-N 2.89Å; A49-N51 VanDerWaalsContact C-N 3.32Å; A49-N51 PolarHBondContact O-N 3.21Å; N51-K54 PolarHBondContact O-N 2.99Å; N51-I55 WeakPolarHBondContact O-CB 3.41Å; N51-I55 WeakPolarHBondContact O-CD1 3.4Å; N51-I55 WeakPolarHBondContact O-CG1 3.44Å; N51-I55 PolarHBondContact O-N 3.41Å; N51-F86 HydrophobicContact CB-CD2 4.47Å
52A78.7Confident86.2Confident24 Ų2445.5 Ų45.520%0.19826%0.257CS..Hα-helixtrans-63.6-43.3177.400000111.6I48 A49 I55 S56I48-A52 VanDerWaalsContact O-CB 3.26Å; I48-A52 WeakPolarHBondContact O-CB 3.3Å; I48-A52 PolarHBondContact O-N 2.86Å; A49-A52 PolarHBondContact O-N 2.99Å; A52-I55 PolarHBondContact O-N 3.22Å; A52-S56 PolarHBondContact O-N 2.82Å
53D80.5Confident86.1Confident98 Ų9843.1 Ų43.152%0.52425%0.245SC..Hα-helixtrans-62.2-45.5176.2-76.1-15.7000111.3A49 I55 S56 D57A49-D53 PolarHBondContact O-N 3.08Å; D53-I55 PolarHBondContact O-N 3.01Å; D53-S56 WeakPolarHBondContact O-CB 3.23Å; D53-S56 PolarHBondContact O-N 2.81Å; D53-D57 PolarHBondContact O-N 2.83Å
54K86.5Confident86.2Confident89 Ų8950.4 Ų50.439%0.38727%0.27SS..Hα-helixtrans-62.7-41.7176-68.8168.6-168.81640112.7D50 N51 S56 D57 D58 R82D50-K54 WeakPolarHBondContact O-CD 3.48Å; D50-K54 VanDerWaalsContact O-CG 3.24Å; D50-K54 WeakPolarHBondContact O-CG 3.17Å; D50-K54 PolarHBondContact O-N 3.18Å; N51-K54 PolarHBondContact O-N 2.99Å; K54-S56 VanDerWaalsContact C-N 3.33Å; K54-S56 PolarHBondContact O-N 2.88Å; K54-D57 PolarHBondContact O-N 2.82Å; K54-D58 WeakPolarHBondContact O-CB 3.47Å; K54-D58 PolarHBondContact O-N 2.97Å; K54-R82 HydrophobicContact CB-CG 4.43Å
55I86.6Confident86.4Confident4 Ų449.8 Ų49.82%0.02127%0.268CS..Hα-helixtrans-60.4-44.7174.4-68.6161.9000110.6N51 A52 D53 D57 D58 W59 R82 L83 F86 I199N51-I55 WeakPolarHBondContact O-CB 3.41Å; N51-I55 WeakPolarHBondContact O-CD1 3.4Å; N51-I55 WeakPolarHBondContact O-CG1 3.44Å; N51-I55 PolarHBondContact O-N 3.41Å; A52-I55 PolarHBondContact O-N 3.22Å; D53-I55 PolarHBondContact O-N 3.01Å; I55-D57 VanDerWaalsContact C-N 3.31Å; I55-D57 PolarHBondContact O-N 2.85Å; I55-D58 PolarHBondContact O-N 2.78Å; I55-W59 VanDerWaalsContact O-CB 3.25Å; I55-W59 WeakPolarHBondContact O-CB 3.28Å; I55-W59 PolarHBondContact O-N 2.88Å; I55-R82 HydrophobicContact CB-CG 4.17Å; I55-R82 HydrophobicContact CG1-CG 3.42Å; I55-R82 VanDerWaalsContact CG1-CG 3.42Å; I55-L83 HydrophobicContact CG2-CD2 4.27Å; I55-F86 HydrophobicContact CD1-CB 3.46Å; I55-F86 VanDerWaalsContact CD1-CB 3.46Å; I55-F86 HydrophobicContact CD1-CD1 3.66Å; I55-F86 HydrophobicContact CD1-CD2 3.48Å; I55-F86 VanDerWaalsContact CD1-CD2 3.48Å; I55-F86 HydrophobicContact CD1-CE1 4.2Å; I55-F86 HydrophobicContact CD1-CE2 4.08Å; I55-F86 HydrophobicContact CD1-CG 3.24Å; I55-F86 HydrophobicContact CD1-CZ 4.4Å; I55-F86 HydrophobicContact CG1-CB 4.41Å; I55-I199 HydrophobicContact CG2-CG2 3.16Å
56S84.5Confident86.7Confident23 Ų2348.2 Ų48.216%0.16126%0.257CS..Hα-helixtrans-58.8-44.5176.9145.10000111.1A52 D53 K54 W59 K60A52-S56 PolarHBondContact O-N 2.82Å; D53-S56 WeakPolarHBondContact O-CB 3.23Å; D53-S56 PolarHBondContact O-N 2.81Å; K54-S56 VanDerWaalsContact C-N 3.33Å; K54-S56 PolarHBondContact O-N 2.88Å; S56-W59 PolarHBondContact O-N 3.11Å; S56-K60 VanDerWaalsContact O-CG 3.28Å; S56-K60 WeakPolarHBondContact O-CG 3.23Å; S56-K60 PolarHBondContact O-N 2.94Å; S56-K60 PolarHBondContact OG-NZ 3.11Å; S56-K60 VanDerWaalsContact OG-NZ 3.13Å
57D89.9Confident87.3Confident94 Ų9451.9 Ų51.950%0.50327%0.271SS..Hα-helixtrans-70.5-41.7-179-73-10.4000112.5D53 K54 I55 W59 K60 A61D53-D57 PolarHBondContact O-N 2.83Å; K54-D57 PolarHBondContact O-N 2.82Å; I55-D57 VanDerWaalsContact C-N 3.31Å; I55-D57 PolarHBondContact O-N 2.85Å; D57-W59 VanDerWaalsContact C-N 3.35Å; D57-K60 PolarHBondContact O-N 3.15Å; D57-K60 IonicContact OD1-NZ 3.58Å; D57-A61 WeakPolarHBondContact O-CB 3.16Å; D57-A61 PolarHBondContact O-N 3.07Å
58D92.8Very high87.9Confident29 Ų2952.7 Ų52.716%0.15528%0.281CS..Hα-helixtrans-66-37.3175.1-73.9-31.5000111.2K54 I55 A61 F62 L79 R82K54-D58 WeakPolarHBondContact O-CB 3.47Å; K54-D58 PolarHBondContact O-N 2.97Å; I55-D58 PolarHBondContact O-N 2.78Å; D58-A61 PolarHBondContact O-N 3.26Å; D58-F62 WeakPolarHBondContact O-CB 3.19Å; D58-F62 PolarHBondContact O-N 3.09Å; D58-L79 HydrophobicContact CB-CD1 4.2Å; D58-R82 WeakPolarHBondContact OD2-CB 3.4Å; D58-R82 WeakPolarHBondContact OD2-CG 3.36Å; D58-R82 IonicContact OD2-NE 3.47Å; D58-R82 PolarHBondContact OD2-NE 2.86Å
59W91.1Very high88.4Confident34 Ų3457.6 Ų57.613%0.12930%0.304CS..Hα-helixtrans-63-48.8171.4171.7-106.1000111.6I55 S56 D57 A61 F62 D63 L79 K147 L150 K200I55-W59 VanDerWaalsContact O-CB 3.25Å; I55-W59 WeakPolarHBondContact O-CB 3.28Å; I55-W59 PolarHBondContact O-N 2.88Å; S56-W59 PolarHBondContact O-N 3.11Å; D57-W59 VanDerWaalsContact C-N 3.35Å; W59-A61 PolarHBondContact O-N 3.1Å; W59-F62 HydrophobicContact CE3-CD1 4.03Å; W59-F62 AromaticContact CZ3-CD1 3.82Å; W59-F62 HydrophobicContact CZ3-CD1 3.82Å; W59-F62 HydrophobicContact CZ3-CE1 4.11Å; W59-F62 PolarHBondContact O-N 2.96Å; W59-D63 VanDerWaalsContact O-CB 3.26Å; W59-D63 WeakPolarHBondContact O-CB 3.22Å; W59-D63 PolarHBondContact O-N 2.94Å; W59-L79 HydrophobicContact CB-CD1 4.44Å; W59-L79 HydrophobicContact CE3-CD2 3.84Å; W59-L79 HydrophobicContact CZ3-CD2 4.45Å; W59-K147 HydrophobicContact CH2-CB 4.02Å; W59-L150 HydrophobicContact CE3-CD1 4.1Å; W59-L150 HydrophobicContact CH2-CD1 4.46Å; W59-L150 HydrophobicContact CZ3-CD1 3.49Å; W59-L150 VanDerWaalsContact CZ3-CD1 3.49Å; W59-L150 HydrophobicContact CZ3-CG 4.39Å; W59-K200 HydrophobicContact CD2-CB 4.11Å; W59-K200 VanDerWaalsContact CE2-CB 3.43Å; W59-K200 HydrophobicContact CH2-CB 3.98Å; W59-K200 HydrophobicContact CH2-CD 4.36Å; W59-K200 HydrophobicContact CZ2-CB 3.36Å; W59-K200 HydrophobicContact CZ2-CD 4.16Å; W59-K200 HydrophobicContact CZ2-CG 4.4Å
60K91.4Very high89.3Confident106 Ų10658.8 Ų58.846%0.46131%0.308SS..Hα-helixtrans-62.3-31.2176.4-72.4168.1-170.1160.90112.4S56 D57 R64S56-K60 VanDerWaalsContact O-CG 3.28Å; S56-K60 WeakPolarHBondContact O-CG 3.23Å; S56-K60 PolarHBondContact O-N 2.94Å; S56-K60 PolarHBondContact OG-NZ 3.11Å; S56-K60 VanDerWaalsContact OG-NZ 3.13Å; D57-K60 PolarHBondContact O-N 3.15Å; D57-K60 IonicContact OD1-NZ 3.58Å; K60-R64 WeakPolarHBondContact O-CB 3.39Å; K60-R64 VanDerWaalsContact O-CG 3.29Å; K60-R64 WeakPolarHBondContact O-CG 3.27Å; K60-R64 PolarHBondContact O-N 2.86Å; K60-R64 PolarHBondContact O-NE 3.26Å; K60-R64 VanDerWaalsContact O-NE 3.13Å
61A93.7Very high90Very high29 Ų2956.4 Ų56.424%0.2430%0.302CS..Hα-helixtrans-70.1-46174.100000111.2D57 D58 W59 A65 T75D57-A61 WeakPolarHBondContact O-CB 3.16Å; D57-A61 PolarHBondContact O-N 3.07Å; D58-A61 PolarHBondContact O-N 3.26Å; W59-A61 PolarHBondContact O-N 3.1Å; A61-A65 WeakPolarHBondContact O-CB 3.47Å; A61-A65 PolarHBondContact O-N 2.57Å; A61-T75 HydrophobicContact CB-CG2 4.12Å
62F94.4Very high90.8Very high0 Ų055.5 Ų55.50%030%0.297CS..Hα-helixtrans-61.3-47.1174.7177.6-110.5000111.9D58 W59 R64 A65 V66 V72 A76 L79 L134 I137 V145 K147 L150D58-F62 WeakPolarHBondContact O-CB 3.19Å; D58-F62 PolarHBondContact O-N 3.09Å; W59-F62 HydrophobicContact CE3-CD1 4.03Å; W59-F62 AromaticContact CZ3-CD1 3.82Å; W59-F62 HydrophobicContact CZ3-CD1 3.82Å; W59-F62 HydrophobicContact CZ3-CE1 4.11Å; W59-F62 PolarHBondContact O-N 2.96Å; F62-R64 PolarHBondContact O-N 3.02Å; F62-A65 WeakPolarHBondContact O-CB 3.4Å; F62-A65 PolarHBondContact O-N 2.85Å; F62-V66 HydrophobicContact CD1-CG2 4.43Å; F62-V66 HydrophobicContact CD2-CG2 4.19Å; F62-V66 HydrophobicContact CE1-CG2 4.08Å; F62-V66 HydrophobicContact CE2-CG2 3.81Å; F62-V66 HydrophobicContact CG-CG2 4.49Å; F62-V66 HydrophobicContact CZ-CG2 3.75Å; F62-V66 WeakPolarHBondContact O-CG2 3.22Å; F62-V66 PolarHBondContact O-N 3.36Å; F62-V72 HydrophobicContact CE2-CG1 3.97Å; F62-A76 HydrophobicContact CD2-CB 4.08Å; F62-A76 HydrophobicContact CE2-CB 3.8Å; F62-L79 HydrophobicContact CB-CD2 4.2Å; F62-L79 HydrophobicContact CD1-CD2 4Å; F62-L79 HydrophobicContact CG-CD2 4.16Å; F62-L134 HydrophobicContact CE2-CD2 4.48Å; F62-L134 HydrophobicContact CZ-CD2 4.27Å; F62-I137 HydrophobicContact CE2-CD1 4.36Å; F62-I137 HydrophobicContact CZ-CD1 4.03Å; F62-V145 HydrophobicContact CE2-CG2 4.34Å; F62-V145 HydrophobicContact CZ-CG2 3.95Å; F62-K147 HydrophobicContact CE1-CB 3.96Å; F62-L150 HydrophobicContact CE1-CD1 4.47Å
63D92.4Very high91.6Very high44 Ų4455.1 Ų55.124%0.23529%0.293CS..Hα-helixtrans-55.9-48.5178.1-170.560.5000112W59 A65 V66 D67 K147W59-D63 VanDerWaalsContact O-CB 3.26Å; W59-D63 WeakPolarHBondContact O-CB 3.22Å; W59-D63 PolarHBondContact O-N 2.94Å; D63-A65 PolarHBondContact O-N 2.91Å; D63-V66 PolarHBondContact O-N 3.08Å; D63-D67 PolarHBondContact O-N 2.95Å; D63-K147 WeakPolarHBondContact OD1-CD 3.42Å; D63-K147 WeakPolarHBondContact OD1-CE 3.33Å; D63-K147 IonicContact OD1-NZ 2.81Å; D63-K147 PolarHBondContact OD1-NZ 2.84Å
64R94.1Very high92.3Very high169 Ų16956 Ų5664%0.63829%0.294SS*.Hα-helixtrans-65.2-37.1174.4-73.3-176.5-66.5178.60.7113K60 F62 S68K60-R64 WeakPolarHBondContact O-CB 3.39Å; K60-R64 VanDerWaalsContact O-CG 3.29Å; K60-R64 WeakPolarHBondContact O-CG 3.27Å; K60-R64 PolarHBondContact O-N 2.86Å; K60-R64 PolarHBondContact O-NE 3.26Å; K60-R64 VanDerWaalsContact O-NE 3.13Å; F62-R64 PolarHBondContact O-N 3.02Å; R64-S68 VanDerWaalsContact O-CB 3.24Å; R64-S68 WeakPolarHBondContact O-CB 3.36Å; R64-S68 PolarHBondContact O-N 2.76Å; R64-S68 PolarHBondContact O-OG 2.9Å
65A94.7Very high92.7Very high7 Ų752.7 Ų52.76%0.05828%0.281CS..Hα-helixtrans-64.4-42.5177.700000111.3A61 F62 D63 S68 H69 S70 V72 T75A61-A65 WeakPolarHBondContact O-CB 3.47Å; A61-A65 PolarHBondContact O-N 2.57Å; F62-A65 WeakPolarHBondContact O-CB 3.4Å; F62-A65 PolarHBondContact O-N 2.85Å; D63-A65 PolarHBondContact O-N 2.91Å; A65-S68 PolarHBondContact O-N 3.01Å; A65-S68 PolarHBondContact O-OG 2.79Å; A65-H69 WeakPolarHBondContact O-CA 3.38Å; A65-H69 PolarHBondContact O-N 2.94Å; A65-S70 VanDerWaalsContact CA-O 3.3Å; A65-S70 WeakPolarHBondContact CA-O 3.45Å; A65-S70 VanDerWaalsContact CB-O 3.25Å; A65-S70 WeakPolarHBondContact CB-O 3.49Å; A65-S70 PolarHBondContact O-N 2.95Å; A65-V72 VanDerWaalsContact C-CG2 3.46Å; A65-V72 HydrophobicContact CB-CG2 4.11Å; A65-V72 VanDerWaalsContact O-CG2 3.26Å; A65-V72 WeakPolarHBondContact O-CG2 3.47Å; A65-T75 HydrophobicContact CB-CG2 3.98Å; A65-T75 VanDerWaalsContact CB-OG1 3.31Å; A65-T75 WeakPolarHBondContact CB-OG1 3.26Å
66V92.9Very high93.2Very high13 Ų1352.5 Ų52.58%0.07928%0.28CS..Hα-helixtrans-64.1-49175.8175.40000110.7F62 D63 S68 H69 V72 V145 K147F62-V66 HydrophobicContact CD1-CG2 4.43Å; F62-V66 HydrophobicContact CD2-CG2 4.19Å; F62-V66 HydrophobicContact CE1-CG2 4.08Å; F62-V66 HydrophobicContact CE2-CG2 3.81Å; F62-V66 HydrophobicContact CG-CG2 4.49Å; F62-V66 HydrophobicContact CZ-CG2 3.75Å; F62-V66 WeakPolarHBondContact O-CG2 3.22Å; F62-V66 PolarHBondContact O-N 3.36Å; D63-V66 PolarHBondContact O-N 3.08Å; V66-S68 VanDerWaalsContact C-N 3.27Å; V66-S68 PolarHBondContact O-N 2.87Å; V66-H69 PolarHBondContact O-N 2.82Å; V66-H69 VanDerWaalsContact O-N 3.11Å; V66-H69 PolarHBondContact O-ND1 3.04Å; V66-V72 HydrophobicContact CG2-CG1 4.1Å; V66-V72 HydrophobicContact CG2-CG2 4.15Å; V66-V145 HydrophobicContact CB-CG2 4.29Å; V66-V145 HydrophobicContact CG1-CG2 3.96Å; V66-V145 HydrophobicContact CG2-CG2 3.34Å; V66-K147 HydrophobicContact CG1-CD 4.34Å
67D92.8Very high93.7Very high100 Ų10052.8 Ų52.854%0.53528%0.284SS..Hα-helixtrans-63.4-35.1-179.6-69.6-7.9000112D63 H69 K147D63-D67 PolarHBondContact O-N 2.95Å; D67-H69 PolarHBondContact O-ND1 3.09Å; D67-K147 IonicContact OD1-NZ 3.34Å; D67-K147 PolarHBondContact OD1-NZ 2.91Å; D67-K147 IonicContact OD2-NZ 2.9Å; D67-K147 PolarHBondContact OD2-NZ 2.8Å
68S94.3Very high94Very high75 Ų7555.7 Ų55.752%0.52429%0.288SS..Hα-helixtrans-85.7-6.3177.567.60000114.6R64 A65 V66 S70R64-S68 VanDerWaalsContact O-CB 3.24Å; R64-S68 WeakPolarHBondContact O-CB 3.36Å; R64-S68 PolarHBondContact O-N 2.76Å; R64-S68 PolarHBondContact O-OG 2.9Å; A65-S68 PolarHBondContact O-N 3.01Å; A65-S68 PolarHBondContact O-OG 2.79Å; V66-S68 VanDerWaalsContact C-N 3.27Å; V66-S68 PolarHBondContact O-N 2.87Å; S68-S70 PolarHBondContact O-N 3.11Å
69H91.8Very high94Very high119 Ų11954.4 Ų54.455%0.55128%0.281SS*.THydrogen-bonded Turntrans52.634.8-173.8-56.267.9000113.3A65 V66 D67 Q143A65-H69 WeakPolarHBondContact O-CA 3.38Å; A65-H69 PolarHBondContact O-N 2.94Å; V66-H69 PolarHBondContact O-N 2.82Å; V66-H69 VanDerWaalsContact O-N 3.11Å; V66-H69 PolarHBondContact O-ND1 3.04Å; D67-H69 PolarHBondContact O-ND1 3.09Å; H69-Q143 HydrophobicContact CB-CB 4.39Å
70S93.9Very high94.2Very high81 Ų8154.2 Ų54.257%0.56628%0.281SS*.SBendtrans-143.6130.5-176.1-166.30000111.8A65 S68 V72A65-S70 VanDerWaalsContact CA-O 3.3Å; A65-S70 WeakPolarHBondContact CA-O 3.45Å; A65-S70 VanDerWaalsContact CB-O 3.25Å; A65-S70 WeakPolarHBondContact CB-O 3.49Å; A65-S70 PolarHBondContact O-N 2.95Å; S68-S70 PolarHBondContact O-N 3.11Å; S70-V72 VanDerWaalsContact C-N 3.3Å; S70-V72 PolarHBondContact O-N 2.84Å
71G93.7Very high94.3Very high27 Ų2754.9 Ų54.928%0.27829%0.286SS..SBendtrans75.416.1177.700000114.5Q74 T75G71-Q74 VanDerWaalsContact C-OE1 3.28Å; G71-Q74 VanDerWaalsContact CA-OE1 3.27Å; G71-Q74 PolarHBondContact O-N 2.82Å; G71-Q74 PolarHBondContact O-OE1 3.01Å; G71-T75 PolarHBondContact O-N 3.01Å; G71-T75 VanDerWaalsContact O-N 3.16Å; G71-T75 PolarHBondContact O-OG1 3.18Å
72V95.2Very high94.2Very high0 Ų056 Ų560%028%0.284CS..Hα-helixtrans-59.6-47.1-177177.40000112.4F62 A65 V66 S70 Q74 T75 A76 I137 V145F62-V72 HydrophobicContact CE2-CG1 3.97Å; A65-V72 VanDerWaalsContact C-CG2 3.46Å; A65-V72 HydrophobicContact CB-CG2 4.11Å; A65-V72 VanDerWaalsContact O-CG2 3.26Å; A65-V72 WeakPolarHBondContact O-CG2 3.47Å; V66-V72 HydrophobicContact CG2-CG1 4.1Å; V66-V72 HydrophobicContact CG2-CG2 4.15Å; S70-V72 VanDerWaalsContact C-N 3.3Å; S70-V72 PolarHBondContact O-N 2.84Å; V72-Q74 PolarHBondContact O-N 3.37Å; V72-T75 PolarHBondContact O-N 3.48Å; V72-T75 PolarHBondContact O-OG1 2.73Å; V72-T75 VanDerWaalsContact O-OG1 3.05Å; V72-A76 VanDerWaalsContact O-CB 3.3Å; V72-A76 WeakPolarHBondContact O-CB 3.42Å; V72-A76 PolarHBondContact O-N 2.8Å; V72-I137 HydrophobicContact CG1-CG2 3.63Å; V72-V145 HydrophobicContact CG1-CG1 3.97Å; V72-V145 HydrophobicContact CG1-CG2 3.77Å
73P95.4Very high94Very high16 Ų1656.2 Ų56.210%0.10429%0.285CS..Hα-helixtrans-61.2-40.5-179.9-25.736.5000113.4A77P73-A77 WeakPolarHBondContact O-CB 3.49Å; P73-A77 PolarHBondContact O-N 2.63Å
74Q95.9Very high93.9Very high116 Ų11658.5 Ų58.554%0.54229%0.294SS..Hα-helixtrans-69.8-39.5-178.3-63.581.80.600111.9G71 V72 R78G71-Q74 VanDerWaalsContact C-OE1 3.28Å; G71-Q74 VanDerWaalsContact CA-OE1 3.27Å; G71-Q74 PolarHBondContact O-N 2.82Å; G71-Q74 PolarHBondContact O-OE1 3.01Å; V72-Q74 PolarHBondContact O-N 3.37Å; Q74-R78 WeakPolarHBondContact O-CG 3.32Å; Q74-R78 PolarHBondContact O-N 3.28Å
75T95.9Very high93.6Very high20 Ų2054.8 Ų54.812%0.12329%0.287CS..Hα-helixtrans-74.2-34.7177.650.50000111.8A61 A65 G71 V72 R78 L79A61-T75 HydrophobicContact CB-CG2 4.12Å; A65-T75 HydrophobicContact CB-CG2 3.98Å; A65-T75 VanDerWaalsContact CB-OG1 3.31Å; A65-T75 WeakPolarHBondContact CB-OG1 3.26Å; G71-T75 PolarHBondContact O-N 3.01Å; G71-T75 VanDerWaalsContact O-N 3.16Å; G71-T75 PolarHBondContact O-OG1 3.18Å; V72-T75 PolarHBondContact O-N 3.48Å; V72-T75 PolarHBondContact O-OG1 2.73Å; V72-T75 VanDerWaalsContact O-OG1 3.05Å; T75-R78 PolarHBondContact O-N 2.83Å; T75-L79 WeakPolarHBondContact O-CB 3.36Å; T75-L79 PolarHBondContact O-N 2.91Å
76A95.9Very high93.1Very high0 Ų054.7 Ų54.70%029%0.285CS..Hα-helixtrans-62.2-44.9172.100000112.3F62 V72 L79 K80 L134 I137F62-A76 HydrophobicContact CD2-CB 4.08Å; F62-A76 HydrophobicContact CE2-CB 3.8Å; V72-A76 VanDerWaalsContact O-CB 3.3Å; V72-A76 WeakPolarHBondContact O-CB 3.42Å; V72-A76 PolarHBondContact O-N 2.8Å; A76-L79 PolarHBondContact O-N 3.01Å; A76-K80 WeakPolarHBondContact O-CB 3.5Å; A76-K80 PolarHBondContact O-N 2.78Å; A76-L134 HydrophobicContact CB-CD2 4.15Å; A76-I137 HydrophobicContact CB-CB 3.97Å; A76-I137 HydrophobicContact CB-CG2 3.62Å
77A96Very high92.8Very high30 Ų3058.4 Ų58.425%0.24830%0.298CS..Hα-helixtrans-60.3-45.4176.700000112P73 K80 E81 A138P73-A77 WeakPolarHBondContact O-CB 3.49Å; P73-A77 PolarHBondContact O-N 2.63Å; A77-K80 WeakPolarHBondContact O-CB 3.5Å; A77-K80 PolarHBondContact O-N 2.82Å; A77-E81 WeakPolarHBondContact O-CG 3.24Å; A77-E81 PolarHBondContact O-N 2.77Å; A77-A138 HydrophobicContact CB-CB 4.04Å
78R95.3Very high92.3Very high155 Ų15560.3 Ų60.359%0.58531%0.308SS*.Hα-helixtrans-62.6-45.4176.1-71.5177.5-173.7-175.22.1112.5Q74 T75 K80 E81 R82Q74-R78 WeakPolarHBondContact O-CG 3.32Å; Q74-R78 PolarHBondContact O-N 3.28Å; T75-R78 PolarHBondContact O-N 2.83Å; R78-K80 VanDerWaalsContact C-N 3.3Å; R78-K80 PolarHBondContact O-N 2.85Å; R78-E81 PolarHBondContact O-N 2.9Å; R78-R82 WeakPolarHBondContact O-CB 3.41Å; R78-R82 PolarHBondContact O-N 2.93Å
79L94.1Very high92Very high2 Ų257.3 Ų57.31%0.0129%0.287CS..Hα-helixtrans-62.6-38.8177-17960.9000111.4D58 W59 F62 T75 A76 R82 L83 L134 L150D58-L79 HydrophobicContact CB-CD1 4.2Å; W59-L79 HydrophobicContact CB-CD1 4.44Å; W59-L79 HydrophobicContact CE3-CD2 3.84Å; W59-L79 HydrophobicContact CZ3-CD2 4.45Å; F62-L79 HydrophobicContact CB-CD2 4.2Å; F62-L79 HydrophobicContact CD1-CD2 4Å; F62-L79 HydrophobicContact CG-CD2 4.16Å; T75-L79 WeakPolarHBondContact O-CB 3.36Å; T75-L79 PolarHBondContact O-N 2.91Å; A76-L79 PolarHBondContact O-N 3.01Å; L79-R82 PolarHBondContact O-N 3.33Å; L79-L83 HydrophobicContact CD1-CD1 4.4Å; L79-L83 HydrophobicContact CD1-CG 4.18Å; L79-L83 HydrophobicContact CG-CD1 4.21Å; L79-L83 HydrophobicContact CG-CG 4.39Å; L79-L83 WeakPolarHBondContact O-CB 3.42Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.18Å; L79-L83 PolarHBondContact O-N 2.93Å; L79-L134 HydrophobicContact CB-CD1 4.4Å; L79-L134 HydrophobicContact CD2-CD1 4.18Å; L79-L134 HydrophobicContact CD2-CD2 4.03Å; L79-L134 HydrophobicContact CG-CD1 3.99Å; L79-L150 HydrophobicContact CD2-CD1 3.93Å
80K94.9Very high91.8Very high30 Ų3054.4 Ų54.413%0.1327%0.273CS..Hα-helixtrans-60-53.3174.3-177.8-164.2177.2-1690111A76 A77 R78 R82 L83 Q84 L131 L134 E135A76-K80 WeakPolarHBondContact O-CB 3.5Å; A76-K80 PolarHBondContact O-N 2.78Å; A77-K80 WeakPolarHBondContact O-CB 3.5Å; A77-K80 PolarHBondContact O-N 2.82Å; R78-K80 VanDerWaalsContact C-N 3.3Å; R78-K80 PolarHBondContact O-N 2.85Å; K80-R82 VanDerWaalsContact C-N 3.26Å; K80-R82 PolarHBondContact O-N 3.43Å; K80-L83 PolarHBondContact O-N 2.94Å; K80-Q84 WeakPolarHBondContact O-CG 3.42Å; K80-Q84 PolarHBondContact O-N 2.76Å; K80-L131 HydrophobicContact CG-CD2 4.05Å; K80-L134 HydrophobicContact CB-CB 3.88Å; K80-L134 HydrophobicContact CB-CD1 4.19Å; K80-L134 HydrophobicContact CG-CB 4.4Å; K80-E135 HydrophobicContact CD-CB 4.05Å; K80-E135 IonicContact NZ-OE1 3.99Å; K80-E135 PolarHBondContact NZ-OE1 2.91Å; K80-E135 IonicContact NZ-OE2 2.89Å; K80-E135 PolarHBondContact NZ-OE2 2.92Å; K80-E135 VanDerWaalsContact NZ-OE2 3.09Å
81E93.2Very high91.7Very high119 Ų11951.1 Ų51.156%0.55625%0.251SS*.Hα-helixtrans-55.5-45.2177.8-73.1174.7-176.800110.6A77 R78 L83 Q84 D85A77-E81 WeakPolarHBondContact O-CG 3.24Å; A77-E81 PolarHBondContact O-N 2.77Å; R78-E81 PolarHBondContact O-N 2.9Å; E81-L83 PolarHBondContact O-N 2.83Å; E81-Q84 WeakPolarHBondContact O-CB 3.39Å; E81-Q84 PolarHBondContact O-N 2.9Å; E81-D85 PolarHBondContact O-N 2.84Å
82R90.4Very high91.6Very high53 Ų5350.9 Ų50.920%0.225%0.245CC..Hα-helixtrans-64.8-40.4179.1-173.360.359.4-142.4-10.7113.1K54 I55 D58 R78 L79 K80 Q84 D85 F86K54-R82 HydrophobicContact CB-CG 4.43Å; I55-R82 HydrophobicContact CB-CG 4.17Å; I55-R82 HydrophobicContact CG1-CG 3.42Å; I55-R82 VanDerWaalsContact CG1-CG 3.42Å; D58-R82 WeakPolarHBondContact OD2-CB 3.4Å; D58-R82 WeakPolarHBondContact OD2-CG 3.36Å; D58-R82 IonicContact OD2-NE 3.47Å; D58-R82 PolarHBondContact OD2-NE 2.86Å; R78-R82 WeakPolarHBondContact O-CB 3.41Å; R78-R82 PolarHBondContact O-N 2.93Å; L79-R82 PolarHBondContact O-N 3.33Å; K80-R82 VanDerWaalsContact C-N 3.26Å; K80-R82 PolarHBondContact O-N 3.43Å; R82-Q84 VanDerWaalsContact C-N 3.33Å; R82-D85 IonicContact CZ-OD2 3.09Å; R82-D85 IonicContact NH1-OD2 2.71Å; R82-D85 PolarHBondContact NH1-OD2 2.81Å; R82-D85 PolarHBondContact O-N 2.95Å; R82-F86 WeakPolarHBondContact O-CB 3.48Å; R82-F86 PolarHBondContact O-N 2.96Å
83L91.2Very high91.5Very high4 Ų452.6 Ų52.62%0.02126%0.259CS..Hα-helixtrans-68.2-33.5174-73.6179.4000111.7I55 L79 K80 E81 F86 R87 V126 L131 L134 I199I55-L83 HydrophobicContact CG2-CD2 4.27Å; L79-L83 HydrophobicContact CD1-CD1 4.4Å; L79-L83 HydrophobicContact CD1-CG 4.18Å; L79-L83 HydrophobicContact CG-CD1 4.21Å; L79-L83 HydrophobicContact CG-CG 4.39Å; L79-L83 WeakPolarHBondContact O-CB 3.42Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.18Å; L79-L83 PolarHBondContact O-N 2.93Å; K80-L83 PolarHBondContact O-N 2.94Å; E81-L83 PolarHBondContact O-N 2.83Å; L83-F86 PolarHBondContact O-N 2.87Å; L83-R87 PolarHBondContact O-N 3.41Å; L83-V126 HydrophobicContact CB-CG1 3.85Å; L83-V126 HydrophobicContact CB-CG2 4.13Å; L83-V126 HydrophobicContact CD1-CG1 4.46Å; L83-V126 HydrophobicContact CD2-CG2 4.06Å; L83-V126 VanDerWaalsContact O-CG2 3.29Å; L83-V126 WeakPolarHBondContact O-CG2 3.48Å; L83-L131 HydrophobicContact CB-CD2 3.96Å; L83-L134 HydrophobicContact CD1-CD1 3.67Å; L83-I199 HydrophobicContact CD2-CD1 3.58Å
84Q90.9Very high91.5Very high93 Ų9353.3 Ų53.344%0.43526%0.261SS..Hα-helixtrans-64.5-43.3172.6-73.1177.1-32.800111.6K80 E81 R82 F86 R87 L131K80-Q84 WeakPolarHBondContact O-CG 3.42Å; K80-Q84 PolarHBondContact O-N 2.76Å; E81-Q84 WeakPolarHBondContact O-CB 3.39Å; E81-Q84 PolarHBondContact O-N 2.9Å; R82-Q84 VanDerWaalsContact C-N 3.33Å; Q84-F86 VanDerWaalsContact C-N 3.3Å; Q84-F86 PolarHBondContact O-N 3.34Å; Q84-R87 VanDerWaalsContact O-CB 3.28Å; Q84-R87 WeakPolarHBondContact O-CB 3.02Å; Q84-R87 PolarHBondContact O-N 3.47Å; Q84-L131 HydrophobicContact CG-CD1 4.04Å; Q84-L131 HydrophobicContact CG-CD2 3.73Å
85D86.9Confident91.6Very high90 Ų9050.4 Ų50.448%0.48126%0.257SS..Hα-helixtrans-61.6-38.7174.4-71.5-15.3000111.9E81 R82 R87 T89E81-D85 PolarHBondContact O-N 2.84Å; R82-D85 IonicContact CZ-OD2 3.09Å; R82-D85 IonicContact NH1-OD2 2.71Å; R82-D85 PolarHBondContact NH1-OD2 2.81Å; R82-D85 PolarHBondContact O-N 2.95Å; D85-R87 VanDerWaalsContact C-N 3.31Å; D85-T89 VanDerWaalsContact O-CG2 3.24Å; D85-T89 WeakPolarHBondContact O-CG2 3.33Å
86F85.5Confident91.7Very high6 Ų650.6 Ų50.63%0.02626%0.262CS..Hα-helixtrans-73.4-22.8178.9-174.1-119000113.3I48 N51 I55 R82 L83 Q84 N88 T89 V126 A154 I199I48-F86 HydrophobicContact CG1-CE2 4.33Å; I48-F86 HydrophobicContact CG2-CE2 4.38Å; N51-F86 HydrophobicContact CB-CD2 4.47Å; I55-F86 HydrophobicContact CD1-CB 3.46Å; I55-F86 VanDerWaalsContact CD1-CB 3.46Å; I55-F86 HydrophobicContact CD1-CD1 3.66Å; I55-F86 HydrophobicContact CD1-CD2 3.48Å; I55-F86 VanDerWaalsContact CD1-CD2 3.48Å; I55-F86 HydrophobicContact CD1-CE1 4.2Å; I55-F86 HydrophobicContact CD1-CE2 4.08Å; I55-F86 HydrophobicContact CD1-CG 3.24Å; I55-F86 HydrophobicContact CD1-CZ 4.4Å; I55-F86 HydrophobicContact CG1-CB 4.41Å; R82-F86 WeakPolarHBondContact O-CB 3.48Å; R82-F86 PolarHBondContact O-N 2.96Å; L83-F86 PolarHBondContact O-N 2.87Å; Q84-F86 VanDerWaalsContact C-N 3.3Å; Q84-F86 PolarHBondContact O-N 3.34Å; F86-N88 PolarHBondContact O-N 3.04Å; F86-T89 WeakPolarHBondContact CD2-OG1 3.44Å; F86-T89 WeakPolarHBondContact O-CB 3.37Å; F86-T89 WeakPolarHBondContact O-CG2 3.35Å; F86-T89 PolarHBondContact O-N 2.78Å; F86-T89 PolarHBondContact O-OG1 2.97Å; F86-V126 HydrophobicContact CD1-CG2 3.97Å; F86-A154 HydrophobicContact CZ-CB 4.3Å; F86-I199 HydrophobicContact CD1-CD1 3.95Å; F86-I199 HydrophobicContact CE1-CD1 3.81Å; F86-I199 HydrophobicContact CE1-CG1 4.44Å
87R86.3Confident91.8Very high90 Ų9053.6 Ų53.634%0.3428%0.281SS..THydrogen-bonded Turntrans-60.7132.4-179.8-170.4-171.9-179.3152.79.7110L83 Q84 D85 T89 V126 D128L83-R87 PolarHBondContact O-N 3.41Å; Q84-R87 VanDerWaalsContact O-CB 3.28Å; Q84-R87 WeakPolarHBondContact O-CB 3.02Å; Q84-R87 PolarHBondContact O-N 3.47Å; D85-R87 VanDerWaalsContact C-N 3.31Å; R87-T89 PolarHBondContact O-N 2.83Å; R87-V126 HydrophobicContact CB-CB 4.26Å; R87-V126 HydrophobicContact CB-CG2 4.43Å; R87-V126 HydrophobicContact CG-CB 4.37Å; R87-D128 IonicContact CZ-OD1 3.93Å; R87-D128 IonicContact NH1-OD1 3.01Å; R87-D128 PolarHBondContact NH1-OD1 3.08Å; R87-D128 IonicContact NH2-OD1 3.17Å; R87-D128 PolarHBondContact NH2-OD1 2.76Å; R87-D128 IonicContact NH2-OD2 2.72Å; R87-D128 PolarHBondContact NH2-OD2 2.81Å
88N81.7Confident92Very high141 Ų14152.8 Ų52.875%0.75427%0.273SS*.THydrogen-bonded Turntrans63.118179.4-46.7-45.7000114F86 G124F86-N88 PolarHBondContact O-N 3.04Å; N88-G124 PolarHBondContact N-O 2.88Å; N88-G124 VanDerWaalsContact N-O 3.12Å
89T87.6Confident92.1Very high12 Ų1246.3 Ų46.37%0.07425%0.253CS..  trans-74.6144.2168.558.30000110.1I48 D85 F86 R87 D123 G124I48-T89 HydrophobicContact CG1-CG2 4.49Å; I48-T89 WeakPolarHBondContact CG1-OG1 3.42Å; D85-T89 VanDerWaalsContact O-CG2 3.24Å; D85-T89 WeakPolarHBondContact O-CG2 3.33Å; F86-T89 WeakPolarHBondContact CD2-OG1 3.44Å; F86-T89 WeakPolarHBondContact O-CB 3.37Å; F86-T89 WeakPolarHBondContact O-CG2 3.35Å; F86-T89 PolarHBondContact O-N 2.78Å; F86-T89 PolarHBondContact O-OG1 2.97Å; R87-T89 PolarHBondContact O-N 2.83Å; T89-D123 WeakPolarHBondContact O-CA 3.22Å; T89-G124 PolarHBondContact O-N 3.03Å; T89-G124 VanDerWaalsContact O-N 3.14Å
90H88.9Confident92.3Very high58 Ų5846.3 Ų46.327%0.26925%0.253SS..EExtended strand (participates in β ladder)trans-140.4130.8178.8179.881.9000109.8P45 V122 D123 D293P45-H90 WeakPolarHBondContact CD-O 3.41Å; P45-H90 WeakPolarHBondContact CG-O 3.41Å; H90-V122 WeakPolarHBondContact CA-O 3.42Å; H90-D123 IonicContact CE1-OD1 3.34Å; H90-D123 IonicContact CG-OD1 2.89Å; H90-D123 IonicContact ND1-OD1 3.43Å; H90-D123 PolarHBondContact ND1-OD1 2.8Å; H90-D293 IonicContact CE1-OD1 2.64Å; H90-D293 PolarHBondContact CE1-OD1 3.34Å
91A90.3Very high92.5Very high11 Ų1146.1 Ų46.19%0.09126%0.257CS..EExtended strand (participates in β ladder)trans-130.7145173.100000108.5S43 D44 I48 S121 V122S43-A91 CarbonylContact O-C 3.56Å; S43-A91 WeakPolarHBondContact O-CA 3.27Å; D44-A91 HydrophobicContact CB-CB 4.3Å; I48-A91 HydrophobicContact CB-CB 4.09Å; I48-A91 HydrophobicContact CD1-CB 3.49Å; I48-A91 VanDerWaalsContact CD1-CB 3.49Å; I48-A91 HydrophobicContact CG1-CB 4.3Å; A91-S121 CarbonylContact O-C 3.52Å; A91-S121 WeakPolarHBondContact O-CA 3.37Å; A91-V122 PolarHBondContact N-O 2.77Å; A91-V122 PolarHBondContact O-N 2.88Å
92S92.5Very high92.7Very high23 Ų2340.5 Ų40.516%0.16123%0.231CC..EExtended strand (participates in β ladder)trans-140.9147.1177.5630000111.9S43 V120S43-S92 PolarHBondContact N-O 3.44Å; S43-S92 PolarHBondContact O-N 3.09Å; S92-V120 CarbonylContact C-O 3.53Å; S92-V120 WeakPolarHBondContact CA-O 3.41Å; S92-V120 WeakPolarHBondContact CB-O 3.26Å
93A93.5Very high93Very high35 Ų3542.7 Ų42.729%0.28925%0.246SC..EExtended strand (participates in β ladder)trans-129.6144.1172.200000109.4Q41 L42 T119 V120Q41-A93 CarbonylContact O-C 3.57Å; Q41-A93 VanDerWaalsContact O-CA 3.25Å; Q41-A93 WeakPolarHBondContact O-CA 3.37Å; L42-A93 HydrophobicContact CD1-CB 4.04Å; A93-T119 CarbonylContact O-C 3.56Å; A93-T119 WeakPolarHBondContact O-CA 3.43Å; A93-V120 HydrophobicContact CB-CB 4.5Å; A93-V120 PolarHBondContact N-O 2.8Å; A93-V120 PolarHBondContact O-N 2.85Å
94Q95.5Very high93.2Very high32 Ų3243.8 Ų43.815%0.1525%0.253CS..EExtended strand (participates in β ladder)trans-129.5140.7174.3-74.3166.583.800108.7A40 Q41 G118A40-Q94 CarbonylContact C-O 3.49Å; A40-Q94 VanDerWaalsContact CA-O 3.23Å; A40-Q94 WeakPolarHBondContact CA-O 3.37Å; Q41-Q94 PolarHBondContact N-O 3.03Å; Q41-Q94 PolarHBondContact O-N 3.21Å; Q94-G118 CarbonylContact C-O 3.56Å; Q94-G118 VanDerWaalsContact CA-O 3.23Å; Q94-G118 WeakPolarHBondContact CA-O 3.39Å
95A97.8Very high93.3Very high55 Ų5541 Ų4146%0.45525%0.25SC..EExtended strand (participates in β ladder)trans-137.5139173.100000109.1G39 A40 G118G39-A95 CarbonylContact O-C 3.57Å; G39-A95 WeakPolarHBondContact O-CA 3.21Å; A40-A95 HydrophobicContact CB-CB 4.49Å; A95-G118 PolarHBondContact N-O 2.93Å; A95-G118 PolarHBondContact O-N 2.86Å
96G98Very high93.3Very high23 Ų2345 Ų4524%0.23727%0.271CS..EExtended strand (participates in β ladder)trans-134.4142.8-177.300000111.3V38 G39 T116V38-G96 CarbonylContact C-O 3.57Å; V38-G96 WeakPolarHBondContact CA-O 3.43Å; G39-G96 PolarHBondContact N-O 2.78Å; G39-G96 PolarHBondContact O-N 2.93Å; G96-T116 CarbonylContact C-O 3.48Å; G96-T116 VanDerWaalsContact CA-O 3.24Å; G96-T116 WeakPolarHBondContact CA-O 3.23Å
97V98.4Very high93.5Very high64 Ų6450.5 Ų50.539%0.38831%0.305SS..EExtended strand (participates in β ladder)trans-131.7140.5165.859.40000109.1S37 V38 T116S37-V97 CarbonylContact O-C 3.51Å; S37-V97 WeakPolarHBondContact O-CA 3.39Å; V38-V97 HydrophobicContact CG2-CG2 4.09Å; V97-T116 PolarHBondContact N-O 2.86Å; V97-T116 PolarHBondContact O-N 2.77Å
98S98.4Very high94Very high13 Ų1350.7 Ų50.79%0.09131%0.312CS..EExtended strand (participates in β ladder)trans-143.3155.8175.659.50000112.6L16 S37 L114L16-S98 WeakPolarHBondContact CD1-OG 3.39Å; S37-S98 WeakPolarHBondContact CB-OG 3.44Å; S37-S98 PolarHBondContact N-O 3.47Å; S37-S98 PolarHBondContact O-N 2.87Å; S98-L114 CarbonylContact C-O 3.5Å; S98-L114 WeakPolarHBondContact CA-O 3.42Å; S98-L114 WeakPolarHBondContact CB-O 3.29Å
99A98.6Very high94.8Very high18 Ų1844 Ų4415%0.14928%0.277CS..EExtended strand (participates in β ladder)trans-141.2141.1171.700000109.1L34 L35 L114L34-A99 CarbonylContact O-C 3.59Å; L34-A99 WeakPolarHBondContact O-CA 3.46Å; L35-A99 HydrophobicContact CD1-CB 3.51Å; A99-L114 HydrophobicContact CB-CB 4.44Å; A99-L114 PolarHBondContact N-O 2.92Å; A99-L114 PolarHBondContact O-N 2.62Å
100V98.6Very high95.3Very high2 Ų244.7 Ų44.71%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-138.9131.8178.7-176.90000108.7G12 P15 L16 L33 L34 A102 A111 L112 M113G12-V100 WeakPolarHBondContact O-CB 3.36Å; G12-V100 VanDerWaalsContact O-CG1 3.29Å; G12-V100 WeakPolarHBondContact O-CG1 3.39Å; P15-V100 HydrophobicContact CG-CG1 3.96Å; L16-V100 HydrophobicContact CD1-CG2 3.99Å; L16-V100 HydrophobicContact CD2-CG2 4.03Å; L16-V100 HydrophobicContact CG-CG2 3.84Å; L33-V100 CarbonylContact C-O 3.55Å; L33-V100 WeakPolarHBondContact CA-O 3.32Å; L34-V100 HydrophobicContact CB-CB 4.07Å; L34-V100 HydrophobicContact CD2-CB 4.41Å; L34-V100 HydrophobicContact CD2-CG2 4.04Å; L34-V100 PolarHBondContact N-O 2.91Å; L34-V100 PolarHBondContact O-N 2.83Å; V100-A102 HydrophobicContact CG1-CB 4.49Å; V100-A111 HydrophobicContact CG1-CB 4.13Å; V100-L112 CarbonylContact C-O 3.51Å; V100-L112 WeakPolarHBondContact CA-O 3.42Å; V100-M113 HydrophobicContact CG2-CB 4.22Å
101A98.4Very high95.8Very high27 Ų2742.1 Ų42.122%0.22327%0.273CS..EExtended strand (participates in β ladder)trans-116.1110.2168.100000107.6F31 S32 L33 A111 L112F31-A101 HydrophobicContact CE2-CB 4Å; F31-A101 HydrophobicContact CZ-CB 3.97Å; S32-A101 CarbonylContact O-C 3.52Å; S32-A101 WeakPolarHBondContact O-CA 3.33Å; L33-A101 HydrophobicContact CD1-CB 4.09Å; A101-A111 CarbonylContact O-C 3.59Å; A101-A111 WeakPolarHBondContact O-CA 3.31Å; A101-A111 WeakPolarHBondContact O-CB 3.49Å; A101-L112 PolarHBondContact N-O 2.89Å; A101-L112 PolarHBondContact O-N 2.87Å
102A98.3Very high96.2Very high0 Ų046.4 Ų46.40%029%0.293CS..EExtended strand (participates in β ladder)trans-109.1135.3-175.400000111Y11 L22 F31 S32 V100 A111Y11-A102 HydrophobicContact CD2-CB 4.25Å; Y11-A102 HydrophobicContact CE2-CB 4.24Å; L22-A102 HydrophobicContact CD2-CB 4.1Å; F31-A102 WeakPolarHBondContact CA-O 3.41Å; F31-A102 WeakPolarHBondContact CD2-O 3.06Å; S32-A102 PolarHBondContact N-O 2.82Å; S32-A102 PolarHBondContact O-N 2.8Å; V100-A102 HydrophobicContact CG1-CB 4.49Å; A102-A111 HydrophobicContact CB-CB 3.94Å
103L96.9Very high96.4Very high99 Ų9945.4 Ų45.452%0.51829%0.286SS..EExtended strand (participates in β ladder)trans-116.6100.2176.2-71164.3000107.8F31 A110F31-L103 HydrophobicContact CD2-CD2 3.63Å; F31-L103 HydrophobicContact CD2-CG 4.15Å; F31-L103 HydrophobicContact CE2-CD2 4.28Å; F31-L103 HydrophobicContact CE2-CG 4.48Å; L103-A110 PolarHBondContact N-O 2.9Å; L103-A110 PolarHBondContact O-N 2.78Å
104P94.9Very high96.7Very high27 Ų2747.5 Ų47.518%0.17529%0.292CS..  trans-48.2149162.5-31.941.3000112.1Y11 S25 D29Y11-P104 HydrophobicContact CD2-CG 4.08Å; Y11-P104 HydrophobicContact CE2-CG 3.52Å; S25-P104 WeakPolarHBondContact OG-CB 3.35Å; D29-P104 HydrophobicContact CB-CG 4.18Å; D29-P104 VanDerWaalsContact O-CB 3.24Å; D29-P104 WeakPolarHBondContact O-CB 3.42Å; D29-P104 VanDerWaalsContact O-CG 3.28Å; D29-P104 WeakPolarHBondContact O-CG 3.47Å
105G91.7Very high96.8Very high35 Ų3548.7 Ų48.736%0.36130%0.297SS..  trans-163.9142.4175.600000111.4T107G105-T107 VanDerWaalsContact C-N 3.32Å; G105-T107 PolarHBondContact O-N 2.79Å
106D87.1Confident96.8Very high175 Ų17547.3 Ų47.394%0.93628%0.283SS*.SBendtrans-62.7-37.3-173.6-63.1-25.8000113.1
107T91.1Very high96.8Very high121 Ų12149.1 Ų49.174%0.74229%0.287SS*.SBendtrans-108.1-31-178.957.50000113.3G105 T170G105-T107 VanDerWaalsContact C-N 3.32Å; G105-T107 PolarHBondContact O-N 2.79Å; T107-T170 PolarHBondContact O-OG1 3.39Å
108L96.3Very high96.7Very high93 Ų9346.8 Ų46.849%0.48728%0.275SS..  trans-148.2107.5-176.6-174.570.7000108.3L168 A169L108-L168 HydrophobicContact CD1-CB 4.27Å; L108-L168 HydrophobicContact CD2-CD2 4.32Å; L108-A169 WeakPolarHBondContact CA-O 3.24Å
109A97.9Very high96.6Very high1 Ų146.7 Ų46.71%0.00828%0.275CS..EExtended strand (participates in β ladder)trans-80.4144.7167.700000109.2L22 L168 A169L22-A109 HydrophobicContact CB-CB 3.92Å; L22-A109 WeakPolarHBondContact O-CB 3.49Å; A109-L168 CarbonylContact O-C 3.6Å; A109-L168 WeakPolarHBondContact O-CA 3.33Å; A109-A169 PolarHBondContact N-O 2.91Å; A109-A169 PolarHBondContact O-N 2.86Å
110A98.5Very high96.4Very high27 Ų2748.9 Ų48.922%0.22329%0.286CS..EExtended strand (participates in β ladder)trans-136.6153.2-179.800000111.3L103 A167 L168L103-A110 PolarHBondContact N-O 2.9Å; L103-A110 PolarHBondContact O-N 2.78Å; A110-A167 CarbonylContact C-O 3.52Å; A110-A167 VanDerWaalsContact CA-O 3.25Å; A110-A167 WeakPolarHBondContact CA-O 3.16Å; A110-L168 HydrophobicContact CB-CD2 3.85Å
111A98.6Very high96.1Very high4 Ų448.9 Ų48.93%0.03329%0.286CS..EExtended strand (participates in β ladder)trans-149145.317000000112P15 L22 V100 A101 A102 V166 A167P15-A111 HydrophobicContact CG-CB 3.63Å; L22-A111 HydrophobicContact CD1-CB 4.08Å; L22-A111 HydrophobicContact CD2-CB 3.76Å; V100-A111 HydrophobicContact CG1-CB 4.13Å; A101-A111 CarbonylContact O-C 3.59Å; A101-A111 WeakPolarHBondContact O-CA 3.31Å; A101-A111 WeakPolarHBondContact O-CB 3.49Å; A102-A111 HydrophobicContact CB-CB 3.94Å; A111-V166 CarbonylContact O-C 3.56Å; A111-V166 WeakPolarHBondContact O-CA 3.5Å; A111-A167 HydrophobicContact CB-CB 4.37Å; A111-A167 PolarHBondContact N-O 2.81Å; A111-A167 PolarHBondContact O-N 2.87Å
112L98.7Very high95.6Very high100 Ų10049.4 Ų49.452%0.52429%0.286SS..EExtended strand (participates in β ladder)trans-94129.1164.5-178.168.3000108.4V100 A101 V166V100-L112 CarbonylContact C-O 3.51Å; V100-L112 WeakPolarHBondContact CA-O 3.42Å; A101-L112 PolarHBondContact N-O 2.89Å; A101-L112 PolarHBondContact O-N 2.87Å; L112-V166 HydrophobicContact CD1-CG2 4.12Å
113M98.3Very high95.1Very high3 Ų350.6 Ų50.62%0.01529%0.292CS..EExtended strand (participates in β ladder)trans-122.3141.5176.470.6169.7-163.700112P15 V100 V164 G165 T184 K186P15-M113 HydrophobicContact CB-CB 4.23Å; P15-M113 HydrophobicContact CB-SD 3.92Å; V100-M113 HydrophobicContact CG2-CB 4.22Å; M113-V164 WeakPolarHBondContact O-CA 3.48Å; M113-G165 WeakPolarHBondContact CG-O 3.44Å; M113-G165 PolarHBondContact N-O 2.83Å; M113-G165 PolarHBondContact O-N 2.86Å; M113-T184 HydrophobicContact CE-CG2 3.39Å; M113-T184 HydrophobicContact CG-CG2 4.48Å; M113-T184 HydrophobicContact SD-CG2 3.93Å; M113-K186 HydrophobicContact CE-CB 4.25Å; M113-K186 HydrophobicContact CE-CD 3.86Å
114L98.6Very high94.6Very high78 Ų7846 Ų4641%0.40827%0.269SS..EExtended strand (participates in β ladder)trans-123.2127.1165.3171.367000107.4S98 A99 T162 D163 V164S98-L114 CarbonylContact C-O 3.5Å; S98-L114 WeakPolarHBondContact CA-O 3.42Å; S98-L114 WeakPolarHBondContact CB-O 3.29Å; A99-L114 HydrophobicContact CB-CB 4.44Å; A99-L114 PolarHBondContact N-O 2.92Å; A99-L114 PolarHBondContact O-N 2.62Å; L114-T162 HydrophobicContact CD1-CG2 3.93Å; L114-D163 WeakPolarHBondContact CA-O 3.33Å; L114-V164 HydrophobicContact CD1-CG2 3.82Å
115K97.9Very high94Very high57 Ų5749 Ų4925%0.24828%0.279CS..EExtended strand (participates in β ladder)trans-138.3122177.9176.9-177179.9175.30109L16 T162 D163L16-K115 HydrophobicContact CD2-CB 4.14Å; L16-K115 HydrophobicContact CD2-CD 4.14Å; L16-K115 HydrophobicContact CD2-CG 4.41Å; K115-T162 CarbonylContact O-C 3.52Å; K115-T162 WeakPolarHBondContact O-CA 3.27Å; K115-D163 HydrophobicContact CB-CB 4.36Å; K115-D163 PolarHBondContact N-O 2.87Å; K115-D163 PolarHBondContact O-N 2.81Å
116T98.4Very high93.8Very high26 Ų2647.9 Ų47.916%0.1627%0.266CS..EExtended strand (participates in β ladder)trans-115.6127.3170.9-62.30000109.3G96 V97 L160 I161 T162G96-T116 CarbonylContact C-O 3.48Å; G96-T116 VanDerWaalsContact CA-O 3.24Å; G96-T116 WeakPolarHBondContact CA-O 3.23Å; V97-T116 PolarHBondContact N-O 2.86Å; V97-T116 PolarHBondContact O-N 2.77Å; T116-L160 HydrophobicContact CG2-CD1 3.44Å; T116-L160 VanDerWaalsContact CG2-CD1 3.44Å; T116-L160 HydrophobicContact CG2-CG 4Å; T116-I161 CarbonylContact C-O 3.58Å; T116-I161 WeakPolarHBondContact CA-O 3.3Å; T116-T162 WeakPolarHBondContact OG1-CG2 3.38Å; T116-T162 PolarHBondContact OG1-OG1 3.18Å; T116-T162 VanDerWaalsContact OG1-OG1 3.04Å
117L97.7Very high93.9Very high62 Ų6241.4 Ų41.433%0.32523%0.234SC..EExtended strand (participates in β ladder)trans-123.6117.8174.8179.767.2000109.3I161L117-I161 PolarHBondContact N-O 2.93Å; L117-I161 WeakPolarHBondContact O-CD1 3.39Å; L117-I161 PolarHBondContact O-N 2.9Å
118G96.9Very high93.9Very high14 Ų1439.7 Ų39.714%0.14422%0.22CC..EExtended strand (participates in β ladder)trans-97.6138168.300000110.8Q94 A95 A159Q94-G118 CarbonylContact C-O 3.56Å; Q94-G118 VanDerWaalsContact CA-O 3.23Å; Q94-G118 WeakPolarHBondContact CA-O 3.39Å; A95-G118 PolarHBondContact N-O 2.93Å; A95-G118 PolarHBondContact O-N 2.86Å; G118-A159 CarbonylContact C-O 3.51Å; G118-A159 VanDerWaalsContact CA-O 3.31Å; G118-A159 WeakPolarHBondContact CA-O 3.47Å
119T95.9Very high93.7Very high12 Ų1238.3 Ų38.37%0.07422%0.222CC..EExtended strand (participates in β ladder)trans-128.9142.6166.8-172.50000109.1A93 A158 A159 F259A93-T119 CarbonylContact O-C 3.56Å; A93-T119 WeakPolarHBondContact O-CA 3.43Å; T119-A158 CarbonylContact O-C 3.58Å; T119-A158 WeakPolarHBondContact O-CA 3.28Å; T119-A158 WeakPolarHBondContact O-CB 3.4Å; T119-A159 HydrophobicContact CG2-CB 3.86Å; T119-A159 PolarHBondContact N-O 3.47Å; T119-A159 PolarHBondContact O-N 2.85Å; T119-F259 HydrophobicContact CG2-CE2 4Å
120V93.3Very high93.4Very high64 Ų6438.5 Ų38.539%0.38822%0.223SC..EExtended strand (participates in β ladder)trans-129.5134.2174-1760000106.8S92 A93 R157 A158S92-V120 CarbonylContact C-O 3.53Å; S92-V120 WeakPolarHBondContact CA-O 3.41Å; S92-V120 WeakPolarHBondContact CB-O 3.26Å; A93-V120 HydrophobicContact CB-CB 4.5Å; A93-V120 PolarHBondContact N-O 2.8Å; A93-V120 PolarHBondContact O-N 2.85Å; V120-R157 CarbonylContact C-O 3.47Å; V120-R157 WeakPolarHBondContact CA-O 3.22Å; V120-A158 HydrophobicContact CB-CB 4.47Å; V120-A158 HydrophobicContact CG2-CB 3.91Å
121S92Very high93.2Very high2 Ų237.6 Ų37.61%0.01421%0.214CC..EExtended strand (participates in β ladder)trans-128.3137.4174-54.10000108.6A91 A156 R157 D293A91-S121 CarbonylContact O-C 3.52Å; A91-S121 WeakPolarHBondContact O-CA 3.37Å; S121-A156 WeakPolarHBondContact O-CA 3.3Å; S121-R157 PolarHBondContact N-O 3.32Å; S121-R157 PolarHBondContact O-N 3.02Å; S121-D293 PolarHBondContact OG-OD1 3.43Å; S121-D293 PolarHBondContact OG-OD2 3.08Å
122V89.1Confident93.1Very high38 Ų3842.1 Ų42.123%0.2324%0.238CC..EExtended strand (participates in β ladder)trans-125.6127.6176.4-1770000108.5I48 H90 A91 F155 A156I48-V122 HydrophobicContact CG2-CG1 4.21Å; H90-V122 WeakPolarHBondContact CA-O 3.42Å; A91-V122 PolarHBondContact N-O 2.77Å; A91-V122 PolarHBondContact O-N 2.88Å; V122-F155 CarbonylContact C-O 3.54Å; V122-F155 VanDerWaalsContact CA-O 3.26Å; V122-F155 WeakPolarHBondContact CA-O 3.4Å; V122-A156 HydrophobicContact CG2-CB 4.12Å
123D87.7Confident92.9Very high24 Ų2438.6 Ų38.613%0.12822%0.218CC..EExtended strand (participates in β ladder)trans-124.8138.2176.7-55.4-86.4000111.7T89 H90 F155 R157T89-D123 WeakPolarHBondContact O-CA 3.22Å; H90-D123 IonicContact CE1-OD1 3.34Å; H90-D123 IonicContact CG-OD1 2.89Å; H90-D123 IonicContact ND1-OD1 3.43Å; H90-D123 PolarHBondContact ND1-OD1 2.8Å; D123-F155 HydrophobicContact CB-CB 4.49Å; D123-F155 PolarHBondContact N-O 2.94Å; D123-F155 PolarHBondContact O-N 3.17Å; D123-R157 IonicContact OD1-NH2 2.84Å; D123-R157 IonicContact OD2-CZ 3.45Å; D123-R157 IonicContact OD2-NH1 3.41Å; D123-R157 PolarHBondContact OD2-NH1 2.74Å; D123-R157 IonicContact OD2-NH2 2.9Å; D123-R157 PolarHBondContact OD2-NH2 2.76Å
124G86.5Confident92.7Very high2 Ų238.5 Ų38.52%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-88.9109.7166.700000111.9N88 T89N88-G124 PolarHBondContact N-O 2.88Å; N88-G124 VanDerWaalsContact N-O 3.12Å; T89-G124 PolarHBondContact O-N 3.03Å; T89-G124 VanDerWaalsContact O-N 3.14Å
125K82.8Confident92.5Very high90 Ų9038.3 Ų38.339%0.39121%0.214SC..EExtended strand (participates in β ladder)trans-111.9115.6170.1-51.7-177.3-172.6164.90109.9Q153 F155 E257K125-Q153 PolarHBondContact N-O 2.81Å; K125-Q153 PolarHBondContact O-N 2.77Å; K125-F155 HydrophobicContact CB-CD2 3.88Å; K125-F155 HydrophobicContact CB-CE2 3.6Å; K125-F155 HydrophobicContact CD-CD2 3.66Å; K125-F155 HydrophobicContact CD-CE2 3.57Å; K125-F155 HydrophobicContact CD-CG 4.26Å; K125-F155 HydrophobicContact CD-CZ 4.07Å; K125-F155 HydrophobicContact CG-CD2 3.64Å; K125-F155 HydrophobicContact CG-CE2 3.76Å; K125-E257 IonicContact NZ-OE1 2.7Å
126V87.1Confident92.4Very high13 Ų1338.3 Ų38.38%0.07922%0.221CC..  trans-107.3132.3-179.81740000109.3L83 F86 R87 L131L83-V126 HydrophobicContact CB-CG1 3.85Å; L83-V126 HydrophobicContact CB-CG2 4.13Å; L83-V126 HydrophobicContact CD1-CG1 4.46Å; L83-V126 HydrophobicContact CD2-CG2 4.06Å; L83-V126 VanDerWaalsContact O-CG2 3.29Å; L83-V126 WeakPolarHBondContact O-CG2 3.48Å; F86-V126 HydrophobicContact CD1-CG2 3.97Å; R87-V126 HydrophobicContact CB-CB 4.26Å; R87-V126 HydrophobicContact CB-CG2 4.43Å; R87-V126 HydrophobicContact CG-CB 4.37Å; V126-L131 HydrophobicContact CG1-CD1 4.08Å; V126-L131 HydrophobicContact CG1-CD2 3.74Å; V126-L131 HydrophobicContact CG1-CG 3.73Å
127S88Confident92.2Very high39 Ų3937.2 Ų37.227%0.27322%0.215SC..  trans-75.3133179.6177.10000110.7A129 D130 L131 S152S127-A129 PolarHBondContact O-N 2.82Å; S127-A129 WeakPolarHBondContact OG-CB 3.24Å; S127-A129 PolarHBondContact OG-N 2.84Å; S127-D130 WeakPolarHBondContact O-CB 3.43Å; S127-D130 PolarHBondContact O-N 2.93Å; S127-D130 VanDerWaalsContact O-N 3.08Å; S127-L131 PolarHBondContact O-N 3.13Å; S127-S152 PolarHBondContact N-OG 3.26Å
128D91.3Very high92Very high85 Ų8535.7 Ų35.746%0.45521%0.211SC..Hα-helixtrans-60.9-30.4172.6-68-42.3000111.3R87 D130 L131 N132R87-D128 IonicContact CZ-OD1 3.93Å; R87-D128 IonicContact NH1-OD1 3.01Å; R87-D128 PolarHBondContact NH1-OD1 3.08Å; R87-D128 IonicContact NH2-OD1 3.17Å; R87-D128 PolarHBondContact NH2-OD1 2.76Å; R87-D128 IonicContact NH2-OD2 2.72Å; R87-D128 PolarHBondContact NH2-OD2 2.81Å; D128-D130 VanDerWaalsContact C-N 3.32Å; D128-D130 PolarHBondContact O-N 3Å; D128-L131 PolarHBondContact O-N 3.23Å; D128-N132 WeakPolarHBondContact O-CB 3.36Å; D128-N132 PolarHBondContact O-N 3.49Å; D128-N132 PolarHBondContact O-ND2 2.79Å
129A92.4Very high91.8Very high63 Ų6341.2 Ų41.252%0.52124%0.237SC..Hα-helixtrans-64.5-36.4175.400000112.3S127 Y133S127-A129 PolarHBondContact O-N 2.82Å; S127-A129 WeakPolarHBondContact OG-CB 3.24Å; S127-A129 PolarHBondContact OG-N 2.84Å; A129-Y133 VanDerWaalsContact O-CB 3.25Å; A129-Y133 WeakPolarHBondContact O-CB 3.24Å; A129-Y133 PolarHBondContact O-N 2.75Å
130D92.8Very high91.6Very high5 Ų544.5 Ų44.53%0.02726%0.261CS..Hα-helixtrans-69.5-43.2176.7-7519.8000111S127 D128 Y133 L134 L150 T151 S152S127-D130 WeakPolarHBondContact O-CB 3.43Å; S127-D130 PolarHBondContact O-N 2.93Å; S127-D130 VanDerWaalsContact O-N 3.08Å; D128-D130 VanDerWaalsContact C-N 3.32Å; D128-D130 PolarHBondContact O-N 3Å; D130-Y133 PolarHBondContact O-N 2.65Å; D130-L134 WeakPolarHBondContact O-CG 3.46Å; D130-L134 PolarHBondContact O-N 2.89Å; D130-L150 HydrophobicContact CB-CD2 3.9Å; D130-T151 VanDerWaalsContact CG-N 3.3Å; D130-T151 PolarHBondContact OD1-N 2.79Å; D130-T151 PolarHBondContact OD1-OG1 3.32Å; D130-T151 PolarHBondContact OD2-N 3.44Å; D130-S152 VanDerWaalsContact OD2-CB 3.27Å; D130-S152 WeakPolarHBondContact OD2-CB 3.34Å; D130-S152 PolarHBondContact OD2-N 3.21Å; D130-S152 PolarHBondContact OD2-OG 2.81Å
131L94.2Very high91.1Very high9 Ų943.2 Ų43.25%0.04726%0.261CS..Hα-helixtrans-61.4-46.7177.4-66.2179.6000111.5K80 L83 Q84 V126 S127 D128 Y133 L134 E135K80-L131 HydrophobicContact CG-CD2 4.05Å; L83-L131 HydrophobicContact CB-CD2 3.96Å; Q84-L131 HydrophobicContact CG-CD1 4.04Å; Q84-L131 HydrophobicContact CG-CD2 3.73Å; V126-L131 HydrophobicContact CG1-CD1 4.08Å; V126-L131 HydrophobicContact CG1-CD2 3.74Å; V126-L131 HydrophobicContact CG1-CG 3.73Å; S127-L131 PolarHBondContact O-N 3.13Å; D128-L131 PolarHBondContact O-N 3.23Å; L131-Y133 VanDerWaalsContact C-N 3.3Å; L131-Y133 PolarHBondContact O-N 3.17Å; L131-L134 PolarHBondContact O-N 3.38Å; L131-E135 WeakPolarHBondContact O-CB 3.48Å; L131-E135 PolarHBondContact O-N 2.81Å
132N95.1Very high90.8Very high99 Ų9945.3 Ų45.353%0.52928%0.275SS..Hα-helixtrans-64.6-36.4177.2-67.1-19000111.5D128 S136D128-N132 WeakPolarHBondContact O-CB 3.36Å; D128-N132 PolarHBondContact O-N 3.49Å; D128-N132 PolarHBondContact O-ND2 2.79Å; N132-S136 PolarHBondContact O-N 2.85Å
133Y94.6Very high90.6Very high26 Ų2646.6 Ų46.610%0.10228%0.279CS..Hα-helixtrans-67.4-47.6177.5-176.9-125.4000111.5A129 D130 L131 E135 S136 I137 D146 R149 L150A129-Y133 VanDerWaalsContact O-CB 3.25Å; A129-Y133 WeakPolarHBondContact O-CB 3.24Å; A129-Y133 PolarHBondContact O-N 2.75Å; D130-Y133 PolarHBondContact O-N 2.65Å; L131-Y133 VanDerWaalsContact C-N 3.3Å; L131-Y133 PolarHBondContact O-N 3.17Å; Y133-E135 VanDerWaalsContact C-N 3.29Å; Y133-E135 PolarHBondContact O-N 3.13Å; Y133-S136 PolarHBondContact O-N 2.94Å; Y133-S136 VanDerWaalsContact O-N 3.16Å; Y133-S136 PolarHBondContact O-OG 2.91Å; Y133-I137 HydrophobicContact CD1-CD1 4.12Å; Y133-I137 HydrophobicContact CE1-CD1 3.72Å; Y133-I137 HydrophobicContact CE2-CD1 4.19Å; Y133-I137 HydrophobicContact CE2-CG1 4.29Å; Y133-I137 WeakPolarHBondContact O-CG1 3.25Å; Y133-I137 PolarHBondContact O-N 2.81Å; Y133-I137 VanDerWaalsContact O-N 3.12Å; Y133-D146 WeakPolarHBondContact CE1-O 3.45Å; Y133-D146 PolarHBondContact OH-N 2.76Å; Y133-D146 PolarHBondContact OH-O 2.83Å; Y133-R149 HydrophobicContact CD1-CB 4.09Å; Y133-R149 HydrophobicContact CE1-CB 3.86Å; Y133-R149 HydrophobicContact CE1-CG 4.44Å; Y133-R149 VanDerWaalsContact CE2-NH1 3.29Å; Y133-L150 HydrophobicContact CD1-CD2 3.84Å
134L94.5Very high90.5Very high0 Ų051.6 Ų51.60%031%0.305CS..Hα-helixtrans-62-37.5176.5-68.9169.8000112.3F62 A76 L79 K80 L83 D130 L131 I137 A138 L150F62-L134 HydrophobicContact CE2-CD2 4.48Å; F62-L134 HydrophobicContact CZ-CD2 4.27Å; A76-L134 HydrophobicContact CB-CD2 4.15Å; L79-L134 HydrophobicContact CB-CD1 4.4Å; L79-L134 HydrophobicContact CD2-CD1 4.18Å; L79-L134 HydrophobicContact CD2-CD2 4.03Å; L79-L134 HydrophobicContact CG-CD1 3.99Å; K80-L134 HydrophobicContact CB-CB 3.88Å; K80-L134 HydrophobicContact CB-CD1 4.19Å; K80-L134 HydrophobicContact CG-CB 4.4Å; L83-L134 HydrophobicContact CD1-CD1 3.67Å; D130-L134 WeakPolarHBondContact O-CG 3.46Å; D130-L134 PolarHBondContact O-N 2.89Å; L131-L134 PolarHBondContact O-N 3.38Å; L134-I137 PolarHBondContact O-N 2.85Å; L134-A138 PolarHBondContact O-N 3.29Å; L134-L150 HydrophobicContact CD1-CD1 4.47Å; L134-L150 HydrophobicContact CD1-CD2 4.44Å; L134-L150 HydrophobicContact CD2-CD1 4.08Å; L134-L150 HydrophobicContact CD2-CD2 4.26Å; L134-L150 HydrophobicContact CG-CD2 4.08Å
135E95.4Very high90.7Very high74 Ų7452.3 Ų52.335%0.34631%0.309SS..Hα-helixtrans-61.4-46.7172.2-177.1159.3-133.700112K80 L131 Y133 I137 A138 D139K80-E135 HydrophobicContact CD-CB 4.05Å; K80-E135 IonicContact NZ-OE1 3.99Å; K80-E135 PolarHBondContact NZ-OE1 2.91Å; K80-E135 IonicContact NZ-OE2 2.89Å; K80-E135 PolarHBondContact NZ-OE2 2.92Å; K80-E135 VanDerWaalsContact NZ-OE2 3.09Å; L131-E135 WeakPolarHBondContact O-CB 3.48Å; L131-E135 PolarHBondContact O-N 2.81Å; Y133-E135 VanDerWaalsContact C-N 3.29Å; Y133-E135 PolarHBondContact O-N 3.13Å; E135-I137 PolarHBondContact O-N 2.83Å; E135-A138 WeakPolarHBondContact O-CB 3.34Å; E135-A138 PolarHBondContact O-N 2.93Å; E135-A138 VanDerWaalsContact O-N 3.07Å; E135-D139 PolarHBondContact O-N 2.8Å
136S94.3Very high91Very high57 Ų5751.6 Ų51.640%0.39931%0.31SS..Hα-helixtrans-60.9-31.8178.275.60000113.3N132 Y133 S140N132-S136 PolarHBondContact O-N 2.85Å; Y133-S136 PolarHBondContact O-N 2.94Å; Y133-S136 VanDerWaalsContact O-N 3.16Å; Y133-S136 PolarHBondContact O-OG 2.91Å; S136-S140 WeakPolarHBondContact O-CB 3.2Å; S136-S140 PolarHBondContact O-N 2.84Å; S136-S140 PolarHBondContact O-OG 2.9Å
137I94.2Very high90.8Very high4 Ų453 Ų532%0.02132%0.315CS..Hα-helixtrans-70-46.8174.5-65.2170000110.2F62 V72 A76 Y133 L134 E135 D139 S140 G141 V145F62-I137 HydrophobicContact CE2-CD1 4.36Å; F62-I137 HydrophobicContact CZ-CD1 4.03Å; V72-I137 HydrophobicContact CG1-CG2 3.63Å; A76-I137 HydrophobicContact CB-CB 3.97Å; A76-I137 HydrophobicContact CB-CG2 3.62Å; Y133-I137 HydrophobicContact CD1-CD1 4.12Å; Y133-I137 HydrophobicContact CE1-CD1 3.72Å; Y133-I137 HydrophobicContact CE2-CD1 4.19Å; Y133-I137 HydrophobicContact CE2-CG1 4.29Å; Y133-I137 WeakPolarHBondContact O-CG1 3.25Å; Y133-I137 PolarHBondContact O-N 2.81Å; Y133-I137 VanDerWaalsContact O-N 3.12Å; L134-I137 PolarHBondContact O-N 2.85Å; E135-I137 PolarHBondContact O-N 2.83Å; I137-D139 VanDerWaalsContact C-N 3.31Å; I137-D139 PolarHBondContact O-N 2.88Å; I137-S140 PolarHBondContact O-OG 2.91Å; I137-G141 PolarHBondContact O-N 2.75Å; I137-V145 HydrophobicContact CB-CG1 4.34Å; I137-V145 HydrophobicContact CD1-CB 3.86Å; I137-V145 HydrophobicContact CD1-CG1 3.79Å; I137-V145 HydrophobicContact CD1-CG2 4.23Å; I137-V145 HydrophobicContact CG1-CB 4.26Å; I137-V145 HydrophobicContact CG1-CG1 3.66Å; I137-V145 HydrophobicContact CG2-CG1 3.82Å
138A93.1Very high90.7Very high30 Ų3056.3 Ų56.325%0.24833%0.33CS..Hα-helixtrans-59.9-41.6178.800000112A77 L134 E135A77-A138 HydrophobicContact CB-CB 4.04Å; L134-A138 PolarHBondContact O-N 3.29Å; E135-A138 WeakPolarHBondContact O-CB 3.34Å; E135-A138 PolarHBondContact O-N 2.93Å; E135-A138 VanDerWaalsContact O-N 3.07Å
139D94Very high90.5Very high129 Ų12959.3 Ų59.369%0.6934%0.335SS*.Hα-helixtrans-79.8-37.7-176.5-69.1-15.6000113.5E135 I137 G141E135-D139 PolarHBondContact O-N 2.8Å; I137-D139 VanDerWaalsContact C-N 3.31Å; I137-D139 PolarHBondContact O-N 2.88Å; D139-G141 VanDerWaalsContact C-N 3.32Å; D139-G141 PolarHBondContact O-N 3.08Å
140S90.8Very high90.2Very high81 Ų8156.9 Ų56.957%0.56631%0.313SS*.Hα-helixtrans-75-21.6-177.662.70000113.6S136 I137 S142S136-S140 WeakPolarHBondContact O-CB 3.2Å; S136-S140 PolarHBondContact O-N 2.84Å; S136-S140 PolarHBondContact O-OG 2.9Å; I137-S140 PolarHBondContact O-OG 2.91Å; S140-S142 PolarHBondContact O-N 2.91Å; S140-S142 PolarHBondContact OG-N 2.9Å
141G84Confident89.9Confident38 Ų3860.1 Ų60.139%0.39233%0.333SS..  trans71.66.6-172.800000114.2I137 D139 Q143I137-G141 PolarHBondContact O-N 2.75Å; D139-G141 VanDerWaalsContact C-N 3.32Å; D139-G141 PolarHBondContact O-N 3.08Å; G141-Q143 PolarHBondContact O-N 2.92Å; G141-Q143 PolarHBondContact O-NE2 2.79Å
142S85.2Confident89.5Confident46 Ų4660 Ų6032%0.32233%0.333SS..  trans-59.7136.4-178.9-170.50000111.3S140 D144S140-S142 PolarHBondContact O-N 2.91Å; S140-S142 PolarHBondContact OG-N 2.9Å; S142-D144 PolarHBondContact OG-N 2.95Å; S142-D144 PolarHBondContact OG-O 3Å
143Q85.6Confident88.7Confident64 Ų6457 Ų5730%0.29932%0.316SS..SBendtrans-97.4-14.6170.4-54.7-58.4-46.500112.3H69 G141H69-Q143 HydrophobicContact CB-CB 4.39Å; G141-Q143 PolarHBondContact O-N 2.92Å; G141-Q143 PolarHBondContact O-NE2 2.79Å
144D84.7Confident88.2Confident129 Ų12956.7 Ų56.769%0.6932%0.318SS*.  trans-101.5111.1177.2-172.414.5000109.1S142S142-D144 PolarHBondContact OG-N 2.95Å; S142-D144 PolarHBondContact OG-O 3Å
145V89.8Confident87.7Confident17 Ų1757.2 Ų57.210%0.10332%0.321CS..  trans-145.5147.6-172.6-55.60000110.5F62 V66 V72 I137 K147F62-V145 HydrophobicContact CE2-CG2 4.34Å; F62-V145 HydrophobicContact CZ-CG2 3.95Å; V66-V145 HydrophobicContact CB-CG2 4.29Å; V66-V145 HydrophobicContact CG1-CG2 3.96Å; V66-V145 HydrophobicContact CG2-CG2 3.34Å; V72-V145 HydrophobicContact CG1-CG1 3.97Å; V72-V145 HydrophobicContact CG1-CG2 3.77Å; I137-V145 HydrophobicContact CB-CG1 4.34Å; I137-V145 HydrophobicContact CD1-CB 3.86Å; I137-V145 HydrophobicContact CD1-CG1 3.79Å; I137-V145 HydrophobicContact CD1-CG2 4.23Å; I137-V145 HydrophobicContact CG1-CB 4.26Å; I137-V145 HydrophobicContact CG1-CG1 3.66Å; I137-V145 HydrophobicContact CG2-CG1 3.82Å; V145-K147 PolarHBondContact O-N 2.89Å
146D89Confident87.4Confident76 Ų7655 Ų5541%0.40632%0.315SS..  trans-94.694.5176.1-178.910.7000110.8Y133 N148 R149Y133-D146 WeakPolarHBondContact CE1-O 3.45Å; Y133-D146 PolarHBondContact OH-N 2.76Å; Y133-D146 PolarHBondContact OH-O 2.83Å; D146-N148 PolarHBondContact O-N 2.88Å; D146-N148 VanDerWaalsContact O-N 3.14Å; D146-N148 VanDerWaalsContact OD1-CB 3.25Å; D146-N148 WeakPolarHBondContact OD1-CB 3.27Å; D146-N148 PolarHBondContact OD1-N 2.87Å; D146-N148 PolarHBondContact OD1-ND2 2.95Å; D146-R149 HydrophobicContact CB-CG 4Å; D146-R149 WeakPolarHBondContact O-CB 3.36Å; D146-R149 PolarHBondContact O-N 3.08Å; D146-R149 WeakPolarHBondContact OD2-CG 3.29Å
147K84.5Confident87.2Confident41 Ų4152.5 Ų52.518%0.17830%0.297CS..G310 helixtrans-59.8-19.2175.465.4-173.9179.9-173.20113.8W59 F62 D63 V66 D67 V145 R149W59-K147 HydrophobicContact CH2-CB 4.02Å; F62-K147 HydrophobicContact CE1-CB 3.96Å; D63-K147 WeakPolarHBondContact OD1-CD 3.42Å; D63-K147 WeakPolarHBondContact OD1-CE 3.33Å; D63-K147 IonicContact OD1-NZ 2.81Å; D63-K147 PolarHBondContact OD1-NZ 2.84Å; V66-K147 HydrophobicContact CG1-CD 4.34Å; D67-K147 IonicContact OD1-NZ 3.34Å; D67-K147 PolarHBondContact OD1-NZ 2.91Å; D67-K147 IonicContact OD2-NZ 2.9Å; D67-K147 PolarHBondContact OD2-NZ 2.8Å; V145-K147 PolarHBondContact O-N 2.89Å; K147-R149 PolarHBondContact O-N 2.81Å
148N85.1Confident87.2Confident109 Ų10953.2 Ų53.258%0.58330%0.303SS*.G310 helixtrans-75.4-13.1179.7-63.8-56.7000113.8D146 L150D146-N148 PolarHBondContact O-N 2.88Å; D146-N148 VanDerWaalsContact O-N 3.14Å; D146-N148 VanDerWaalsContact OD1-CB 3.25Å; D146-N148 WeakPolarHBondContact OD1-CB 3.27Å; D146-N148 PolarHBondContact OD1-N 2.87Å; D146-N148 PolarHBondContact OD1-ND2 2.95Å; N148-L150 PolarHBondContact O-N 3.49Å
149R86.4Confident87.3Confident148 Ų14851.8 Ų51.856%0.55829%0.292SS*.G310 helixtrans-68-18.4176-67.2-178.763.3-178.8-2.5113.9Y133 D146 K147Y133-R149 HydrophobicContact CD1-CB 4.09Å; Y133-R149 HydrophobicContact CE1-CB 3.86Å; Y133-R149 HydrophobicContact CE1-CG 4.44Å; Y133-R149 VanDerWaalsContact CE2-NH1 3.29Å; D146-R149 HydrophobicContact CB-CG 4Å; D146-R149 WeakPolarHBondContact O-CB 3.36Å; D146-R149 PolarHBondContact O-N 3.08Å; D146-R149 WeakPolarHBondContact OD2-CG 3.29Å; K147-R149 PolarHBondContact O-N 2.81Å
150L87.1Confident87.5Confident12 Ų1248.8 Ų48.86%0.06328%0.275CS..  trans-73.5128.8178.5-58.7-171000111.2W59 F62 L79 D130 Y133 L134 N148W59-L150 HydrophobicContact CE3-CD1 4.1Å; W59-L150 HydrophobicContact CH2-CD1 4.46Å; W59-L150 HydrophobicContact CZ3-CD1 3.49Å; W59-L150 VanDerWaalsContact CZ3-CD1 3.49Å; W59-L150 HydrophobicContact CZ3-CG 4.39Å; F62-L150 HydrophobicContact CE1-CD1 4.47Å; L79-L150 HydrophobicContact CD2-CD1 3.93Å; D130-L150 HydrophobicContact CB-CD2 3.9Å; Y133-L150 HydrophobicContact CD1-CD2 3.84Å; L134-L150 HydrophobicContact CD1-CD1 4.47Å; L134-L150 HydrophobicContact CD1-CD2 4.44Å; L134-L150 HydrophobicContact CD2-CD1 4.08Å; L134-L150 HydrophobicContact CD2-CD2 4.26Å; L134-L150 HydrophobicContact CG-CD2 4.08Å; N148-L150 PolarHBondContact O-N 3.49Å
151T86.1Confident87.8Confident73 Ų7345.8 Ų45.845%0.44825%0.253SS..  trans-124.7-0.3-171.356.20000114.2D130 Q153 L198D130-T151 VanDerWaalsContact CG-N 3.3Å; D130-T151 PolarHBondContact OD1-N 2.79Å; D130-T151 PolarHBondContact OD1-OG1 3.32Å; D130-T151 PolarHBondContact OD2-N 3.44Å; T151-Q153 WeakPolarHBondContact O-CG 3.34Å; T151-L198 WeakPolarHBondContact O-CD2 3.48Å
152S85.7Confident88.5Confident7 Ų745.5 Ų45.55%0.04924%0.243CC..  trans-59.4141.5-179.3-63.90000111.6S127 D130 I199S127-S152 PolarHBondContact N-OG 3.26Å; D130-S152 VanDerWaalsContact OD2-CB 3.27Å; D130-S152 WeakPolarHBondContact OD2-CB 3.34Å; D130-S152 PolarHBondContact OD2-N 3.21Å; D130-S152 PolarHBondContact OD2-OG 2.81Å; S152-I199 WeakPolarHBondContact O-CG1 3.37Å; S152-I199 PolarHBondContact O-N 2.84Å
153Q79.7Confident89.1Confident36 Ų3643.7 Ų43.717%0.16823%0.23CC..EExtended strand (participates in β ladder)trans-130.7145.4-167.3-77.8174.4-3.300111.7K125 T151 F155 T197 L198K125-Q153 PolarHBondContact N-O 2.81Å; K125-Q153 PolarHBondContact O-N 2.77Å; T151-Q153 WeakPolarHBondContact O-CG 3.34Å; Q153-F155 HydrophobicContact CB-CD2 4.17Å; Q153-F155 HydrophobicContact CB-CE2 3.42Å; Q153-F155 VanDerWaalsContact CB-CE2 3.42Å; Q153-F155 HydrophobicContact CB-CZ 3.77Å; Q153-T197 VanDerWaalsContact CA-O 3.24Å; Q153-T197 WeakPolarHBondContact CA-O 3.1Å; Q153-T197 WeakPolarHBondContact CB-O 3.33Å; Q153-L198 HydrophobicContact CG-CD2 3.82Å; Q153-L198 HydrophobicContact CG-CG 4.5Å
154A82.6Confident89.8Confident19 Ų1943.8 Ų43.816%0.15724%0.235CC..EExtended strand (participates in β ladder)trans-96.6128.1163.200000108.4F86 T197F86-A154 HydrophobicContact CZ-CB 4.3Å; A154-T197 HydrophobicContact CB-CG2 4.35Å; A154-T197 PolarHBondContact N-O 2.83Å; A154-T197 PolarHBondContact O-N 2.87Å; A154-T197 VanDerWaalsContact O-N 3.13Å
155F84.8Confident90.4Very high12 Ų1237.8 Ų37.85%0.05320%0.203CC..EExtended strand (participates in β ladder)trans-105.8115.6179.7-66.8-97.1000108.1V122 D123 K125 Q153 N196 V255V122-F155 CarbonylContact C-O 3.54Å; V122-F155 VanDerWaalsContact CA-O 3.26Å; V122-F155 WeakPolarHBondContact CA-O 3.4Å; D123-F155 HydrophobicContact CB-CB 4.49Å; D123-F155 PolarHBondContact N-O 2.94Å; D123-F155 PolarHBondContact O-N 3.17Å; K125-F155 HydrophobicContact CB-CD2 3.88Å; K125-F155 HydrophobicContact CB-CE2 3.6Å; K125-F155 HydrophobicContact CD-CD2 3.66Å; K125-F155 HydrophobicContact CD-CE2 3.57Å; K125-F155 HydrophobicContact CD-CG 4.26Å; K125-F155 HydrophobicContact CD-CZ 4.07Å; K125-F155 HydrophobicContact CG-CD2 3.64Å; K125-F155 HydrophobicContact CG-CE2 3.76Å; Q153-F155 HydrophobicContact CB-CD2 4.17Å; Q153-F155 HydrophobicContact CB-CE2 3.42Å; Q153-F155 VanDerWaalsContact CB-CE2 3.42Å; Q153-F155 HydrophobicContact CB-CZ 3.77Å; F155-N196 HydrophobicContact CD1-CB 4.23Å; F155-N196 VanDerWaalsContact CD1-CG 3.44Å; F155-N196 WeakPolarHBondContact CD1-OD1 3.39Å; F155-N196 HydrophobicContact CE1-CB 4.19Å; F155-V255 HydrophobicContact CD1-CG1 4.34Å; F155-V255 HydrophobicContact CE1-CB 4.28Å; F155-V255 HydrophobicContact CE1-CG1 3.98Å; F155-V255 HydrophobicContact CE1-CG2 4.01Å
156A88Confident90.9Very high26 Ų2640.2 Ų40.222%0.21522%0.218CC..EExtended strand (participates in β ladder)trans-116128.4171.500000109S121 V122 Y195S121-A156 WeakPolarHBondContact O-CA 3.3Å; V122-A156 HydrophobicContact CG2-CB 4.12Å; A156-Y195 HydrophobicContact CB-CD1 4.29Å; A156-Y195 PolarHBondContact N-O 2.78Å; A156-Y195 CarbonylContact O-C 3.55Å; A156-Y195 WeakPolarHBondContact O-CA 3.29Å; A156-Y195 PolarHBondContact O-N 2.97Å; A156-Y195 VanDerWaalsContact O-O 3.09Å
157R90.9Very high91.3Very high5 Ų536.6 Ų36.62%0.01920%0.199CC..EExtended strand (participates in β ladder)trans-130.7146.7177.158.4-177.1172.4-86.9-4.1110V120 S121 D123 F193 F290 D293V120-R157 CarbonylContact C-O 3.47Å; V120-R157 WeakPolarHBondContact CA-O 3.22Å; S121-R157 PolarHBondContact N-O 3.32Å; S121-R157 PolarHBondContact O-N 3.02Å; D123-R157 IonicContact OD1-NH2 2.84Å; D123-R157 IonicContact OD2-CZ 3.45Å; D123-R157 IonicContact OD2-NH1 3.41Å; D123-R157 PolarHBondContact OD2-NH1 2.74Å; D123-R157 IonicContact OD2-NH2 2.9Å; D123-R157 PolarHBondContact OD2-NH2 2.76Å; R157-F193 CarbonylContact C-O 3.52Å; R157-F193 VanDerWaalsContact CA-O 3.28Å; R157-F193 WeakPolarHBondContact CA-O 3.3Å; R157-F290 HydrophobicContact CB-CE1 4.2Å; R157-F290 HydrophobicContact CB-CE2 3.97Å; R157-F290 HydrophobicContact CB-CZ 3.77Å; R157-F290 VanDerWaalsContact CD-CD2 3.45Å; R157-F290 VanDerWaalsContact CD-CG 3.41Å; R157-F290 HydrophobicContact CG-CD2 3.81Å; R157-F290 HydrophobicContact CG-CE1 4.38Å; R157-F290 HydrophobicContact CG-CE2 3.64Å; R157-F290 HydrophobicContact CG-CG 4.26Å; R157-F290 HydrophobicContact CG-CZ 3.95Å; R157-D293 IonicContact CZ-OD1 2.92Å; R157-D293 IonicContact NE-OD1 2.76Å; R157-D293 IonicContact NE-OD2 3.43Å; R157-D293 IonicContact NH2-OD1 3.47Å; R157-D293 PolarHBondContact NH2-OD1 3.44Å
158A93.7Very high92Very high19 Ų1937.8 Ų37.816%0.15721%0.207CC..EExtended strand (participates in β ladder)trans-138.9149.5175.100000111.5T119 V120 L192 F193T119-A158 CarbonylContact O-C 3.58Å; T119-A158 WeakPolarHBondContact O-CA 3.28Å; T119-A158 WeakPolarHBondContact O-CB 3.4Å; V120-A158 HydrophobicContact CB-CB 4.47Å; V120-A158 HydrophobicContact CG2-CB 3.91Å; A158-L192 CarbonylContact O-C 3.53Å; A158-L192 WeakPolarHBondContact O-CA 3.28Å; A158-F193 HydrophobicContact CB-CB 4.09Å; A158-F193 HydrophobicContact CB-CD2 4.13Å; A158-F193 HydrophobicContact CB-CG 4.48Å; A158-F193 PolarHBondContact N-O 3.1Å; A158-F193 PolarHBondContact O-N 3.21Å
159A96.5Very high92.6Very high1 Ų132.7 Ų32.71%0.00818%0.18CC..EExtended strand (participates in β ladder)trans-131.8130.9170.400000109.1G118 T119 I161 D191 L192 F259 F290G118-A159 CarbonylContact C-O 3.51Å; G118-A159 VanDerWaalsContact CA-O 3.31Å; G118-A159 WeakPolarHBondContact CA-O 3.47Å; T119-A159 HydrophobicContact CG2-CB 3.86Å; T119-A159 PolarHBondContact N-O 3.47Å; T119-A159 PolarHBondContact O-N 2.85Å; A159-I161 HydrophobicContact CB-CD1 3.99Å; A159-D191 CarbonylContact C-O 3.55Å; A159-D191 WeakPolarHBondContact CA-O 3.02Å; A159-L192 HydrophobicContact CB-CD2 3.47Å; A159-L192 VanDerWaalsContact CB-CD2 3.47Å; A159-F259 HydrophobicContact CB-CD2 3.48Å; A159-F259 VanDerWaalsContact CB-CD2 3.48Å; A159-F259 HydrophobicContact CB-CE2 3.39Å; A159-F259 HydrophobicContact CB-CG 4.09Å; A159-F259 HydrophobicContact CB-CZ 3.96Å; A159-F290 HydrophobicContact CB-CE2 4.16Å; A159-F290 HydrophobicContact CB-CZ 4.09Å
160L97Very high93.2Very high65 Ų6527.8 Ų27.834%0.3417%0.166SC..EExtended strand (participates in β ladder)trans-115.6116.5172.6-174.672000107.9T116 V190 D191T116-L160 HydrophobicContact CG2-CD1 3.44Å; T116-L160 VanDerWaalsContact CG2-CD1 3.44Å; T116-L160 HydrophobicContact CG2-CG 4Å; L160-V190 WeakPolarHBondContact O-CA 3.25Å; L160-D191 HydrophobicContact CB-CB 4.25Å; L160-D191 PolarHBondContact N-O 3.4Å; L160-D191 PolarHBondContact O-N 3.34Å
161I97.9Very high93.6Very high19 Ų1930.4 Ų30.410%0.09718%0.178CC..EExtended strand (participates in β ladder)trans-111.6120.1-177.8-56.387.7000107.8T116 L117 A159 Q188 R189 V190 F259T116-I161 CarbonylContact C-O 3.58Å; T116-I161 WeakPolarHBondContact CA-O 3.3Å; L117-I161 PolarHBondContact N-O 2.93Å; L117-I161 WeakPolarHBondContact O-CD1 3.39Å; L117-I161 PolarHBondContact O-N 2.9Å; A159-I161 HydrophobicContact CB-CD1 3.99Å; I161-Q188 HydrophobicContact CG2-CG 3.83Å; I161-R189 CarbonylContact C-O 3.53Å; I161-R189 WeakPolarHBondContact CA-O 3.28Å; I161-V190 HydrophobicContact CG1-CG1 4.38Å; I161-V190 HydrophobicContact CG1-CG2 4.28Å; I161-V190 HydrophobicContact CG2-CG2 4.34Å; I161-F259 HydrophobicContact CD1-CE1 4.08Å; I161-F259 HydrophobicContact CD1-CZ 3.77Å; I161-F259 HydrophobicContact CG1-CE1 4.26Å; I161-F259 HydrophobicContact CG1-CZ 4.45Å
162T98.5Very high94Very high32 Ų3230 Ų3020%0.19617%0.173CC..EExtended strand (participates in β ladder)trans-115.4115175.2-62.20000109.8L114 K115 T116 Q188 R189L114-T162 HydrophobicContact CD1-CG2 3.93Å; K115-T162 CarbonylContact O-C 3.52Å; K115-T162 WeakPolarHBondContact O-CA 3.27Å; T116-T162 WeakPolarHBondContact OG1-CG2 3.38Å; T116-T162 PolarHBondContact OG1-OG1 3.18Å; T116-T162 VanDerWaalsContact OG1-OG1 3.04Å; T162-Q188 WeakPolarHBondContact O-CA 3.4Å; T162-R189 PolarHBondContact N-O 2.92Å; T162-R189 PolarHBondContact O-N 2.9Å
163D98.5Very high94.3Very high8 Ų836.1 Ų36.14%0.04320%0.2CC..EExtended strand (participates in β ladder)trans-101.3130.3175.2-72.9-6.3000109.8L114 K115 K186 F187 Q188L114-D163 WeakPolarHBondContact CA-O 3.33Å; K115-D163 HydrophobicContact CB-CB 4.36Å; K115-D163 PolarHBondContact N-O 2.87Å; K115-D163 PolarHBondContact O-N 2.81Å; D163-K186 HydrophobicContact CB-CD 4.2Å; D163-K186 WeakPolarHBondContact OD2-CE 3.33Å; D163-K186 IonicContact OD2-NZ 3.83Å; D163-K186 PolarHBondContact OD2-NZ 2.87Å; D163-F187 CarbonylContact C-O 3.59Å; D163-F187 WeakPolarHBondContact CA-O 3.35Å; D163-Q188 WeakPolarHBondContact OD1-CB 3.45Å; D163-Q188 WeakPolarHBondContact OD1-CG 3.48Å; D163-Q188 PolarHBondContact OD1-NE2 3.2Å
164V98.8Very high94.8Very high66 Ų6638.3 Ų38.340%0.422%0.216SC..EExtended strand (participates in β ladder)trans-122.3115.2167-176.10000107.3M113 L114 K186 F187M113-V164 WeakPolarHBondContact O-CA 3.48Å; L114-V164 HydrophobicContact CD1-CG2 3.82Å; V164-K186 CarbonylContact O-C 3.58Å; V164-K186 VanDerWaalsContact O-CA 3.27Å; V164-K186 WeakPolarHBondContact O-CA 3.34Å; V164-K186 WeakPolarHBondContact O-CB 3.22Å; V164-F187 PolarHBondContact N-O 2.92Å; V164-F187 PolarHBondContact O-N 2.82Å
165G98.7Very high95.1Very high2 Ų242.1 Ų42.12%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-137.8156.5-17300000113.6M113 P185M113-G165 WeakPolarHBondContact CG-O 3.44Å; M113-G165 PolarHBondContact N-O 2.83Å; M113-G165 PolarHBondContact O-N 2.86Å; G165-P185 VanDerWaalsContact CA-O 3.23Å; G165-P185 WeakPolarHBondContact CA-O 3.25Å
166V98.8Very high95.2Very high69 Ų6944.5 Ų44.542%0.41828%0.276SS..EExtended strand (participates in β ladder)trans-113.2110.6171.6179.80000106.8A111 L112 L168 P185A111-V166 CarbonylContact O-C 3.56Å; A111-V166 WeakPolarHBondContact O-CA 3.5Å; L112-V166 HydrophobicContact CD1-CG2 4.12Å; V166-L168 HydrophobicContact CG1-CD2 4.31Å; V166-L168 HydrophobicContact CG1-CG 4.48Å; V166-P185 PolarHBondContact N-O 3.23Å; V166-P185 VanDerWaalsContact N-O 3.11Å; V166-P185 WeakPolarHBondContact O-CD 3.45Å
167A98.7Very high95.3Very high0 Ų048 Ų480%029%0.288CS..EExtended strand (participates in β ladder)trans-87.8138.617600000109.6P15 P19 L22 A110 A111 T184P15-A167 HydrophobicContact CB-CB 3.9Å; P15-A167 HydrophobicContact CG-CB 3.92Å; P19-A167 HydrophobicContact CB-CB 4.21Å; L22-A167 HydrophobicContact CD1-CB 3.6Å; A110-A167 CarbonylContact C-O 3.52Å; A110-A167 VanDerWaalsContact CA-O 3.25Å; A110-A167 WeakPolarHBondContact CA-O 3.16Å; A111-A167 HydrophobicContact CB-CB 4.37Å; A111-A167 PolarHBondContact N-O 2.81Å; A111-A167 PolarHBondContact O-N 2.87Å; A167-T184 HydrophobicContact CB-CG2 3.93Å; A167-T184 VanDerWaalsContact CB-OG1 3.24Å; A167-T184 WeakPolarHBondContact CB-OG1 3.21Å
168L98.7Very high95.4Very high66 Ų6652 Ų5235%0.34631%0.306SS..EExtended strand (participates in β ladder)trans-130.8136.9177.7-62.1172.9000107.9L108 A109 A110 V166 G182 F183L108-L168 HydrophobicContact CD1-CB 4.27Å; L108-L168 HydrophobicContact CD2-CD2 4.32Å; A109-L168 CarbonylContact O-C 3.6Å; A109-L168 WeakPolarHBondContact O-CA 3.33Å; A110-L168 HydrophobicContact CB-CD2 3.85Å; V166-L168 HydrophobicContact CG1-CD2 4.31Å; V166-L168 HydrophobicContact CG1-CG 4.48Å; L168-G182 CarbonylContact O-C 3.53Å; L168-G182 VanDerWaalsContact O-CA 3.25Å; L168-G182 WeakPolarHBondContact O-CA 3.46Å; L168-F183 PolarHBondContact N-O 2.78Å; L168-F183 PolarHBondContact O-N 2.91Å
169A98.5Very high95.5Very high2 Ų255.1 Ų55.12%0.01731%0.313CS..EExtended strand (participates in β ladder)trans-143.8147.1176.900000113P19 L22 T23 L108 A109 L181P19-A169 WeakPolarHBondContact O-CB 3.48Å; L22-A169 HydrophobicContact CB-CB 3.76Å; L22-A169 HydrophobicContact CD1-CB 4.32Å; T23-A169 HydrophobicContact CG2-CB 3.68Å; L108-A169 WeakPolarHBondContact CA-O 3.24Å; A109-A169 PolarHBondContact N-O 2.91Å; A109-A169 PolarHBondContact O-N 2.86Å; A169-L181 CarbonylContact C-O 3.55Å; A169-L181 WeakPolarHBondContact CA-O 3.39Å; A169-L181 WeakPolarHBondContact CB-O 3.31Å
170T97.8Very high95.6Very high45 Ų4555 Ų5528%0.27631%0.313SS..EExtended strand (participates in β ladder)trans-130.9140.9177.4-174.20000109.6T107 L172 S180 L181T107-T170 PolarHBondContact O-OG1 3.39Å; T170-L172 HydrophobicContact CG2-CD1 4.5Å; T170-L172 HydrophobicContact CG2-CG 4.34Å; T170-S180 VanDerWaalsContact O-CA 3.23Å; T170-S180 WeakPolarHBondContact O-CA 3.22Å; T170-L181 HydrophobicContact CG2-CB 4.46Å; T170-L181 PolarHBondContact N-O 3.02Å; T170-L181 PolarHBondContact O-N 2.96Å
171E96.5Very high95.7Very high67 Ų6755.3 Ų55.331%0.31331%0.314SS..EExtended strand (participates in β ladder)trans-90.3141.6166.8-178.8167.4110.600108.5T23 K178T23-E171 HydrophobicContact CG2-CB 4.36Å; E171-K178 WeakPolarHBondContact OE1-CD 3.28Å; E171-K178 IonicContact OE1-NZ 3.64Å; E171-K178 PolarHBondContact OE1-NZ 2.78Å
172L94.3Very high95.7Very high65 Ų6554.5 Ų54.534%0.3431%0.311SS..EExtended strand (participates in β ladder)trans-132.6144.5176.9-62.8171.5000108.2T170 W179 L181T170-L172 HydrophobicContact CG2-CD1 4.5Å; T170-L172 HydrophobicContact CG2-CG 4.34Å; L172-W179 HydrophobicContact CB-CD2 4.12Å; L172-W179 HydrophobicContact CB-CH2 4.43Å; L172-W179 HydrophobicContact CB-CZ2 3.81Å; L172-W179 HydrophobicContact CD1-CE3 4.35Å; L172-W179 HydrophobicContact CD1-CH2 3.3Å; L172-W179 HydrophobicContact CD1-CZ2 3.45Å; L172-W179 VanDerWaalsContact CD1-CZ2 3.45Å; L172-W179 HydrophobicContact CD1-CZ3 3.81Å; L172-W179 HydrophobicContact CG-CH2 4.48Å; L172-W179 HydrophobicContact CG-CZ2 4.28Å; L172-W179 PolarHBondContact N-O 2.78Å; L172-W179 PolarHBondContact O-N 2.85Å; L172-W179 VanDerWaalsContact O-O 3.07Å; L172-L181 HydrophobicContact CD1-CD1 4.48Å
173E92.1Very high95.7Very high134 Ų13457.5 Ų57.563%0.62632%0.321SS*.EExtended strand (participates in β ladder)trans-114.9125.9174.1-166.3-179.2145.200109.2Q177 K178E173-Q177 WeakPolarHBondContact CA-O 3.25Å; E173-K178 HydrophobicContact CG-CG 4.47Å
174T90.1Very high95.7Very high82 Ų8257.1 Ų57.150%0.50332%0.319SS..EExtended strand (participates in β ladder)trans-142.3130.7177.2-55.80000109.2G176 Q177 W179T174-G176 PolarHBondContact O-N 3.35Å; T174-Q177 PolarHBondContact N-O 3.3Å; T174-Q177 PolarHBondContact O-N 2.82Å; T174-W179 PolarHBondContact OG1-NE1 2.78Å
175A89Confident95.7Very high100 Ų10056.6 Ų56.683%0.82632%0.317SS*.THydrogen-bonded Turntrans53.433.6-177.600000114.2Q177A175-Q177 VanDerWaalsContact C-N 3.25Å; A175-Q177 PolarHBondContact O-N 2.68Å
176G87.1Confident95.7Very high62 Ų6256.9 Ų56.964%0.63932%0.318SS*.THydrogen-bonded Turntrans74.69.6-178.700000114.7T174T174-G176 PolarHBondContact O-N 3.35Å
177Q89.7Confident95.7Very high99 Ų9958.1 Ų58.146%0.46332%0.318SS..EExtended strand (participates in β ladder)trans-110.4134.7176.5-66.9170.95.700109.9E173 T174 A175 M227E173-Q177 WeakPolarHBondContact CA-O 3.25Å; T174-Q177 PolarHBondContact N-O 3.3Å; T174-Q177 PolarHBondContact O-N 2.82Å; A175-Q177 VanDerWaalsContact C-N 3.25Å; A175-Q177 PolarHBondContact O-N 2.68Å; Q177-M227 HydrophobicContact CB-CE 3.95Å; Q177-M227 VanDerWaalsContact CD-CE 3.47Å; Q177-M227 HydrophobicContact CG-CE 4.04Å
178K93.2Very high95.7Very high90 Ų9058.2 Ų58.239%0.39132%0.319SS..EExtended strand (participates in β ladder)trans-91.8126.1176.7-68.1-176.6165.2-141.30110.2E171 E173 D228E171-K178 WeakPolarHBondContact OE1-CD 3.28Å; E171-K178 IonicContact OE1-NZ 3.64Å; E171-K178 PolarHBondContact OE1-NZ 2.78Å; E173-K178 HydrophobicContact CG-CG 4.47Å; K178-D228 PolarHBondContact O-N 3.15Å; K178-D228 VanDerWaalsContact O-N 3.09Å
179W95.7Very high95.7Very high83 Ų8360.2 Ų60.231%0.31432%0.321SS..EExtended strand (participates in β ladder)trans-138.3144.3176.359.9-76.8000110.1L172 T174 L181 S226 M227L172-W179 HydrophobicContact CB-CD2 4.12Å; L172-W179 HydrophobicContact CB-CH2 4.43Å; L172-W179 HydrophobicContact CB-CZ2 3.81Å; L172-W179 HydrophobicContact CD1-CE3 4.35Å; L172-W179 HydrophobicContact CD1-CH2 3.3Å; L172-W179 HydrophobicContact CD1-CZ2 3.45Å; L172-W179 VanDerWaalsContact CD1-CZ2 3.45Å; L172-W179 HydrophobicContact CD1-CZ3 3.81Å; L172-W179 HydrophobicContact CG-CH2 4.48Å; L172-W179 HydrophobicContact CG-CZ2 4.28Å; L172-W179 PolarHBondContact N-O 2.78Å; L172-W179 PolarHBondContact O-N 2.85Å; L172-W179 VanDerWaalsContact O-O 3.07Å; T174-W179 PolarHBondContact OG1-NE1 2.78Å; W179-L181 HydrophobicContact CE3-CD1 4.42Å; W179-L181 HydrophobicContact CE3-CD2 4.13Å; W179-L181 HydrophobicContact CE3-CG 3.88Å; W179-L181 HydrophobicContact CH2-CD1 4.11Å; W179-L181 HydrophobicContact CH2-CG 4.45Å; W179-L181 HydrophobicContact CZ3-CD1 3.49Å; W179-L181 VanDerWaalsContact CZ3-CD1 3.49Å; W179-L181 HydrophobicContact CZ3-CD2 3.81Å; W179-L181 HydrophobicContact CZ3-CG 3.43Å; W179-L181 VanDerWaalsContact CZ3-CG 3.43Å; W179-S226 CarbonylContact C-O 3.6Å; W179-S226 VanDerWaalsContact CA-O 3.22Å; W179-S226 WeakPolarHBondContact CA-O 3.37Å; W179-M227 HydrophobicContact CB-CB 4.28Å; W179-M227 HydrophobicContact CB-CG 4.34Å
180S97.9Very high95.7Very high0 Ų060.1 Ų60.10%032%0.321CS..EExtended strand (participates in β ladder)trans-116.9143.7-177.3-55.30000110.2A20 T23 T170 A225 S226A20-S180 WeakPolarHBondContact O-CB 3.17Å; T23-S180 WeakPolarHBondContact OG1-CB 3.29Å; T23-S180 PolarHBondContact OG1-OG 2.78Å; T170-S180 VanDerWaalsContact O-CA 3.23Å; T170-S180 WeakPolarHBondContact O-CA 3.22Å; S180-A225 CarbonylContact O-C 3.47Å; S180-A225 VanDerWaalsContact O-CA 3.26Å; S180-A225 WeakPolarHBondContact O-CA 3.39Å; S180-S226 PolarHBondContact N-O 3.02Å; S180-S226 PolarHBondContact O-N 2.8Å
181L98.3Very high95.6Very high70 Ų7058.3 Ų58.337%0.36631%0.309SS..EExtended strand (participates in β ladder)trans-117.2134.6169.8-69.3-179.7000109.4A169 T170 L172 W179 A225A169-L181 CarbonylContact C-O 3.55Å; A169-L181 WeakPolarHBondContact CA-O 3.39Å; A169-L181 WeakPolarHBondContact CB-O 3.31Å; T170-L181 HydrophobicContact CG2-CB 4.46Å; T170-L181 PolarHBondContact N-O 3.02Å; T170-L181 PolarHBondContact O-N 2.96Å; L172-L181 HydrophobicContact CD1-CD1 4.48Å; W179-L181 HydrophobicContact CE3-CD1 4.42Å; W179-L181 HydrophobicContact CE3-CD2 4.13Å; W179-L181 HydrophobicContact CE3-CG 3.88Å; W179-L181 HydrophobicContact CH2-CD1 4.11Å; W179-L181 HydrophobicContact CH2-CG 4.45Å; W179-L181 HydrophobicContact CZ3-CD1 3.49Å; W179-L181 VanDerWaalsContact CZ3-CD1 3.49Å; W179-L181 HydrophobicContact CZ3-CD2 3.81Å; W179-L181 HydrophobicContact CZ3-CG 3.43Å; W179-L181 VanDerWaalsContact CZ3-CG 3.43Å; L181-A225 HydrophobicContact CD2-CB 4.05Å
182G98.7Very high95.5Very high3 Ų355.1 Ų55.13%0.03129%0.294CS..EExtended strand (participates in β ladder)trans-123.9143.1174.800000111.6L168 I223 G224L168-G182 CarbonylContact O-C 3.53Å; L168-G182 VanDerWaalsContact O-CA 3.25Å; L168-G182 WeakPolarHBondContact O-CA 3.46Å; G182-I223 CarbonylContact O-C 3.46Å; G182-I223 WeakPolarHBondContact O-CA 3.43Å; G182-I223 WeakPolarHBondContact O-CG1 3.29Å; G182-G224 PolarHBondContact N-O 3.04Å; G182-G224 PolarHBondContact O-N 3.01Å
183F98.8Very high95.3Very high94 Ų9455.9 Ų55.941%0.41230%0.295SS..EExtended strand (participates in β ladder)trans-139.4134.6174.9179.9-114000110.3L168 P185 A221 D222 I223L168-F183 PolarHBondContact N-O 2.78Å; L168-F183 PolarHBondContact O-N 2.91Å; F183-P185 HydrophobicContact CD1-CG 4.47Å; F183-P185 HydrophobicContact CE1-CB 4.16Å; F183-P185 HydrophobicContact CE1-CG 4.11Å; F183-A221 HydrophobicContact CE2-CB 3.58Å; F183-A221 HydrophobicContact CZ-CB 3.78Å; F183-D222 WeakPolarHBondContact CA-O 3.34Å; F183-D222 VanDerWaalsContact CD2-O 3.28Å; F183-D222 WeakPolarHBondContact CD2-O 3.33Å; F183-I223 HydrophobicContact CD2-CB 4.4Å
184T98.9Very high95.2Very high0 Ų049.6 Ų49.60%027%0.266CS..EExtended strand (participates in β ladder)trans-130.389.7-177.3-50.90000110.3P19 M113 A167 A221 D222P19-T184 VanDerWaalsContact CB-OG1 3.32Å; P19-T184 WeakPolarHBondContact CB-OG1 3.39Å; M113-T184 HydrophobicContact CE-CG2 3.39Å; M113-T184 HydrophobicContact CG-CG2 4.48Å; M113-T184 HydrophobicContact SD-CG2 3.93Å; A167-T184 HydrophobicContact CB-CG2 3.93Å; A167-T184 VanDerWaalsContact CB-OG1 3.24Å; A167-T184 WeakPolarHBondContact CB-OG1 3.21Å; T184-A221 CarbonylContact O-C 3.48Å; T184-A221 VanDerWaalsContact O-CA 3.22Å; T184-A221 WeakPolarHBondContact O-CA 3.17Å; T184-D222 PolarHBondContact N-O 2.79Å; T184-D222 PolarHBondContact O-N 2.9Å
185P98.8Very high94.7Very high56 Ų5647.6 Ų47.636%0.36425%0.249SC..EExtended strand (participates in β ladder)trans-62.113816328.2-36.8000109.8G165 V166 F183G165-P185 VanDerWaalsContact CA-O 3.23Å; G165-P185 WeakPolarHBondContact CA-O 3.25Å; V166-P185 PolarHBondContact N-O 3.23Å; V166-P185 VanDerWaalsContact N-O 3.11Å; V166-P185 WeakPolarHBondContact O-CD 3.45Å; F183-P185 HydrophobicContact CD1-CG 4.47Å; F183-P185 HydrophobicContact CE1-CB 4.16Å; F183-P185 HydrophobicContact CE1-CG 4.11Å
186K98.7Very high94.1Very high7 Ų743 Ų433%0.0321%0.211CC..EExtended strand (participates in β ladder)trans-143.6145-179.762.9-171.6-176.7-178.20113.2M113 D163 V164 I219 N220 D222 N241M113-K186 HydrophobicContact CE-CB 4.25Å; M113-K186 HydrophobicContact CE-CD 3.86Å; D163-K186 HydrophobicContact CB-CD 4.2Å; D163-K186 WeakPolarHBondContact OD2-CE 3.33Å; D163-K186 IonicContact OD2-NZ 3.83Å; D163-K186 PolarHBondContact OD2-NZ 2.87Å; V164-K186 CarbonylContact O-C 3.58Å; V164-K186 VanDerWaalsContact O-CA 3.27Å; V164-K186 WeakPolarHBondContact O-CA 3.34Å; V164-K186 WeakPolarHBondContact O-CB 3.22Å; K186-I219 CarbonylContact O-C 3.57Å; K186-I219 WeakPolarHBondContact O-CA 3.41Å; K186-N220 HydrophobicContact CD-CB 4.5Å; K186-N220 HydrophobicContact CG-CB 3.93Å; K186-N220 PolarHBondContact N-O 2.86Å; K186-N220 PolarHBondContact O-N 3.46Å; K186-N220 VanDerWaalsContact O-O 3.08Å; K186-D222 VanDerWaalsContact CE-OD1 3.24Å; K186-D222 WeakPolarHBondContact CE-OD1 3.34Å; K186-D222 WeakPolarHBondContact CE-OD2 3.46Å; K186-D222 VanDerWaalsContact NZ-CG 3.3Å; K186-D222 IonicContact NZ-OD1 3.47Å; K186-D222 PolarHBondContact NZ-OD1 2.92Å; K186-D222 IonicContact NZ-OD2 3.04Å; K186-D222 PolarHBondContact NZ-OD2 3.13Å; K186-N241 VanDerWaalsContact CE-OD1 3.31Å; K186-N241 WeakPolarHBondContact CE-OD1 3.31Å; K186-N241 PolarHBondContact NZ-OD1 3.35Å
187F98.8Very high93.3Very high95 Ų9540.8 Ų40.842%0.41719%0.185SC..EExtended strand (participates in β ladder)trans-85.9132.9162.2178.4-95.7000108.7D163 V164 R189 N217D163-F187 CarbonylContact C-O 3.59Å; D163-F187 WeakPolarHBondContact CA-O 3.35Å; V164-F187 PolarHBondContact N-O 2.92Å; V164-F187 PolarHBondContact O-N 2.82Å; F187-R189 HydrophobicContact CE1-CB 4.16Å; F187-N217 HydrophobicContact CE2-CB 3.95Å; F187-N217 HydrophobicContact CZ-CB 3.67Å
188Q98.4Very high92.3Very high3 Ų338 Ų381%0.01417%0.173CC..EExtended strand (participates in β ladder)trans-129.8111.7-175.6178.7171.276.200110.5I161 T162 D163 V190 G218 N220 N241 R245I161-Q188 HydrophobicContact CG2-CG 3.83Å; T162-Q188 WeakPolarHBondContact O-CA 3.4Å; D163-Q188 WeakPolarHBondContact OD1-CB 3.45Å; D163-Q188 WeakPolarHBondContact OD1-CG 3.48Å; D163-Q188 PolarHBondContact OD1-NE2 3.2Å; Q188-V190 HydrophobicContact CG-CG2 4.14Å; Q188-G218 PolarHBondContact N-O 3.44Å; Q188-G218 PolarHBondContact O-N 3.48Å; Q188-N220 PolarHBondContact OE1-ND2 3.11Å; Q188-N241 PolarHBondContact NE2-OD1 3.17Å; Q188-N241 VanDerWaalsContact NE2-OD1 3.17Å; Q188-R245 PolarHBondContact O-NH2 3.31Å
189R98.2Very high90.8Very high107 Ų10734.8 Ų34.840%0.40416%0.16SC..EExtended strand (participates in β ladder)trans-93.4131.8170.6171.5174.2171.8164.75.3109.4I161 T162 F187 D191 T215 N217I161-R189 CarbonylContact C-O 3.53Å; I161-R189 WeakPolarHBondContact CA-O 3.28Å; T162-R189 PolarHBondContact N-O 2.92Å; T162-R189 PolarHBondContact O-N 2.9Å; F187-R189 HydrophobicContact CE1-CB 4.16Å; R189-D191 IonicContact CZ-OD1 2.66Å; R189-D191 IonicContact CZ-OD2 2.68Å; R189-D191 IonicContact NE-OD1 3.33Å; R189-D191 PolarHBondContact NE-OD1 2.79Å; R189-D191 IonicContact NE-OD2 2.63Å; R189-D191 PolarHBondContact NE-OD2 3.22Å; R189-D191 IonicContact NH2-OD1 3.56Å; R189-D191 PolarHBondContact NH2-OD1 2.82Å; R189-D191 IonicContact NH2-OD2 3.82Å; R189-D191 PolarHBondContact NH2-OD2 2.93Å; R189-T215 HydrophobicContact CG-CG2 4.09Å; R189-N217 WeakPolarHBondContact CB-OD1 3.47Å; R189-N217 WeakPolarHBondContact CG-OD1 3.37Å
190V98Very high89.2Confident0 Ų033.3 Ų33.30%016%0.156CC..EExtended strand (participates in β ladder)trans-123.1118.2175.7-177.20000109.2L160 I161 Q188 L192 T215 Q216 I247 I261L160-V190 WeakPolarHBondContact O-CA 3.25Å; I161-V190 HydrophobicContact CG1-CG1 4.38Å; I161-V190 HydrophobicContact CG1-CG2 4.28Å; I161-V190 HydrophobicContact CG2-CG2 4.34Å; Q188-V190 HydrophobicContact CG-CG2 4.14Å; V190-L192 HydrophobicContact CG1-CD2 3.59Å; V190-L192 HydrophobicContact CG1-CG 4.03Å; V190-T215 CarbonylContact O-C 3.56Å; V190-T215 WeakPolarHBondContact O-CA 3.37Å; V190-Q216 PolarHBondContact N-O 2.66Å; V190-Q216 PolarHBondContact O-N 2.63Å; V190-I247 HydrophobicContact CB-CD1 3.7Å; V190-I247 HydrophobicContact CG1-CD1 3.84Å; V190-I247 HydrophobicContact CG2-CD1 3.8Å; V190-I261 HydrophobicContact CG2-CD1 3.63Å
191D95.7Very high87.4Confident7 Ų738 Ų384%0.03718%0.181CC..EExtended strand (participates in β ladder)trans-105119.4171.8-62.5-82000108.8A159 L160 R189 F193 H213 N214 T215A159-D191 CarbonylContact C-O 3.55Å; A159-D191 WeakPolarHBondContact CA-O 3.02Å; L160-D191 HydrophobicContact CB-CB 4.25Å; L160-D191 PolarHBondContact N-O 3.4Å; L160-D191 PolarHBondContact O-N 3.34Å; R189-D191 IonicContact CZ-OD1 2.66Å; R189-D191 IonicContact CZ-OD2 2.68Å; R189-D191 IonicContact NE-OD1 3.33Å; R189-D191 PolarHBondContact NE-OD1 2.79Å; R189-D191 IonicContact NE-OD2 2.63Å; R189-D191 PolarHBondContact NE-OD2 3.22Å; R189-D191 IonicContact NH2-OD1 3.56Å; R189-D191 PolarHBondContact NH2-OD1 2.82Å; R189-D191 IonicContact NH2-OD2 3.82Å; R189-D191 PolarHBondContact NH2-OD2 2.93Å; D191-F193 HydrophobicContact CB-CE2 3.89Å; D191-F193 HydrophobicContact CB-CZ 4.23Å; D191-H213 IonicContact OD1-CD2 3.65Å; D191-H213 IonicContact OD1-CE1 2.75Å; D191-H213 PolarHBondContact OD1-CE1 2.75Å; D191-H213 IonicContact OD1-NE2 3.77Å; D191-H213 PolarHBondContact OD1-NE2 3.16Å; D191-N214 CarbonylContact C-O 3.6Å; D191-N214 WeakPolarHBondContact CA-O 3.45Å; D191-T215 WeakPolarHBondContact OD1-CG2 3.38Å; D191-T215 PolarHBondContact OD1-OG1 3.2Å
192L95.5Very high85.1Confident0 Ų040.9 Ų40.90%019%0.188CC..EExtended strand (participates in β ladder)trans-108.2142.5177.6-57.7-172.6000111.1A158 A159 V190 H213 N214 I247 T249 F259A158-L192 CarbonylContact O-C 3.53Å; A158-L192 WeakPolarHBondContact O-CA 3.28Å; A159-L192 HydrophobicContact CB-CD2 3.47Å; A159-L192 VanDerWaalsContact CB-CD2 3.47Å; V190-L192 HydrophobicContact CG1-CD2 3.59Å; V190-L192 HydrophobicContact CG1-CG 4.03Å; L192-H213 CarbonylContact O-C 3.59Å; L192-H213 WeakPolarHBondContact O-CA 3.37Å; L192-N214 PolarHBondContact N-O 3.07Å; L192-N214 PolarHBondContact O-N 2.97Å; L192-I247 HydrophobicContact CD1-CB 3.86Å; L192-I247 HydrophobicContact CD1-CG2 3.48Å; L192-I247 VanDerWaalsContact CD1-CG2 3.48Å; L192-I247 VanDerWaalsContact CD1-O 3.29Å; L192-I247 WeakPolarHBondContact CD1-O 3.49Å; L192-I247 HydrophobicContact CG-CG2 4.14Å; L192-T249 HydrophobicContact CB-CG2 4.05Å; L192-T249 HydrophobicContact CD1-CG2 4.12Å; L192-F259 HydrophobicContact CD1-CB 3.74Å; L192-F259 HydrophobicContact CD2-CB 3.55Å; L192-F259 HydrophobicContact CD2-CD1 4.4Å; L192-F259 HydrophobicContact CD2-CD2 4.26Å; L192-F259 HydrophobicContact CD2-CG 3.83Å; L192-F259 HydrophobicContact CG-CB 4.32Å
193F90.9Very high82.9Confident82 Ų8244.9 Ų44.936%0.3621%0.208SC..EExtended strand (participates in β ladder)trans-128132.4178-56-93.7000109.3R157 A158 D191 Y212 H213R157-F193 CarbonylContact C-O 3.52Å; R157-F193 VanDerWaalsContact CA-O 3.28Å; R157-F193 WeakPolarHBondContact CA-O 3.3Å; A158-F193 HydrophobicContact CB-CB 4.09Å; A158-F193 HydrophobicContact CB-CD2 4.13Å; A158-F193 HydrophobicContact CB-CG 4.48Å; A158-F193 PolarHBondContact N-O 3.1Å; A158-F193 PolarHBondContact O-N 3.21Å; D191-F193 HydrophobicContact CB-CE2 3.89Å; D191-F193 HydrophobicContact CB-CZ 4.23Å; F193-Y212 WeakPolarHBondContact CA-O 3.32Å; F193-H213 HydrophobicContact CD1-CB 4.2Å; F193-H213 HydrophobicContact CE1-CB 4.01Å; F193-H213 AromaticContact CE1-CD2 3.64Å; F193-H213 AromaticContact CE1-CG 3.92Å; F193-H213 AromaticContact CZ-CD2 3.64Å
194N88.5Confident80.5Confident1 Ų144.4 Ų44.41%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-127.7119.1176.2-178.219.7000109N196 Y212 T249 K250 V252 V255N194-N196 PolarHBondContact OD1-ND2 2.72Å; N194-N196 VanDerWaalsContact OD1-ND2 3.16Å; N194-N196 PolarHBondContact OD1-OD1 3.23Å; N194-Y212 PolarHBondContact N-O 2.9Å; N194-Y212 WeakPolarHBondContact O-CB 3.33Å; N194-Y212 VanDerWaalsContact O-CD1 3.24Å; N194-Y212 WeakPolarHBondContact O-CD1 3.37Å; N194-T249 HydrophobicContact CB-CG2 3.9Å; N194-T249 PolarHBondContact ND2-OG1 3.12Å; N194-T249 VanDerWaalsContact ND2-OG1 3.17Å; N194-K250 PolarHBondContact ND2-O 2.87Å; N194-V252 HydrophobicContact CB-CG2 4.26Å; N194-V252 WeakPolarHBondContact O-CG2 3.26Å; N194-V255 PolarHBondContact ND2-O 3.43Å
195Y80.8Confident78Confident40 Ų4048.4 Ų48.416%0.15724%0.244CC..EExtended strand (participates in β ladder)trans-131.2108.6-178.3-176.7-98000109.6A156 T197 A206 Y212A156-Y195 HydrophobicContact CB-CD1 4.29Å; A156-Y195 PolarHBondContact N-O 2.78Å; A156-Y195 CarbonylContact O-C 3.55Å; A156-Y195 WeakPolarHBondContact O-CA 3.29Å; A156-Y195 PolarHBondContact O-N 2.97Å; A156-Y195 VanDerWaalsContact O-O 3.09Å; Y195-T197 HydrophobicContact CE1-CG2 3.78Å; Y195-A206 HydrophobicContact CE2-CB 4.42Å; Y195-Y212 HydrophobicContact CD2-CE2 4.45Å
196N76.3Confident75.8Confident5 Ų547.8 Ų47.83%0.02724%0.244CC..EExtended strand (participates in β ladder)trans-117.5112178.8-57.5-29000107.7F155 N194 V252 H253 V255F155-N196 HydrophobicContact CD1-CB 4.23Å; F155-N196 VanDerWaalsContact CD1-CG 3.44Å; F155-N196 WeakPolarHBondContact CD1-OD1 3.39Å; F155-N196 HydrophobicContact CE1-CB 4.19Å; N194-N196 PolarHBondContact OD1-ND2 2.72Å; N194-N196 VanDerWaalsContact OD1-ND2 3.16Å; N194-N196 PolarHBondContact OD1-OD1 3.23Å; N196-V252 HydrophobicContact CB-CG1 4.13Å; N196-V252 PolarHBondContact ND2-O 2.96Å; N196-H253 PolarHBondContact O-CE1 2.69Å; N196-H253 PolarHBondContact O-ND1 3.14Å; N196-V255 WeakPolarHBondContact ND2-CB 3.4Å
197T70.8Confident73.5Confident14 Ų1454.8 Ų54.89%0.08628%0.275CS..EExtended strand (participates in β ladder)trans-114.8146.2175.8-167.50000110.7Q153 A154 Y195Q153-T197 VanDerWaalsContact CA-O 3.24Å; Q153-T197 WeakPolarHBondContact CA-O 3.1Å; Q153-T197 WeakPolarHBondContact CB-O 3.33Å; A154-T197 HydrophobicContact CB-CG2 4.35Å; A154-T197 PolarHBondContact N-O 2.83Å; A154-T197 PolarHBondContact O-N 2.87Å; A154-T197 VanDerWaalsContact O-N 3.13Å; Y195-T197 HydrophobicContact CE1-CG2 3.78Å
198L67.1Low71.1Confident41 Ų4160.1 Ų60.122%0.21530%0.298CS..EExtended strand (participates in β ladder)trans-65.2135.6165.9-65.4165.7000107.6T151 Q153 K200 N201T151-L198 WeakPolarHBondContact O-CD2 3.48Å; Q153-L198 HydrophobicContact CG-CD2 3.82Å; Q153-L198 HydrophobicContact CG-CG 4.5Å; L198-K200 HydrophobicContact CB-CG 3.79Å; L198-K200 PolarHBondContact O-N 2.8Å; L198-K200 VanDerWaalsContact O-N 3.07Å; L198-N201 PolarHBondContact O-N 2.78Å
199I63.2Low68.9Low23 Ų2361.7 Ų61.712%0.11832%0.315CS..G310 helixtrans-53-34.7179.7-72176.5000111.4I55 L83 F86 S152 N201 Y202I55-I199 HydrophobicContact CG2-CG2 3.16Å; L83-I199 HydrophobicContact CD2-CD1 3.58Å; F86-I199 HydrophobicContact CD1-CD1 3.95Å; F86-I199 HydrophobicContact CE1-CD1 3.81Å; F86-I199 HydrophobicContact CE1-CG1 4.44Å; S152-I199 WeakPolarHBondContact O-CG1 3.37Å; S152-I199 PolarHBondContact O-N 2.84Å; I199-N201 VanDerWaalsContact C-N 3.26Å; I199-N201 PolarHBondContact O-N 2.85Å; I199-Y202 PolarHBondContact O-N 3.26Å
200K60.5Low67Low52 Ų5263.1 Ų63.123%0.22633%0.331CS..G310 helixtrans-64.6-21.2176.260.1174.2179-1700115.7W59 L198W59-K200 HydrophobicContact CD2-CB 4.11Å; W59-K200 VanDerWaalsContact CE2-CB 3.43Å; W59-K200 HydrophobicContact CH2-CB 3.98Å; W59-K200 HydrophobicContact CH2-CD 4.36Å; W59-K200 HydrophobicContact CZ2-CB 3.36Å; W59-K200 HydrophobicContact CZ2-CD 4.16Å; W59-K200 HydrophobicContact CZ2-CG 4.4Å; L198-K200 HydrophobicContact CB-CG 3.79Å; L198-K200 PolarHBondContact O-N 2.8Å; L198-K200 VanDerWaalsContact O-N 3.07Å
201N60.8Low65.3Low99 Ų9972 Ų7253%0.52936%0.364SS..G310 helixtrans-109.926.2-176-69-6.9000111.9L198 I199 D203L198-N201 PolarHBondContact O-N 2.78Å; I199-N201 VanDerWaalsContact C-N 3.26Å; I199-N201 PolarHBondContact O-N 2.85Å; N201-D203 PolarHBondContact O-N 2.74Å
202Y51.1Low63.9Low130 Ų13074.1 Ų74.151%0.5137%0.372SS..  trans-66.5104.5178-173.5-100.4000110.9I199I199-Y202 PolarHBondContact O-N 3.26Å
203D51.7Low63.1Low86 Ų8676.2 Ų76.246%0.4638%0.382SS..  trans-121.4119.5168.3-177.8-12.9000107.5N201 S205N201-D203 PolarHBondContact O-N 2.74Å; D203-S205 PolarHBondContact O-N 3.43Å; D203-S205 VanDerWaalsContact O-N 3.11Å; D203-S205 WeakPolarHBondContact OD1-CB 3.49Å; D203-S205 PolarHBondContact OD1-N 2.9Å; D203-S205 PolarHBondContact OD1-OG 2.93Å; D203-S205 PolarHBondContact OD2-OG 2.91Å
204S48.1Very low62.9Low84 Ų8474.7 Ų74.759%0.58738%0.378SS*.THydrogen-bonded Turntrans-67-6.4-179.158.50000113.5F207S204-F207 WeakPolarHBondContact O-CD2 3.43Å; S204-F207 VanDerWaalsContact O-CE2 3.31Å; S204-F207 WeakPolarHBondContact O-CE2 3.47Å
205S46.2Very low63Low84 Ų8477 Ų7759%0.58739%0.392SS*.THydrogen-bonded Turntrans-100-1.5-175.773.40000115.5D203 F207D203-S205 PolarHBondContact O-N 3.43Å; D203-S205 VanDerWaalsContact O-N 3.11Å; D203-S205 WeakPolarHBondContact OD1-CB 3.49Å; D203-S205 PolarHBondContact OD1-N 2.9Å; D203-S205 PolarHBondContact OD1-OG 2.93Å; D203-S205 PolarHBondContact OD2-OG 2.91Å; S205-F207 PolarHBondContact O-N 3.11Å
206A53.2Low63.6Low43 Ų4378.9 Ų78.936%0.35540%0.402SS..  trans-71.28-17400000116.2Y195 K208Y195-A206 HydrophobicContact CE2-CB 4.42Å; A206-K208 VanDerWaalsContact C-N 3.3Å; A206-K208 PolarHBondContact O-N 2.84Å
207F50.4Low64.6Low155 Ų15582.8 Ų82.868%0.6842%0.423SS*.  trans-78.523.7-166-74.9-82.2000117.1S204 S205S204-F207 WeakPolarHBondContact O-CD2 3.43Å; S204-F207 VanDerWaalsContact O-CE2 3.31Å; S204-F207 WeakPolarHBondContact O-CE2 3.47Å; S205-F207 PolarHBondContact O-N 3.11Å
208K48.8Very low65.9Low206 Ų20683 Ų8390%0.89643%0.428SS*.  trans-129.584.1-177.4-65.4-175.5-177.3177.80112.7A206A206-K208 VanDerWaalsContact C-N 3.3Å; A206-K208 PolarHBondContact O-N 2.84Å
209G51.7Low67.4Low37 Ų3786.9 Ų86.938%0.38145%0.448SS..  trans-167.8131.7165.500000114.6R211 Y212G209-R211 PolarHBondContact O-N 2.86Å; G209-Y212 PolarHBondContact O-N 3.34Å
210D58.5Low69.1Low136 Ų13686 Ų8673%0.72744%0.443SS*.G310 helixtrans-59.2-4.5174-59.8-26000114.2Y212 K250D210-Y212 PolarHBondContact O-N 2.75Å; D210-K250 PolarHBondContact O-NZ 3.07Å
211R61.7Low70.9Confident186 Ų18684 Ų8470%0.70244%0.437SS*.G310 helixtrans-67.3-18.8179.4-60.9-169.8-60.8179.11.6113.3G209 K250G209-R211 PolarHBondContact O-N 2.86Å; R211-K250 VanDerWaalsContact O-CD 3.28Å; R211-K250 WeakPolarHBondContact O-CD 3.28Å
212Y66.8Low72.7Confident52 Ų5279.4 Ų79.420%0.20441%0.412CS..G310 helixtrans-108.3-0.4-173.5-57.2-61.2000114.5F193 N194 Y195 G209 D210 V252F193-Y212 WeakPolarHBondContact CA-O 3.32Å; N194-Y212 PolarHBondContact N-O 2.9Å; N194-Y212 WeakPolarHBondContact O-CB 3.33Å; N194-Y212 VanDerWaalsContact O-CD1 3.24Å; N194-Y212 WeakPolarHBondContact O-CD1 3.37Å; Y195-Y212 HydrophobicContact CD2-CE2 4.45Å; G209-Y212 PolarHBondContact O-N 3.34Å; D210-Y212 PolarHBondContact O-N 2.75Å; Y212-V252 HydrophobicContact CD1-CG1 4.23Å; Y212-V252 HydrophobicContact CD1-CG2 3.57Å; Y212-V252 HydrophobicContact CE1-CG1 3.82Å; Y212-V252 HydrophobicContact CE1-CG2 3.95Å
213H79.1Confident75Confident44 Ų4477.1 Ų77.120%0.20441%0.408CS..EExtended strand (participates in β ladder)trans-110.4126.3-166.3173.3-135.8000112.2D191 L192 F193 T215 K250D191-H213 IonicContact OD1-CD2 3.65Å; D191-H213 IonicContact OD1-CE1 2.75Å; D191-H213 PolarHBondContact OD1-CE1 2.75Å; D191-H213 IonicContact OD1-NE2 3.77Å; D191-H213 PolarHBondContact OD1-NE2 3.16Å; L192-H213 CarbonylContact O-C 3.59Å; L192-H213 WeakPolarHBondContact O-CA 3.37Å; F193-H213 HydrophobicContact CD1-CB 4.2Å; F193-H213 HydrophobicContact CE1-CB 4.01Å; F193-H213 AromaticContact CE1-CD2 3.64Å; F193-H213 AromaticContact CE1-CG 3.92Å; F193-H213 AromaticContact CZ-CD2 3.64Å; H213-T215 PolarHBondContact CE1-OG1 2.63Å; H213-T215 PolarHBondContact NE2-OG1 2.68Å; H213-K250 VanDerWaalsContact O-CD 3.3Å; H213-K250 WeakPolarHBondContact O-CD 3.46Å; H213-K250 WeakPolarHBondContact O-CE 3.41Å; H213-K250 PolarHBondContact O-NZ 2.96Å
214N85.8Confident77.2Confident51 Ų5173.1 Ų73.127%0.27339%0.387SS..EExtended strand (participates in β ladder)trans-118.6129.9168.4-172.825.1000109.8D191 L192 E248 K250D191-N214 CarbonylContact C-O 3.6Å; D191-N214 WeakPolarHBondContact CA-O 3.45Å; L192-N214 PolarHBondContact N-O 3.07Å; L192-N214 PolarHBondContact O-N 2.97Å; N214-E248 PolarHBondContact ND2-O 3.39Å; N214-K250 HydrophobicContact CB-CG 4.39Å
215T91Very high79.7Confident50 Ų5070.7 Ų70.731%0.30737%0.372SS..EExtended strand (participates in β ladder)trans-112.8129.9175.1-56.30000109.7R189 V190 D191 H213R189-T215 HydrophobicContact CG-CG2 4.09Å; V190-T215 CarbonylContact O-C 3.56Å; V190-T215 WeakPolarHBondContact O-CA 3.37Å; D191-T215 WeakPolarHBondContact OD1-CG2 3.38Å; D191-T215 PolarHBondContact OD1-OG1 3.2Å; H213-T215 PolarHBondContact CE1-OG1 2.63Å; H213-T215 PolarHBondContact NE2-OG1 2.68Å
216Q94Very high82.1Confident78 Ų7866.9 Ų66.936%0.36435%0.346SS..EExtended strand (participates in β ladder)trans-129.8125.3170.2-172.1168.7-3.900111.3V190 I247V190-Q216 PolarHBondContact N-O 2.66Å; V190-Q216 PolarHBondContact O-N 2.63Å; Q216-I247 HydrophobicContact CB-CD1 4.14Å; Q216-I247 HydrophobicContact CB-CG2 4.04Å; Q216-I247 HydrophobicContact CG-CD1 4.48Å
217N97.4Very high84.2Confident87 Ų8767.1 Ų67.147%0.46534%0.34SS..EExtended strand (participates in β ladder)trans-95.3157.7174.6-63.3-30.6000110.3F187 R189 R245F187-N217 HydrophobicContact CE2-CB 3.95Å; F187-N217 HydrophobicContact CZ-CB 3.67Å; R189-N217 WeakPolarHBondContact CB-OD1 3.47Å; R189-N217 WeakPolarHBondContact CG-OD1 3.37Å; N217-R245 VanDerWaalsContact C-NH1 3.33Å; N217-R245 PolarHBondContact O-NH1 3.33Å
218G97.7Very high86.4Confident20 Ų2061.6 Ų61.621%0.20632%0.318CS..EExtended strand (participates in β ladder)trans-179178.9168.900000111.6Q188 R245Q188-G218 PolarHBondContact N-O 3.44Å; Q188-G218 PolarHBondContact O-N 3.48Å; G218-R245 VanDerWaalsContact CA-NH1 3.31Å
219I98.3Very high88.5Confident121 Ų12156 Ų5662%0.62130%0.297SS*.EExtended strand (participates in β ladder)trans-98.3150173.760173.9000109.6K186 I243K186-I219 CarbonylContact O-C 3.57Å; K186-I219 WeakPolarHBondContact O-CA 3.41Å; I219-I243 HydrophobicContact CG1-CD1 4.34Å
220N98.5Very high90.5Very high4 Ų458 Ų582%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-143.4177170.4-144.1-34.1000108.7K186 Q188 N241 L242 I243K186-N220 HydrophobicContact CD-CB 4.5Å; K186-N220 HydrophobicContact CG-CB 3.93Å; K186-N220 PolarHBondContact N-O 2.86Å; K186-N220 PolarHBondContact O-N 3.46Å; K186-N220 VanDerWaalsContact O-O 3.08Å; Q188-N220 PolarHBondContact OE1-ND2 3.11Å; N220-N241 VanDerWaalsContact OD1-CA 3.27Å; N220-N241 WeakPolarHBondContact OD1-CA 3.35Å; N220-L242 PolarHBondContact OD1-N 3.28Å; N220-L242 VanDerWaalsContact OD1-N 3.08Å; N220-I243 PolarHBondContact ND2-O 3.32Å; N220-I243 VanDerWaalsContact ND2-O 3.13Å; N220-I243 PolarHBondContact OD1-N 3.16Å
221A98.8Very high92.1Very high11 Ų1158.5 Ų58.59%0.09130%0.302CS..EExtended strand (participates in β ladder)trans-149.8155.7173.400000111.1F183 T184 N241 L242F183-A221 HydrophobicContact CE2-CB 3.58Å; F183-A221 HydrophobicContact CZ-CB 3.78Å; T184-A221 CarbonylContact O-C 3.48Å; T184-A221 VanDerWaalsContact O-CA 3.22Å; T184-A221 WeakPolarHBondContact O-CA 3.17Å; A221-N241 PolarHBondContact O-N 3.43Å; A221-L242 HydrophobicContact CB-CD1 4.14Å; A221-L242 WeakPolarHBondContact O-CB 3.41Å; A221-L242 VanDerWaalsContact O-CG 3.27Å; A221-L242 WeakPolarHBondContact O-CG 3.11Å; A221-L242 PolarHBondContact O-N 3.2Å
222D98.8Very high93.8Very high3 Ų352.4 Ų52.42%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-119.5146.3171-49-38.8000108.6F183 T184 K186 A239 Q240 N241F183-D222 WeakPolarHBondContact CA-O 3.34Å; F183-D222 VanDerWaalsContact CD2-O 3.28Å; F183-D222 WeakPolarHBondContact CD2-O 3.33Å; T184-D222 PolarHBondContact N-O 2.79Å; T184-D222 PolarHBondContact O-N 2.9Å; K186-D222 VanDerWaalsContact CE-OD1 3.24Å; K186-D222 WeakPolarHBondContact CE-OD1 3.34Å; K186-D222 WeakPolarHBondContact CE-OD2 3.46Å; K186-D222 VanDerWaalsContact NZ-CG 3.3Å; K186-D222 IonicContact NZ-OD1 3.47Å; K186-D222 PolarHBondContact NZ-OD1 2.92Å; K186-D222 IonicContact NZ-OD2 3.04Å; K186-D222 PolarHBondContact NZ-OD2 3.13Å; D222-A239 WeakPolarHBondContact CA-O 3.33Å; D222-Q240 HydrophobicContact CB-CG 4.21Å; D222-Q240 WeakPolarHBondContact OD1-CA 3.23Å; D222-Q240 WeakPolarHBondContact OD1-CB 3.36Å; D222-N241 PolarHBondContact OD1-N 2.81Å
223I98.8Very high95.2Very high81 Ų8155.3 Ų55.342%0.41529%0.294SS..EExtended strand (participates in β ladder)trans-132.2139.7173.8-168.4171.9000109.4G182 F183 V238 A239 L242G182-I223 CarbonylContact O-C 3.46Å; G182-I223 WeakPolarHBondContact O-CA 3.43Å; G182-I223 WeakPolarHBondContact O-CG1 3.29Å; F183-I223 HydrophobicContact CD2-CB 4.4Å; I223-V238 CarbonylContact O-C 3.56Å; I223-V238 WeakPolarHBondContact O-CA 3.34Å; I223-V238 WeakPolarHBondContact O-CG2 3.3Å; I223-A239 HydrophobicContact CG2-CB 3.97Å; I223-A239 PolarHBondContact N-O 2.8Å; I223-A239 PolarHBondContact O-N 2.84Å; I223-L242 HydrophobicContact CB-CD1 4.11Å; I223-L242 HydrophobicContact CG2-CD1 3.87Å; I223-L242 HydrophobicContact CG2-CD2 4.01Å; I223-L242 HydrophobicContact CG2-CG 4.41Å
224G98.8Very high96.2Very high3 Ų353.6 Ų53.63%0.03129%0.286CS..EExtended strand (participates in β ladder)trans-135.6151-176.700000111.8N18 G182 L237N18-G224 WeakPolarHBondContact OD1-CA 3.23Å; G182-G224 PolarHBondContact N-O 3.04Å; G182-G224 PolarHBondContact O-N 3.01Å; G224-L237 CarbonylContact C-O 3.53Å; G224-L237 WeakPolarHBondContact CA-O 3.17Å
225A98.7Very high96.8Very high33 Ų3354.5 Ų54.527%0.27329%0.291SS..EExtended strand (participates in β ladder)trans-132.6148.2168.100000109.4N18 S180 L181 G236 L237N18-A225 PolarHBondContact ND2-O 2.99Å; S180-A225 CarbonylContact O-C 3.47Å; S180-A225 VanDerWaalsContact O-CA 3.26Å; S180-A225 WeakPolarHBondContact O-CA 3.39Å; L181-A225 HydrophobicContact CD2-CB 4.05Å; A225-G236 WeakPolarHBondContact O-CA 3.33Å; A225-L237 PolarHBondContact N-O 3.28Å; A225-L237 PolarHBondContact O-N 2.75Å
226S98.2Very high97.1Very high4 Ų452.3 Ų52.33%0.02828%0.278CS..EExtended strand (participates in β ladder)trans-139.7149.3171.2172.10000109.1L21 W179 S180 T234 L235L21-S226 WeakPolarHBondContact CD2-OG 3.23Å; W179-S226 CarbonylContact C-O 3.6Å; W179-S226 VanDerWaalsContact CA-O 3.22Å; W179-S226 WeakPolarHBondContact CA-O 3.37Å; S180-S226 PolarHBondContact N-O 3.02Å; S180-S226 PolarHBondContact O-N 2.8Å; S226-T234 VanDerWaalsContact OG-CG2 3.29Å; S226-T234 WeakPolarHBondContact OG-CG2 3.25Å; S226-L235 CarbonylContact C-O 3.55Å; S226-L235 VanDerWaalsContact CA-O 3.23Å; S226-L235 WeakPolarHBondContact CA-O 3.48Å; S226-L235 PolarHBondContact OG-O 2.82Å
227M97.5Very high97.3Very high47 Ų4752.5 Ų52.523%0.23228%0.281CS..EExtended strand (participates in β ladder)trans-144.5127.8178.1179.6-174.3176.400109.5Q177 W179 L229 T234 L235Q177-M227 HydrophobicContact CB-CE 3.95Å; Q177-M227 VanDerWaalsContact CD-CE 3.47Å; Q177-M227 HydrophobicContact CG-CE 4.04Å; W179-M227 HydrophobicContact CB-CB 4.28Å; W179-M227 HydrophobicContact CB-CG 4.34Å; M227-L229 HydrophobicContact CE-CD2 3.8Å; M227-L229 HydrophobicContact CG-CD2 4.44Å; M227-L229 HydrophobicContact SD-CD2 4.01Å; M227-T234 CarbonylContact O-C 3.58Å; M227-T234 WeakPolarHBondContact O-CA 3.46Å; M227-L235 PolarHBondContact N-O 3.49Å; M227-L235 PolarHBondContact O-N 3.17Å
228D95.2Very high97.4Very high40 Ų4048.4 Ų48.421%0.21426%0.259CS..EExtended strand (participates in β ladder)trans-87119.2169.9-62.4-17.6000108K24 K178 T234K24-D228 WeakPolarHBondContact CE-OD1 3.26Å; K24-D228 IonicContact NZ-OD1 2.62Å; K24-D228 PolarHBondContact NZ-OD1 3.36Å; K24-D228 IonicContact NZ-OD2 3.52Å; K24-D228 PolarHBondContact NZ-OD2 2.85Å; K178-D228 PolarHBondContact O-N 3.15Å; K178-D228 VanDerWaalsContact O-N 3.09Å; D228-T234 PolarHBondContact OD1-OG1 3.29Å
229L94.1Very high97.5Very high89 Ų8948.2 Ų48.247%0.46626%0.255SS..SBendtrans-78.1-36.3174.7-60.9179.8000110.6M227 W233 L235M227-L229 HydrophobicContact CE-CD2 3.8Å; M227-L229 HydrophobicContact CG-CD2 4.44Å; M227-L229 HydrophobicContact SD-CD2 4.01Å; L229-W233 HydrophobicContact CB-CB 4.08Å; L229-W233 HydrophobicContact CD1-CB 4.31Å; L229-W233 PolarHBondContact N-O 2.87Å; L229-L235 HydrophobicContact CD1-CD1 3.96Å; L229-L235 HydrophobicContact CD1-CD2 4.23Å; L229-L235 HydrophobicContact CD1-CG 3.89Å; L229-L235 HydrophobicContact CD2-CD1 3.89Å; L229-L235 HydrophobicContact CD2-CG 4.33Å; L229-L235 HydrophobicContact CG-CD1 4.14Å; L229-L235 HydrophobicContact CG-CG 4.06Å
230D93.1Very high97.5Very high79 Ų7943.8 Ų43.842%0.42223%0.232SC..SBendtrans-156.4-170.8172.859.936.3000109.2N232 W233D230-N232 PolarHBondContact O-N 3.34Å; D230-N232 VanDerWaalsContact O-N 3.08Å; D230-N232 WeakPolarHBondContact OD1-CA 3.42Å; D230-N232 PolarHBondContact OD1-N 2.83Å; D230-W233 PolarHBondContact OD1-N 2.97Å
231D91.6Very high97.5Very high146 Ų14644.2 Ų44.278%0.78123%0.234SC*.SBendtrans-64.7-9.3-178.5-63.6-23.9000114.3H272D231-H272 PolarHBondContact O-CE1 3.48Å
232N96.9Very high97.5Very high58 Ų5846.8 Ų46.831%0.3125%0.246SC..SBendtrans-121.1-31.3-175.6-57.8117.5000113.2D230 W271 H272D230-N232 PolarHBondContact O-N 3.34Å; D230-N232 VanDerWaalsContact O-N 3.08Å; D230-N232 WeakPolarHBondContact OD1-CA 3.42Å; D230-N232 PolarHBondContact OD1-N 2.83Å; N232-W271 CarbonylContact O-C 3.59Å; N232-W271 WeakPolarHBondContact O-CA 3.3Å; N232-H272 WeakPolarHBondContact CA-O 3.13Å; N232-H272 WeakPolarHBondContact CB-O 3.02Å; N232-H272 PolarHBondContact ND2-O 3.21Å; N232-H272 PolarHBondContact O-CD2 3Å; N232-H272 PolarHBondContact O-N 2.75Å
233W97.9Very high97.4Very high113 Ų11350.1 Ų50.143%0.42826%0.263SS..EExtended strand (participates in β ladder)trans-102.9122.3-173.9-73.496.5000112.4L229 D230 V269 S270 W271L229-W233 HydrophobicContact CB-CB 4.08Å; L229-W233 HydrophobicContact CD1-CB 4.31Å; L229-W233 PolarHBondContact N-O 2.87Å; D230-W233 PolarHBondContact OD1-N 2.97Å; W233-V269 HydrophobicContact CE3-CG2 3.62Å; W233-V269 HydrophobicContact CZ3-CG2 3.67Å; W233-S270 WeakPolarHBondContact CA-O 3.34Å; W233-W271 AromaticContact CD1-CD1 3.72Å; W233-W271 HydrophobicContact CD2-CB 4.13Å; W233-W271 AromaticContact CD2-CD1 3.79Å; W233-W271 HydrophobicContact CD2-CG 4.37Å; W233-W271 AromaticContact CE2-CD1 3.38Å; W233-W271 HydrophobicContact CE3-CB 4.03Å; W233-W271 AromaticContact CG-CD1 4Å; W233-W271 HydrophobicContact CH2-CB 4.11Å; W233-W271 HydrophobicContact CZ2-CB 4.21Å; W233-W271 AromaticContact CZ2-CD1 3.83Å; W233-W271 HydrophobicContact CZ2-CG 4.19Å; W233-W271 HydrophobicContact CZ3-CB 4.02Å; W233-W271 AromaticContact NE1-CD1 3.34Å; W233-W271 VanDerWaalsContact NE1-CD1 3.34Å; W233-W271 AromaticContact NE1-NE1 3.9Å
234T98.1Very high97.4Very high7 Ų749.9 Ų49.94%0.04327%0.267CS..EExtended strand (participates in β ladder)trans-119.8132.7173.2-57.10000110.2A7 S226 M227 D228 V269 S270A7-T234 HydrophobicContact CB-CG2 4.34Å; S226-T234 VanDerWaalsContact OG-CG2 3.29Å; S226-T234 WeakPolarHBondContact OG-CG2 3.25Å; M227-T234 CarbonylContact O-C 3.58Å; M227-T234 WeakPolarHBondContact O-CA 3.46Å; D228-T234 PolarHBondContact OD1-OG1 3.29Å; T234-V269 CarbonylContact O-C 3.55Å; T234-V269 WeakPolarHBondContact O-CA 3.48Å; T234-S270 PolarHBondContact N-O 2.96Å; T234-S270 PolarHBondContact O-N 3.04Å
235L98.5Very high97.3Very high71 Ų7151.2 Ų51.237%0.37227%0.271SS..EExtended strand (participates in β ladder)trans-97.7146.7166.5-59.8-179.4000109.7S226 M227 L229 V269S226-L235 CarbonylContact C-O 3.55Å; S226-L235 VanDerWaalsContact CA-O 3.23Å; S226-L235 WeakPolarHBondContact CA-O 3.48Å; S226-L235 PolarHBondContact OG-O 2.82Å; M227-L235 PolarHBondContact N-O 3.49Å; M227-L235 PolarHBondContact O-N 3.17Å; L229-L235 HydrophobicContact CD1-CD1 3.96Å; L229-L235 HydrophobicContact CD1-CD2 4.23Å; L229-L235 HydrophobicContact CD1-CG 3.89Å; L229-L235 HydrophobicContact CD2-CD1 3.89Å; L229-L235 HydrophobicContact CD2-CG 4.33Å; L229-L235 HydrophobicContact CG-CD1 4.14Å; L229-L235 HydrophobicContact CG-CG 4.06Å; L235-V269 HydrophobicContact CD2-CB 3.97Å; L235-V269 HydrophobicContact CD2-CG2 3.79Å
236G98.7Very high97.2Very high3 Ų353.3 Ų53.33%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-137.3144.6175.800000111.8A225 T267 G268A225-G236 WeakPolarHBondContact O-CA 3.33Å; G236-T267 CarbonylContact O-C 3.13Å; G236-T267 WeakPolarHBondContact O-CA 3.31Å; G236-T267 PolarHBondContact O-OG1 3.34Å; G236-G268 PolarHBondContact N-O 3.47Å; G236-G268 PolarHBondContact O-N 2.72Å
237L98.8Very high97.1Very high82 Ų8253.1 Ų53.143%0.42928%0.283SS..EExtended strand (participates in β ladder)trans-140.4132.1171.1-179.867.7000108.1G224 A225 V265G224-L237 CarbonylContact C-O 3.53Å; G224-L237 WeakPolarHBondContact CA-O 3.17Å; A225-L237 PolarHBondContact N-O 3.28Å; A225-L237 PolarHBondContact O-N 2.75Å; L237-V265 HydrophobicContact CD1-CG1 3.98Å
238V98.9Very high97Very high1 Ų156.8 Ų56.81%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-135.8143.7176.668.10000110.2V6 A17 N18 I223 Q240 V265 T266V6-V238 HydrophobicContact CG1-CB 4.48Å; V6-V238 HydrophobicContact CG1-CG1 4.07Å; V6-V238 HydrophobicContact CG2-CG1 3.77Å; A17-V238 WeakPolarHBondContact O-CG1 3.05Å; A17-V238 WeakPolarHBondContact O-CG2 3.45Å; N18-V238 HydrophobicContact CB-CB 4.27Å; I223-V238 CarbonylContact O-C 3.56Å; I223-V238 WeakPolarHBondContact O-CA 3.34Å; I223-V238 WeakPolarHBondContact O-CG2 3.3Å; V238-Q240 HydrophobicContact CG2-CG 4.05Å; V238-V265 CarbonylContact O-C 3.58Å; V238-V265 VanDerWaalsContact O-CA 3.25Å; V238-V265 WeakPolarHBondContact O-CA 3.38Å; V238-T266 PolarHBondContact N-O 2.88Å; V238-T266 PolarHBondContact O-N 2.78Å
239A98.8Very high96.8Very high16 Ų1655.2 Ų55.213%0.13229%0.291CS..EExtended strand (participates in β ladder)trans-124.4107.5166.800000108.9D222 I223 L242 Q264 V265D222-A239 WeakPolarHBondContact CA-O 3.33Å; I223-A239 HydrophobicContact CG2-CB 3.97Å; I223-A239 PolarHBondContact N-O 2.8Å; I223-A239 PolarHBondContact O-N 2.84Å; A239-L242 HydrophobicContact CB-CD2 3.73Å; A239-Q264 CarbonylContact C-O 3.56Å; A239-Q264 WeakPolarHBondContact CA-O 3.25Å; A239-V265 HydrophobicContact CB-CG2 4.01Å
240Q98.5Very high96.5Very high29 Ų2955.2 Ų55.214%0.13629%0.287CS..EExtended strand (participates in β ladder)trans-92.9155176.1-67.917566.700111D222 V238 L242 P263 Q264D222-Q240 HydrophobicContact CB-CG 4.21Å; D222-Q240 WeakPolarHBondContact OD1-CA 3.23Å; D222-Q240 WeakPolarHBondContact OD1-CB 3.36Å; V238-Q240 HydrophobicContact CG2-CG 4.05Å; Q240-L242 PolarHBondContact O-N 3.07Å; Q240-P263 CarbonylContact O-C 3.53Å; Q240-P263 WeakPolarHBondContact O-CA 3.27Å; Q240-Q264 HydrophobicContact CB-CB 4.32Å; Q240-Q264 PolarHBondContact N-O 3.04Å; Q240-Q264 PolarHBondContact O-N 2.95Å
241N98Very high96.2Very high12 Ų1258 Ų586%0.06430%0.298CS..  trans55.649.5176.8-61-43.8000113.2K186 Q188 N220 A221 D222 I243 I261 R262 P263 Q264K186-N241 VanDerWaalsContact CE-OD1 3.31Å; K186-N241 WeakPolarHBondContact CE-OD1 3.31Å; K186-N241 PolarHBondContact NZ-OD1 3.35Å; Q188-N241 PolarHBondContact NE2-OD1 3.17Å; Q188-N241 VanDerWaalsContact NE2-OD1 3.17Å; N220-N241 VanDerWaalsContact OD1-CA 3.27Å; N220-N241 WeakPolarHBondContact OD1-CA 3.35Å; A221-N241 PolarHBondContact O-N 3.43Å; D222-N241 PolarHBondContact OD1-N 2.81Å; N241-I243 PolarHBondContact O-N 3.29Å; N241-I261 HydrophobicContact CB-CG2 3.83Å; N241-R262 WeakPolarHBondContact CB-O 3.44Å; N241-P263 VanDerWaalsContact O-CA 3.3Å; N241-P263 WeakPolarHBondContact O-CA 3.4Å; N241-Q264 PolarHBondContact ND2-OE1 3.19Å; N241-Q264 VanDerWaalsContact ND2-OE1 3.13Å
242L98.5Very high95.7Very high65 Ų6551.5 Ų51.534%0.3426%0.263SS..  trans-52.8-27.9-176.6-68.8175.1000114.4N220 A221 I223 A239 Q240 P244N220-L242 PolarHBondContact OD1-N 3.28Å; N220-L242 VanDerWaalsContact OD1-N 3.08Å; A221-L242 HydrophobicContact CB-CD1 4.14Å; A221-L242 WeakPolarHBondContact O-CB 3.41Å; A221-L242 VanDerWaalsContact O-CG 3.27Å; A221-L242 WeakPolarHBondContact O-CG 3.11Å; A221-L242 PolarHBondContact O-N 3.2Å; I223-L242 HydrophobicContact CB-CD1 4.11Å; I223-L242 HydrophobicContact CG2-CD1 3.87Å; I223-L242 HydrophobicContact CG2-CD2 4.01Å; I223-L242 HydrophobicContact CG2-CG 4.41Å; A239-L242 HydrophobicContact CB-CD2 3.73Å; Q240-L242 PolarHBondContact O-N 3.07Å; L242-P244 VanDerWaalsContact O-CD 3.28Å; L242-P244 WeakPolarHBondContact O-CD 3.31Å
243I98.4Very high94.8Very high74 Ų7454.6 Ų54.638%0.37928%0.276SS..SBendtrans-96105.3178-58.2176.6000109.2I219 N220 N241I219-I243 HydrophobicContact CG1-CD1 4.34Å; N220-I243 PolarHBondContact ND2-O 3.32Å; N220-I243 VanDerWaalsContact ND2-O 3.13Å; N220-I243 PolarHBondContact OD1-N 3.16Å; N241-I243 PolarHBondContact O-N 3.29Å
244P97.9Very high94Very high76 Ų7651.9 Ų51.949%0.49428%0.283SS..  trans-66.9141.8176.826.2-33.1000111.4L242 I261 P263L242-P244 VanDerWaalsContact O-CD 3.28Å; L242-P244 WeakPolarHBondContact O-CD 3.31Å; P244-I261 WeakPolarHBondContact CA-O 3.24Å; P244-P263 HydrophobicContact CB-CG 4.35Å
245R96.9Very high93.4Very high30 Ų3053.2 Ų53.211%0.11329%0.291CS..EExtended strand (participates in β ladder)trans-141.6140.3173.7-63.2-170.5-69.7166.4-3.2110.9Q188 N217 G218 I247 R260 I261Q188-R245 PolarHBondContact O-NH2 3.31Å; N217-R245 VanDerWaalsContact C-NH1 3.33Å; N217-R245 PolarHBondContact O-NH1 3.33Å; G218-R245 VanDerWaalsContact CA-NH1 3.31Å; R245-I247 HydrophobicContact CB-CG1 4.43Å; R245-R260 CarbonylContact O-C 3.58Å; R245-R260 WeakPolarHBondContact O-CA 3.36Å; R245-I261 HydrophobicContact CB-CB 4.26Å; R245-I261 HydrophobicContact CB-CD1 4.18Å; R245-I261 PolarHBondContact N-O 2.96Å; R245-I261 VanDerWaalsContact N-O 3.08Å; R245-I261 PolarHBondContact O-N 3.41Å
246S97.4Very high93Very high77 Ų7752.5 Ų52.554%0.53829%0.29SS..EExtended strand (participates in β ladder)trans-113123.8169.3-64.20000107.7
247I96.2Very high92.7Very high1 Ų153 Ų531%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-124.8121.3-174-52.4174.4000106.8V190 L192 Q216 R245 F259 I261V190-I247 HydrophobicContact CB-CD1 3.7Å; V190-I247 HydrophobicContact CG1-CD1 3.84Å; V190-I247 HydrophobicContact CG2-CD1 3.8Å; L192-I247 HydrophobicContact CD1-CB 3.86Å; L192-I247 HydrophobicContact CD1-CG2 3.48Å; L192-I247 VanDerWaalsContact CD1-CG2 3.48Å; L192-I247 VanDerWaalsContact CD1-O 3.29Å; L192-I247 WeakPolarHBondContact CD1-O 3.49Å; L192-I247 HydrophobicContact CG-CG2 4.14Å; Q216-I247 HydrophobicContact CB-CD1 4.14Å; Q216-I247 HydrophobicContact CB-CG2 4.04Å; Q216-I247 HydrophobicContact CG-CD1 4.48Å; R245-I247 HydrophobicContact CB-CG1 4.43Å; I247-F259 PolarHBondContact N-O 3.3Å; I247-F259 PolarHBondContact O-N 3.2Å; I247-I261 HydrophobicContact CD1-CD1 4Å
248E94.5Very high92.5Very high123 Ų12350.6 Ų50.658%0.57528%0.28SS*.EExtended strand (participates in β ladder)trans-85.4144.5178.7-70.6177.5-176.300110.5N214 T256 E257N214-E248 PolarHBondContact ND2-O 3.39Å; E248-T256 HydrophobicContact CB-CG2 3.79Å; E248-T256 HydrophobicContact CG-CG2 4.11Å; E248-E257 CarbonylContact C-O 3.46Å; E248-E257 WeakPolarHBondContact CA-O 3.24Å
249T91.6Very high92.4Very high8 Ų850.9 Ų50.95%0.04928%0.281CS..PPolyproline II helixtrans-70.4167.9166.962.80000110.5L192 N194 E257 F290L192-T249 HydrophobicContact CB-CG2 4.05Å; L192-T249 HydrophobicContact CD1-CG2 4.12Å; N194-T249 HydrophobicContact CB-CG2 3.9Å; N194-T249 PolarHBondContact ND2-OG1 3.12Å; N194-T249 VanDerWaalsContact ND2-OG1 3.17Å; T249-E257 HydrophobicContact CG2-CB 3.89Å; T249-E257 PolarHBondContact N-O 3Å; T249-E257 PolarHBondContact OG1-N 3.43Å; T249-E257 PolarHBondContact OG1-O 3.32Å; T249-F290 HydrophobicContact CG2-CE1 4.06Å
250K87.5Confident92.4Very high88 Ų8855.7 Ų55.738%0.38330%0.296SS..PPolyproline II helixtrans-63.9140.9162.2-76.8-178.2172.3153.40109.4N194 D210 R211 H213 N214 V252N194-K250 PolarHBondContact ND2-O 2.87Å; D210-K250 PolarHBondContact O-NZ 3.07Å; R211-K250 VanDerWaalsContact O-CD 3.28Å; R211-K250 WeakPolarHBondContact O-CD 3.28Å; H213-K250 VanDerWaalsContact O-CD 3.3Å; H213-K250 WeakPolarHBondContact O-CD 3.46Å; H213-K250 WeakPolarHBondContact O-CE 3.41Å; H213-K250 PolarHBondContact O-NZ 2.96Å; N214-K250 HydrophobicContact CB-CG 4.39Å; K250-V252 PolarHBondContact O-N 3.29Å
251E86.4Confident92.4Very high138 Ų13854.5 Ų54.565%0.64529%0.29SS*.PPolyproline II helixtrans-65.7128.7173.5-170.3-173138.100110.1G254 T256E251-G254 WeakPolarHBondContact OE1-CA 3.44Å; E251-T256 WeakPolarHBondContact CB-OG1 3.49Å
252V81Confident92.4Very high9 Ų955.6 Ų55.66%0.05529%0.294CS..BIsolated β-bridgetrans-132.7119.2177.1-178.50000108.4N194 N196 Y212 K250 G254 V255N194-V252 HydrophobicContact CB-CG2 4.26Å; N194-V252 WeakPolarHBondContact O-CG2 3.26Å; N196-V252 HydrophobicContact CB-CG1 4.13Å; N196-V252 PolarHBondContact ND2-O 2.96Å; Y212-V252 HydrophobicContact CD1-CG1 4.23Å; Y212-V252 HydrophobicContact CD1-CG2 3.57Å; Y212-V252 HydrophobicContact CE1-CG1 3.82Å; Y212-V252 HydrophobicContact CE1-CG2 3.95Å; K250-V252 PolarHBondContact O-N 3.29Å; V252-G254 VanDerWaalsContact C-N 3.27Å; V252-G254 PolarHBondContact O-N 3.23Å; V252-V255 PolarHBondContact N-O 2.87Å; V252-V255 PolarHBondContact O-N 3.18Å
253H77.8Confident92.4Very high123 Ų12354.9 Ų54.957%0.56929%0.293SS*.THydrogen-bonded Turntrans53.341.8-177-56.8129.5000113.1N196 V255N196-H253 PolarHBondContact O-CE1 2.69Å; N196-H253 PolarHBondContact O-ND1 3.14Å; H253-V255 VanDerWaalsContact C-N 3.25Å; H253-V255 PolarHBondContact O-N 3.39Å
254G82Confident92.4Very high57 Ų5753.3 Ų53.359%0.58828%0.284SS*.THydrogen-bonded Turntrans79.22.7-179.500000114.8E251 V252E251-G254 WeakPolarHBondContact OE1-CA 3.44Å; V252-G254 VanDerWaalsContact C-N 3.27Å; V252-G254 PolarHBondContact O-N 3.23Å
255V84Confident92.4Very high35 Ų3551.6 Ų51.621%0.21227%0.272CS..BIsolated β-bridgetrans-114.8122.3-176177.90000110.7F155 N194 N196 V252 H253F155-V255 HydrophobicContact CD1-CG1 4.34Å; F155-V255 HydrophobicContact CE1-CB 4.28Å; F155-V255 HydrophobicContact CE1-CG1 3.98Å; F155-V255 HydrophobicContact CE1-CG2 4.01Å; N194-V255 PolarHBondContact ND2-O 3.43Å; N196-V255 WeakPolarHBondContact ND2-CB 3.4Å; V252-V255 PolarHBondContact N-O 2.87Å; V252-V255 PolarHBondContact O-N 3.18Å; H253-V255 VanDerWaalsContact C-N 3.25Å; H253-V255 PolarHBondContact O-N 3.39Å
256T90.6Very high92.5Very high55 Ų5550.7 Ų50.734%0.33727%0.269SS..  trans-114.8136.6171.3-61.20000108.5E248 E251E248-T256 HydrophobicContact CB-CG2 3.79Å; E248-T256 HydrophobicContact CG-CG2 4.11Å; E251-T256 WeakPolarHBondContact CB-OG1 3.49Å
257E91.9Very high92.6Very high14 Ų1449.8 Ų49.87%0.06526%0.261CS..  trans-113149.4176.7-69.3-70.416800109K125 E248 T249 F290 S292K125-E257 IonicContact NZ-OE1 2.7Å; E248-E257 CarbonylContact C-O 3.46Å; E248-E257 WeakPolarHBondContact CA-O 3.24Å; T249-E257 HydrophobicContact CG2-CB 3.89Å; T249-E257 PolarHBondContact N-O 3Å; T249-E257 PolarHBondContact OG1-N 3.43Å; T249-E257 PolarHBondContact OG1-O 3.32Å; E257-F290 HydrophobicContact CB-CD1 4.21Å; E257-F290 HydrophobicContact CB-CE1 4.38Å; E257-S292 WeakPolarHBondContact OE2-CB 3.4Å; E257-S292 PolarHBondContact OE2-OG 3.13Å
258T96.1Very high92.7Very high32 Ų3250 Ų5020%0.19626%0.263CS..EExtended strand (participates in β ladder)trans-113121.9178.9-600000110.3F290 T291T258-F290 CarbonylContact O-C 3.59Å; T258-F290 VanDerWaalsContact O-CA 3.31Å; T258-F290 WeakPolarHBondContact O-CA 3.47Å; T258-T291 HydrophobicContact CG2-CG2 4.13Å; T258-T291 PolarHBondContact O-N 3.47Å; T258-T291 PolarHBondContact O-OG1 2.94Å
259F97Very high92.9Very high6 Ų646 Ų463%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-91.3124.2166.7-165.5-90.3000109.9T119 A159 I161 L192 I247 I261 G289 F290T119-F259 HydrophobicContact CG2-CE2 4Å; A159-F259 HydrophobicContact CB-CD2 3.48Å; A159-F259 VanDerWaalsContact CB-CD2 3.48Å; A159-F259 HydrophobicContact CB-CE2 3.39Å; A159-F259 HydrophobicContact CB-CG 4.09Å; A159-F259 HydrophobicContact CB-CZ 3.96Å; I161-F259 HydrophobicContact CD1-CE1 4.08Å; I161-F259 HydrophobicContact CD1-CZ 3.77Å; I161-F259 HydrophobicContact CG1-CE1 4.26Å; I161-F259 HydrophobicContact CG1-CZ 4.45Å; L192-F259 HydrophobicContact CD1-CB 3.74Å; L192-F259 HydrophobicContact CD2-CB 3.55Å; L192-F259 HydrophobicContact CD2-CD1 4.4Å; L192-F259 HydrophobicContact CD2-CD2 4.26Å; L192-F259 HydrophobicContact CD2-CG 3.83Å; L192-F259 HydrophobicContact CG-CB 4.32Å; I247-F259 PolarHBondContact N-O 3.3Å; I247-F259 PolarHBondContact O-N 3.2Å; F259-I261 HydrophobicContact CD1-CG1 4.29Å; F259-I261 HydrophobicContact CE1-CG1 4.23Å; F259-G289 VanDerWaalsContact CE2-CA 3.45Å; F259-F290 HydrophobicContact CB-CD1 4.02Å; F259-F290 HydrophobicContact CB-CE1 3.96Å; F259-F290 AromaticContact CD2-CD1 3.96Å; F259-F290 HydrophobicContact CD2-CD1 3.96Å; F259-F290 AromaticContact CD2-CD2 3.82Å; F259-F290 HydrophobicContact CD2-CD2 3.82Å; F259-F290 AromaticContact CD2-CE1 3.97Å; F259-F290 HydrophobicContact CD2-CE1 3.97Å; F259-F290 AromaticContact CD2-CE2 3.83Å; F259-F290 HydrophobicContact CD2-CE2 3.83Å; F259-F290 AromaticContact CD2-CG 3.88Å; F259-F290 HydrophobicContact CD2-CG 3.88Å; F259-F290 AromaticContact CD2-CZ 3.91Å; F259-F290 HydrophobicContact CD2-CZ 3.91Å; F259-F290 HydrophobicContact CE2-CD2 4.27Å; F259-F290 HydrophobicContact CE2-CE2 4.3Å; F259-F290 HydrophobicContact CG-CE1 4.48Å
260R97.9Very high93.2Very high118 Ų11845.8 Ų45.845%0.44525%0.246SC..EExtended strand (participates in β ladder)trans-110.7114.1-178.4-168.9171.3178.3171.1-0.2110.8R245 R262 S288 G289 T291R245-R260 CarbonylContact O-C 3.58Å; R245-R260 WeakPolarHBondContact O-CA 3.36Å; R260-R262 HydrophobicContact CG-CG 3.93Å; R260-R262 PolarHBondContact O-N 3.45Å; R260-S288 WeakPolarHBondContact O-CA 3.42Å; R260-S288 WeakPolarHBondContact O-CB 3.48Å; R260-G289 PolarHBondContact N-O 3.49Å; R260-G289 PolarHBondContact O-N 2.91Å; R260-G289 VanDerWaalsContact O-N 3.17Å; R260-T291 HydrophobicContact CB-CG2 4.05Å
261I98.1Very high93.8Very high3 Ų345.1 Ų45.12%0.01524%0.241CC..EExtended strand (participates in β ladder)trans-77.2116.6165.1-55.7175.2000107.2V190 N241 P244 R245 I247 F259 S288V190-I261 HydrophobicContact CG2-CD1 3.63Å; N241-I261 HydrophobicContact CB-CG2 3.83Å; P244-I261 WeakPolarHBondContact CA-O 3.24Å; R245-I261 HydrophobicContact CB-CB 4.26Å; R245-I261 HydrophobicContact CB-CD1 4.18Å; R245-I261 PolarHBondContact N-O 2.96Å; R245-I261 VanDerWaalsContact N-O 3.08Å; R245-I261 PolarHBondContact O-N 3.41Å; I247-I261 HydrophobicContact CD1-CD1 4Å; F259-I261 HydrophobicContact CD1-CG1 4.29Å; F259-I261 HydrophobicContact CE1-CG1 4.23Å; I261-S288 WeakPolarHBondContact CA-OG 3.16Å
262R98Very high94.3Very high36 Ų3641.9 Ų41.914%0.13623%0.226CC..  trans-110.2143.2-177.1-61.7-179.7-176.888.96109.2N241 R260 Q264 A287 S288N241-R262 WeakPolarHBondContact CB-O 3.44Å; R260-R262 HydrophobicContact CG-CG 3.93Å; R260-R262 PolarHBondContact O-N 3.45Å; R262-Q264 WeakPolarHBondContact O-CG 3.33Å; R262-Q264 PolarHBondContact O-N 3.21Å; R262-A287 PolarHBondContact NH1-O 3.5Å; R262-S288 PolarHBondContact N-OG 3.29Å; R262-S288 PolarHBondContact O-OG 2.94Å
263P98.5Very high94.9Very high49 Ų4944 Ų4432%0.31824%0.237SC..  trans-55.5127.2158.8-24.734.7000109.2Q240 N241 P244 T285Q240-P263 CarbonylContact O-C 3.53Å; Q240-P263 WeakPolarHBondContact O-CA 3.27Å; N241-P263 VanDerWaalsContact O-CA 3.3Å; N241-P263 WeakPolarHBondContact O-CA 3.4Å; P244-P263 HydrophobicContact CB-CG 4.35Å; P263-T285 PolarHBondContact O-OG1 3.36Å
264Q98.4Very high95.6Very high42 Ų4244.9 Ų44.920%0.19625%0.246CC..EExtended strand (participates in β ladder)trans-118.2101.4-174.5-75.7173.6-108.700109.2A239 Q240 N241 R262 T285 S288A239-Q264 CarbonylContact C-O 3.56Å; A239-Q264 WeakPolarHBondContact CA-O 3.25Å; Q240-Q264 HydrophobicContact CB-CB 4.32Å; Q240-Q264 PolarHBondContact N-O 3.04Å; Q240-Q264 PolarHBondContact O-N 2.95Å; N241-Q264 PolarHBondContact ND2-OE1 3.19Å; N241-Q264 VanDerWaalsContact ND2-OE1 3.13Å; R262-Q264 WeakPolarHBondContact O-CG 3.33Å; R262-Q264 PolarHBondContact O-N 3.21Å; Q264-T285 VanDerWaalsContact CA-OG1 3.28Å; Q264-T285 WeakPolarHBondContact CA-OG1 3.33Å; Q264-S288 PolarHBondContact OE1-OG 3.19Å
265V98.8Very high96.2Very high39 Ų3947.1 Ų47.124%0.23624%0.242CC..EExtended strand (participates in β ladder)trans-97.9127.7178.4-169.50000109.7L237 V238 A239 L284 T285L237-V265 HydrophobicContact CD1-CG1 3.98Å; V238-V265 CarbonylContact O-C 3.58Å; V238-V265 VanDerWaalsContact O-CA 3.25Å; V238-V265 WeakPolarHBondContact O-CA 3.38Å; A239-V265 HydrophobicContact CB-CG2 4.01Å; V265-L284 HydrophobicContact CB-CB 4.25Å; V265-L284 HydrophobicContact CG1-CB 4.39Å; V265-L284 HydrophobicContact CG1-CD1 3.91Å; V265-L284 HydrophobicContact CG1-CG 4.46Å; V265-L284 PolarHBondContact O-N 3.48Å; V265-T285 HydrophobicContact CB-CG2 4.25Å; V265-T285 HydrophobicContact CG2-CG2 4.18Å; V265-T285 PolarHBondContact N-OG1 2.89Å; V265-T285 PolarHBondContact O-N 3.35Å
266T98.9Very high96.8Very high11 Ų1149.7 Ų49.77%0.06725%0.251CS..EExtended strand (participates in β ladder)trans-134.3135.5177.5-53.40000108.6V6 V238 D281 V282 D283V6-T266 HydrophobicContact CG2-CG2 3.66Å; V238-T266 PolarHBondContact N-O 2.88Å; V238-T266 PolarHBondContact O-N 2.78Å; T266-D281 HydrophobicContact CG2-CB 4.14Å; T266-V282 WeakPolarHBondContact CA-O 3.26Å; T266-V282 WeakPolarHBondContact CG2-O 3.35Å; T266-D283 WeakPolarHBondContact CG2-OD1 3.28Å; T266-D283 PolarHBondContact OG1-OD1 3.38Å
267T98.8Very high97.2Very high58 Ų5848.4 Ų48.436%0.35624%0.243SC..EExtended strand (participates in β ladder)trans-108.1146.5172-165.30000109.2G236 D281 V282 L284G236-T267 CarbonylContact O-C 3.13Å; G236-T267 WeakPolarHBondContact O-CA 3.31Å; G236-T267 PolarHBondContact O-OG1 3.34Å; T267-D281 CarbonylContact O-C 3.49Å; T267-D281 WeakPolarHBondContact O-CA 3.34Å; T267-V282 HydrophobicContact CG2-CB 4.25Å; T267-V282 PolarHBondContact N-O 3.04Å; T267-V282 PolarHBondContact O-N 3.25Å; T267-L284 HydrophobicContact CG2-CD2 4.12Å; T267-L284 HydrophobicContact CG2-CG 4.48Å
268G98.8Very high97.5Very high6 Ų650.5 Ų50.56%0.06226%0.257CS..EExtended strand (participates in β ladder)trans-140.2154.1-18000000112.5G236 L280 D281G236-G268 PolarHBondContact N-O 3.47Å; G236-G268 PolarHBondContact O-N 2.72Å; G268-L280 CarbonylContact C-O 3.47Å; G268-L280 VanDerWaalsContact CA-O 3.25Å; G268-L280 WeakPolarHBondContact CA-O 3.47Å; G268-D281 VanDerWaalsContact CA-OD1 3.28Å; G268-D281 WeakPolarHBondContact CA-OD1 3.42Å
269V98.8Very high97.6Very high38 Ų3849.2 Ų49.223%0.2325%0.249CC..EExtended strand (participates in β ladder)trans-134.2139.4166.8580000108.7W233 T234 L235 A279 L280W233-V269 HydrophobicContact CE3-CG2 3.62Å; W233-V269 HydrophobicContact CZ3-CG2 3.67Å; T234-V269 CarbonylContact O-C 3.55Å; T234-V269 WeakPolarHBondContact O-CA 3.48Å; L235-V269 HydrophobicContact CD2-CB 3.97Å; L235-V269 HydrophobicContact CD2-CG2 3.79Å; V269-A279 CarbonylContact O-C 3.59Å; V269-A279 VanDerWaalsContact O-CA 3.29Å; V269-A279 WeakPolarHBondContact O-CA 3.16Å; V269-L280 HydrophobicContact CG1-CB 3.95Å; V269-L280 HydrophobicContact CG1-CD2 4.33Å; V269-L280 PolarHBondContact N-O 3.36Å; V269-L280 PolarHBondContact O-N 2.94Å
270S98.6Very high97.7Very high4 Ų452.8 Ų52.83%0.02827%0.268CS..EExtended strand (participates in β ladder)trans-129.8146.9171.5600000111.5A7 W233 T234 T278A7-S270 PolarHBondContact O-OG 2.91Å; W233-S270 WeakPolarHBondContact CA-O 3.34Å; T234-S270 PolarHBondContact N-O 2.96Å; T234-S270 PolarHBondContact O-N 3.04Å; S270-T278 CarbonylContact C-O 3.56Å; S270-T278 WeakPolarHBondContact CA-O 3.28Å; S270-T278 WeakPolarHBondContact CB-O 3.33Å
271W98.5Very high97.8Very high75 Ų7547.6 Ų47.628%0.28425%0.249SC..EExtended strand (participates in β ladder)trans-120.9129.7167177.682.6000108.6N232 W233 N273 F276 T277 T278N232-W271 CarbonylContact O-C 3.59Å; N232-W271 WeakPolarHBondContact O-CA 3.3Å; W233-W271 AromaticContact CD1-CD1 3.72Å; W233-W271 HydrophobicContact CD2-CB 4.13Å; W233-W271 AromaticContact CD2-CD1 3.79Å; W233-W271 HydrophobicContact CD2-CG 4.37Å; W233-W271 AromaticContact CE2-CD1 3.38Å; W233-W271 HydrophobicContact CE3-CB 4.03Å; W233-W271 AromaticContact CG-CD1 4Å; W233-W271 HydrophobicContact CH2-CB 4.11Å; W233-W271 HydrophobicContact CZ2-CB 4.21Å; W233-W271 AromaticContact CZ2-CD1 3.83Å; W233-W271 HydrophobicContact CZ2-CG 4.19Å; W233-W271 HydrophobicContact CZ3-CB 4.02Å; W233-W271 AromaticContact NE1-CD1 3.34Å; W233-W271 VanDerWaalsContact NE1-CD1 3.34Å; W233-W271 AromaticContact NE1-NE1 3.9Å; W271-N273 HydrophobicContact CH2-CB 4.34Å; W271-N273 VanDerWaalsContact CH2-ND2 3.27Å; W271-N273 WeakPolarHBondContact CH2-ND2 3.32Å; W271-F276 HydrophobicContact CZ3-CB 4.21Å; W271-T277 CarbonylContact O-C 3.59Å; W271-T277 WeakPolarHBondContact O-CA 3.33Å; W271-T278 PolarHBondContact N-O 3.37Å; W271-T278 PolarHBondContact O-N 2.79Å; W271-T278 PolarHBondContact O-OG1 2.71Å
272H97.1Very high97.8Very high70 Ų7049.6 Ų49.632%0.32426%0.262SS..EExtended strand (participates in β ladder)trans-136.1155.3178.775.584.1000113.4D231 N232 F276 T277D231-H272 PolarHBondContact O-CE1 3.48Å; N232-H272 WeakPolarHBondContact CA-O 3.13Å; N232-H272 WeakPolarHBondContact CB-O 3.02Å; N232-H272 PolarHBondContact ND2-O 3.21Å; N232-H272 PolarHBondContact O-CD2 3Å; N232-H272 PolarHBondContact O-N 2.75Å; H272-F276 CarbonylContact C-O 3.46Å; H272-F276 VanDerWaalsContact CA-O 3.25Å; H272-F276 WeakPolarHBondContact CA-O 3.48Å; H272-T277 HydrophobicContact CB-CG2 4.19Å; H272-T277 WeakPolarHBondContact CB-OG1 3.35Å
273N95.3Very high97.8Very high53 Ų5349.5 Ų49.528%0.28326%0.264SS..  trans-141.5-172.7161.969.623.2000108.9W271 M275 F276W271-N273 HydrophobicContact CH2-CB 4.34Å; W271-N273 VanDerWaalsContact CH2-ND2 3.27Å; W271-N273 WeakPolarHBondContact CH2-ND2 3.32Å; N273-M275 PolarHBondContact O-N 3.44Å; N273-M275 VanDerWaalsContact O-N 3.11Å; N273-M275 PolarHBondContact OD1-N 3.37Å; N273-F276 PolarHBondContact N-O 3.38Å; N273-F276 PolarHBondContact OD1-N 2.61Å
274D91.4Very high97.8Very high141 Ų14151.6 Ų51.675%0.75427%0.272SS*.SBendtrans-57.8-27.2-177.6-68.8-13.7000114.8
275M94.7Very high97.8Very high104 Ų10451.6 Ų51.651%0.51227%0.274SS..SBendtrans-110.1-25.3-174.9-69.8-169.6-68.300113.8N273 F305 N306N273-M275 PolarHBondContact O-N 3.44Å; N273-M275 VanDerWaalsContact O-N 3.11Å; N273-M275 PolarHBondContact OD1-N 3.37Å; M275-F305 HydrophobicContact CB-CE2 4.39Å; M275-F305 CarbonylContact O-C 3.51Å; M275-F305 WeakPolarHBondContact O-CA 3.41Å; M275-F305 WeakPolarHBondContact O-CD2 3.45Å; M275-N306 PolarHBondContact O-N 3.44Å
276F97.2Very high97.7Very high90 Ų9051.1 Ų51.140%0.39527%0.272SS..EExtended strand (participates in β ladder)trans-135.2137.9-169.7-66.2-80.2000110.7W271 H272 N273 E304 F305W271-F276 HydrophobicContact CZ3-CB 4.21Å; H272-F276 CarbonylContact C-O 3.46Å; H272-F276 VanDerWaalsContact CA-O 3.25Å; H272-F276 WeakPolarHBondContact CA-O 3.48Å; N273-F276 PolarHBondContact N-O 3.38Å; N273-F276 PolarHBondContact OD1-N 2.61Å; F276-E304 WeakPolarHBondContact CA-O 3.48Å; F276-F305 HydrophobicContact CD1-CB 4.35Å; F276-F305 AromaticContact CD1-CD2 3.83Å; F276-F305 HydrophobicContact CD1-CD2 3.83Å; F276-F305 HydrophobicContact CE1-CB 4.2Å; F276-F305 AromaticContact CE1-CD2 3.29Å; F276-F305 HydrophobicContact CE1-CD2 3.29Å; F276-F305 AromaticContact CE1-CE2 4Å; F276-F305 HydrophobicContact CE1-CE2 4Å; F276-F305 HydrophobicContact CE1-CG 4.1Å; F276-F305 HydrophobicContact CE2-CD2 4.24Å; F276-F305 HydrophobicContact CE2-CE2 4.28Å; F276-F305 HydrophobicContact CG-CD2 4.5Å; F276-F305 AromaticContact CZ-CD2 3.53Å; F276-F305 HydrophobicContact CZ-CD2 3.53Å; F276-F305 AromaticContact CZ-CE2 3.73Å; F276-F305 HydrophobicContact CZ-CE2 3.73Å
277T98Very high97.6Very high28 Ų2851.2 Ų51.217%0.17227%0.274CS..EExtended strand (participates in β ladder)trans-125.5135164.8-62.80000108.2W271 H272 A303 E304W271-T277 CarbonylContact O-C 3.59Å; W271-T277 WeakPolarHBondContact O-CA 3.33Å; H272-T277 HydrophobicContact CB-CG2 4.19Å; H272-T277 WeakPolarHBondContact CB-OG1 3.35Å; T277-A303 CarbonylContact O-C 3.47Å; T277-A303 WeakPolarHBondContact O-CA 3.44Å; T277-E304 PolarHBondContact N-O 3.14Å; T277-E304 PolarHBondContact O-N 3.21Å
278T98.6Very high97.6Very high58 Ų5849.1 Ų49.136%0.35626%0.262SS..EExtended strand (participates in β ladder)trans-126.2147172.263.50000108.9S270 W271 G302 A303S270-T278 CarbonylContact C-O 3.56Å; S270-T278 WeakPolarHBondContact CA-O 3.28Å; S270-T278 WeakPolarHBondContact CB-O 3.33Å; W271-T278 PolarHBondContact N-O 3.37Å; W271-T278 PolarHBondContact O-N 2.79Å; W271-T278 PolarHBondContact O-OG1 2.71Å; T278-G302 CarbonylContact C-O 3.54Å; T278-G302 WeakPolarHBondContact CA-O 3.26Å; T278-A303 HydrophobicContact CG2-CB 4.12Å
279A98.8Very high97.5Very high4 Ų449.3 Ų49.33%0.03326%0.264CS..EExtended strand (participates in β ladder)trans-148148.6-178.100000111.8T4 V269 V301 G302T4-A279 HydrophobicContact CG2-CB 4.26Å; T4-A279 WeakPolarHBondContact OG1-CB 3.16Å; V269-A279 CarbonylContact O-C 3.59Å; V269-A279 VanDerWaalsContact O-CA 3.29Å; V269-A279 WeakPolarHBondContact O-CA 3.16Å; A279-V301 CarbonylContact O-C 3.46Å; A279-V301 WeakPolarHBondContact O-CA 3.49Å; A279-G302 PolarHBondContact N-O 2.98Å; A279-G302 PolarHBondContact O-N 3.23Å
280L98.8Very high97.3Very high82 Ų8247.6 Ų47.643%0.42925%0.253SS..EExtended strand (participates in β ladder)trans-133.5121.6174.2172.172.6000108.4G268 V269 A300 V301G268-L280 CarbonylContact C-O 3.47Å; G268-L280 VanDerWaalsContact CA-O 3.25Å; G268-L280 WeakPolarHBondContact CA-O 3.47Å; V269-L280 HydrophobicContact CG1-CB 3.95Å; V269-L280 HydrophobicContact CG1-CD2 4.33Å; V269-L280 PolarHBondContact N-O 3.36Å; V269-L280 PolarHBondContact O-N 2.94Å; L280-A300 CarbonylContact C-O 3.56Å; L280-A300 VanDerWaalsContact CA-O 3.3Å; L280-A300 WeakPolarHBondContact CA-O 3.41Å; L280-A300 WeakPolarHBondContact CD1-O 3.43Å; L280-V301 HydrophobicContact CD1-CB 4.29Å
281D98.8Very high97.1Very high9 Ų950.8 Ų50.85%0.04827%0.273CS..EExtended strand (participates in β ladder)trans-119.5142.9174.8-70.43.5000110.3T4 G5 V6 T266 T267 G268 A299 A300T4-D281 WeakPolarHBondContact CA-OD2 3.5Å; T4-D281 HydrophobicContact CG2-CB 4.03Å; G5-D281 PolarHBondContact N-OD2 2.64Å; V6-D281 WeakPolarHBondContact CB-OD2 2.99Å; V6-D281 WeakPolarHBondContact CG2-OD2 3.43Å; V6-D281 PolarHBondContact N-OD2 3.41Å; T266-D281 HydrophobicContact CG2-CB 4.14Å; T267-D281 CarbonylContact O-C 3.49Å; T267-D281 WeakPolarHBondContact O-CA 3.34Å; G268-D281 VanDerWaalsContact CA-OD1 3.28Å; G268-D281 WeakPolarHBondContact CA-OD1 3.42Å; D281-A299 CarbonylContact O-C 3.49Å; D281-A299 WeakPolarHBondContact O-CA 3.32Å; D281-A300 PolarHBondContact N-O 3.43Å; D281-A300 PolarHBondContact O-N 2.7Å
282V98.8Very high96.7Very high45 Ų4550 Ų5027%0.27328%0.278SS..EExtended strand (participates in β ladder)trans-133.6118.5176.7-177.10000109.6T266 T267 L284 A299 L321T266-V282 WeakPolarHBondContact CA-O 3.26Å; T266-V282 WeakPolarHBondContact CG2-O 3.35Å; T267-V282 HydrophobicContact CG2-CB 4.25Å; T267-V282 PolarHBondContact N-O 3.04Å; T267-V282 PolarHBondContact O-N 3.25Å; V282-L284 HydrophobicContact CG1-CD2 4.41Å; V282-L284 PolarHBondContact O-N 3.4Å; V282-A299 HydrophobicContact CG2-CB 4.27Å; V282-L321 HydrophobicContact CG1-CD1 4.27Å
283D98.6Very high96.4Very high34 Ų3448 Ų4818%0.18227%0.27CS..EExtended strand (participates in β ladder)trans-69.3117.4170.4-66.5-25.5000108.9T266 Q297 F298T266-D283 WeakPolarHBondContact CG2-OD1 3.28Å; T266-D283 PolarHBondContact OG1-OD1 3.38Å; D283-Q297 HydrophobicContact CB-CG 3.69Å; D283-Q297 VanDerWaalsContact O-CG 3.24Å; D283-Q297 WeakPolarHBondContact O-CG 3.42Å; D283-Q297 PolarHBondContact O-NE2 3.19Å; D283-F298 WeakPolarHBondContact CB-O 3.37Å; D283-F298 PolarHBondContact N-O 3.21Å; D283-F298 PolarHBondContact OD2-N 2.78Å
284L98.4Very high96.2Very high93 Ų9349.9 Ų49.949%0.48729%0.287SS..SBendtrans-82.1-20.6176.7-55.5-175.7000111.9V265 T267 V282 Q297V265-L284 HydrophobicContact CB-CB 4.25Å; V265-L284 HydrophobicContact CG1-CB 4.39Å; V265-L284 HydrophobicContact CG1-CD1 3.91Å; V265-L284 HydrophobicContact CG1-CG 4.46Å; V265-L284 PolarHBondContact O-N 3.48Å; T267-L284 HydrophobicContact CG2-CD2 4.12Å; T267-L284 HydrophobicContact CG2-CG 4.48Å; V282-L284 HydrophobicContact CG1-CD2 4.41Å; V282-L284 PolarHBondContact O-N 3.4Å; L284-Q297 VanDerWaalsContact C-NE2 3.28Å; L284-Q297 PolarHBondContact O-NE2 3.31Å
285T98.3Very high96.3Very high41 Ų4149.1 Ų49.125%0.25228%0.277SS..SBendtrans-132.8151.4179.357.50000111.6P263 Q264 V265P263-T285 PolarHBondContact O-OG1 3.36Å; Q264-T285 VanDerWaalsContact CA-OG1 3.28Å; Q264-T285 WeakPolarHBondContact CA-OG1 3.33Å; V265-T285 HydrophobicContact CB-CG2 4.25Å; V265-T285 HydrophobicContact CG2-CG2 4.18Å; V265-T285 PolarHBondContact N-OG1 2.89Å; V265-T285 PolarHBondContact O-N 3.35Å
286P97.5Very high96.3Very high30 Ų3047.6 Ų47.620%0.19527%0.266CS..PPolyproline II helixtrans-64147.4178-21.432.8000114K295 R296P286-K295 HydrophobicContact CB-CB 4.23Å; P286-K295 HydrophobicContact CB-CD 4.32Å; P286-K295 HydrophobicContact CB-CG 4.36Å; P286-K295 HydrophobicContact CG-CD 4.01Å; P286-R296 CarbonylContact C-O 3.49Å; P286-R296 WeakPolarHBondContact CA-O 3.31Å
287A96.9Very high96.3Very high12 Ų1245.3 Ų45.310%0.09926%0.256CS..PPolyproline II helixtrans-61.6157.6174.100000113.3R262 R296R262-A287 PolarHBondContact NH1-O 3.5Å; A287-R296 HydrophobicContact CB-CB 4.27Å; A287-R296 PolarHBondContact N-O 3.13Å
288S97.3Very high96.2Very high15 Ų1545.4 Ų45.411%0.10526%0.255CS..SBendtrans-63.2148.3168.2-60.40000111.3R260 I261 R262 Q264 R296R260-S288 WeakPolarHBondContact O-CA 3.42Å; R260-S288 WeakPolarHBondContact O-CB 3.48Å; I261-S288 WeakPolarHBondContact CA-OG 3.16Å; R262-S288 PolarHBondContact N-OG 3.29Å; R262-S288 PolarHBondContact O-OG 2.94Å; Q264-S288 PolarHBondContact OE1-OG 3.19Å; S288-R296 PolarHBondContact O-NH2 3.33Å
289G96.6Very high96.2Very high9 Ų943.9 Ų43.99%0.09325%0.247CC..EExtended strand (participates in β ladder)trans169176.2-17500000112.8F259 R260F259-G289 VanDerWaalsContact CE2-CA 3.45Å; R260-G289 PolarHBondContact N-O 3.49Å; R260-G289 PolarHBondContact O-N 2.91Å; R260-G289 VanDerWaalsContact O-N 3.17Å
290F95.4Very high96.2Very high2 Ų244 Ų441%0.00925%0.249CC..EExtended strand (participates in β ladder)trans-63.5147.6171.7-67.2-81.2000111R157 A159 T249 E257 T258 F259 S292 D293R157-F290 HydrophobicContact CB-CE1 4.2Å; R157-F290 HydrophobicContact CB-CE2 3.97Å; R157-F290 HydrophobicContact CB-CZ 3.77Å; R157-F290 VanDerWaalsContact CD-CD2 3.45Å; R157-F290 VanDerWaalsContact CD-CG 3.41Å; R157-F290 HydrophobicContact CG-CD2 3.81Å; R157-F290 HydrophobicContact CG-CE1 4.38Å; R157-F290 HydrophobicContact CG-CE2 3.64Å; R157-F290 HydrophobicContact CG-CG 4.26Å; R157-F290 HydrophobicContact CG-CZ 3.95Å; A159-F290 HydrophobicContact CB-CE2 4.16Å; A159-F290 HydrophobicContact CB-CZ 4.09Å; T249-F290 HydrophobicContact CG2-CE1 4.06Å; E257-F290 HydrophobicContact CB-CD1 4.21Å; E257-F290 HydrophobicContact CB-CE1 4.38Å; T258-F290 CarbonylContact O-C 3.59Å; T258-F290 VanDerWaalsContact O-CA 3.31Å; T258-F290 WeakPolarHBondContact O-CA 3.47Å; F259-F290 HydrophobicContact CB-CD1 4.02Å; F259-F290 HydrophobicContact CB-CE1 3.96Å; F259-F290 AromaticContact CD2-CD1 3.96Å; F259-F290 HydrophobicContact CD2-CD1 3.96Å; F259-F290 AromaticContact CD2-CD2 3.82Å; F259-F290 HydrophobicContact CD2-CD2 3.82Å; F259-F290 AromaticContact CD2-CE1 3.97Å; F259-F290 HydrophobicContact CD2-CE1 3.97Å; F259-F290 AromaticContact CD2-CE2 3.83Å; F259-F290 HydrophobicContact CD2-CE2 3.83Å; F259-F290 AromaticContact CD2-CG 3.88Å; F259-F290 HydrophobicContact CD2-CG 3.88Å; F259-F290 AromaticContact CD2-CZ 3.91Å; F259-F290 HydrophobicContact CD2-CZ 3.91Å; F259-F290 HydrophobicContact CE2-CD2 4.27Å; F259-F290 HydrophobicContact CE2-CE2 4.3Å; F259-F290 HydrophobicContact CG-CE1 4.48Å; F290-S292 VanDerWaalsContact C-N 3.28Å; F290-D293 HydrophobicContact CB-CB 4.47Å; F290-D293 WeakPolarHBondContact CB-OD2 3.45Å; F290-D293 PolarHBondContact O-N 2.84Å
291T94.4Very high96.2Very high72 Ų7243.7 Ų43.744%0.44225%0.25SS..SBendtrans-74.2-21.1-179.951.60000113.3T258 R260T258-T291 HydrophobicContact CG2-CG2 4.13Å; T258-T291 PolarHBondContact O-N 3.47Å; T258-T291 PolarHBondContact O-OG1 2.94Å; R260-T291 HydrophobicContact CB-CG2 4.05Å
292S89.8Confident96.2Very high58 Ų5843.6 Ų43.641%0.40625%0.251SS..SBendtrans-79.9-19.917442.30000113.1E257 F290E257-S292 WeakPolarHBondContact OE2-CB 3.4Å; E257-S292 PolarHBondContact OE2-OG 3.13Å; F290-S292 VanDerWaalsContact C-N 3.28Å
293D90.3Very high96.2Very high29 Ų2943 Ų4316%0.15525%0.251CS..SBendtrans-75.1149.9175.4-72.6-30.1000111.9H90 S121 R157 F290 K295H90-D293 IonicContact CE1-OD1 2.64Å; H90-D293 PolarHBondContact CE1-OD1 3.34Å; S121-D293 PolarHBondContact OG-OD1 3.43Å; S121-D293 PolarHBondContact OG-OD2 3.08Å; R157-D293 IonicContact CZ-OD1 2.92Å; R157-D293 IonicContact NE-OD1 2.76Å; R157-D293 IonicContact NE-OD2 3.43Å; R157-D293 IonicContact NH2-OD1 3.47Å; R157-D293 PolarHBondContact NH2-OD1 3.44Å; F290-D293 HydrophobicContact CB-CB 4.47Å; F290-D293 WeakPolarHBondContact CB-OD2 3.45Å; F290-D293 PolarHBondContact O-N 2.84Å; D293-K295 PolarHBondContact O-N 2.88Å
294S90.9Very high96.2Very high91 Ų9142.8 Ų42.864%0.63625%0.249SC*.PPolyproline II helixtrans-55.7135.6164.2-70.10000110.6
295K94.2Very high96.1Very high126 Ų12642 Ų4255%0.54824%0.241SC..PPolyproline II helixtrans-62.2146.9176.4-68.9177-176.2173.90110.1P286 D293 A322P286-K295 HydrophobicContact CB-CB 4.23Å; P286-K295 HydrophobicContact CB-CD 4.32Å; P286-K295 HydrophobicContact CB-CG 4.36Å; P286-K295 HydrophobicContact CG-CD 4.01Å; D293-K295 PolarHBondContact O-N 2.88Å; K295-A322 HydrophobicContact CB-CB 3.89Å; K295-A322 VanDerWaalsContact O-CB 3.32Å; K295-A322 WeakPolarHBondContact O-CB 3.47Å
296R94.3Very high95.9Very high71 Ų7141.9 Ų41.927%0.26824%0.24SC..  trans-119.2127.6174.4-66.1-180-65134.4-2.6109P286 A287 S288 F298P286-R296 CarbonylContact C-O 3.49Å; P286-R296 WeakPolarHBondContact CA-O 3.31Å; A287-R296 HydrophobicContact CB-CB 4.27Å; A287-R296 PolarHBondContact N-O 3.13Å; S288-R296 PolarHBondContact O-NH2 3.33Å; R296-F298 HydrophobicContact CB-CE2 3.87Å; R296-F298 HydrophobicContact CB-CZ 4.4Å
297Q97Very high95.6Very high42 Ų4241 Ų4120%0.19623%0.234CC..  trans-154.7119.2179.8-176.5176.53.300106.4D283 L284 N320 L321 A322D283-Q297 HydrophobicContact CB-CG 3.69Å; D283-Q297 VanDerWaalsContact O-CG 3.24Å; D283-Q297 WeakPolarHBondContact O-CG 3.42Å; D283-Q297 PolarHBondContact O-NE2 3.19Å; L284-Q297 VanDerWaalsContact C-NE2 3.28Å; L284-Q297 PolarHBondContact O-NE2 3.31Å; Q297-N320 PolarHBondContact N-OD1 3.46Å; Q297-N320 CarbonylContact O-C 3.57Å; Q297-N320 PolarHBondContact O-OD1 3.26Å; Q297-N320 VanDerWaalsContact O-OD1 3.1Å; Q297-L321 HydrophobicContact CG-CD1 4.48Å; Q297-L321 WeakPolarHBondContact O-CB 3.24Å; Q297-L321 PolarHBondContact O-N 3.26Å; Q297-A322 HydrophobicContact CB-CB 3.96Å
298F97.2Very high95Very high31 Ų3150.1 Ų50.114%0.13627%0.266CS..EExtended strand (participates in β ladder)trans-111.8146.5-169.8-65.3-87.2000112.9D283 R296 R318 Q319 N320D283-F298 WeakPolarHBondContact CB-O 3.37Å; D283-F298 PolarHBondContact N-O 3.21Å; D283-F298 PolarHBondContact OD2-N 2.78Å; R296-F298 HydrophobicContact CB-CE2 3.87Å; R296-F298 HydrophobicContact CB-CZ 4.4Å; F298-R318 HydrophobicContact CD1-CB 4.22Å; F298-R318 HydrophobicContact CD1-CG 4.24Å; F298-Q319 VanDerWaalsContact CA-O 3.26Å; F298-Q319 WeakPolarHBondContact CA-O 3.46Å; F298-N320 HydrophobicContact CD1-CB 4.07Å; F298-N320 HydrophobicContact CE1-CB 3.69Å; F298-N320 HydrophobicContact CZ-CB 4.34Å
299A98.4Very high94.4Very high25 Ų2557 Ų5721%0.20729%0.294CS..EExtended strand (participates in β ladder)trans-104.3131.9150.900000107.7D281 V282 R318 Q319 L321D281-A299 CarbonylContact O-C 3.49Å; D281-A299 WeakPolarHBondContact O-CA 3.32Å; V282-A299 HydrophobicContact CG2-CB 4.27Å; A299-R318 CarbonylContact O-C 3.57Å; A299-R318 WeakPolarHBondContact O-CA 3.25Å; A299-Q319 PolarHBondContact N-O 2.89Å; A299-Q319 PolarHBondContact O-N 3.34Å; A299-L321 HydrophobicContact CB-CD1 4.09Å; A299-L321 HydrophobicContact CB-CD2 4Å; A299-L321 HydrophobicContact CB-CG 4.26Å
300A98.5Very high94.1Very high7 Ų762.9 Ų62.96%0.05831%0.314CS..EExtended strand (participates in β ladder)trans-130.1138-178.200000110.6G2 T4 L280 D281 Y317 R318G2-A300 WeakPolarHBondContact O-CB 3.36Å; T4-A300 HydrophobicContact CG2-CB 3.74Å; T4-A300 VanDerWaalsContact CG2-O 3.23Å; T4-A300 WeakPolarHBondContact CG2-O 3.24Å; L280-A300 CarbonylContact C-O 3.56Å; L280-A300 VanDerWaalsContact CA-O 3.3Å; L280-A300 WeakPolarHBondContact CA-O 3.41Å; L280-A300 WeakPolarHBondContact CD1-O 3.43Å; D281-A300 PolarHBondContact N-O 3.43Å; D281-A300 PolarHBondContact O-N 2.7Å; A300-Y317 CarbonylContact C-O 3.56Å; A300-Y317 WeakPolarHBondContact CA-O 3.44Å; A300-R318 HydrophobicContact CB-CB 4.01Å
301V98.7Very high94.1Very high76 Ų7663.6 Ų63.646%0.46132%0.32SS..EExtended strand (participates in β ladder)trans-126.1142.5172.663.30000108.9A279 L280 G316 Y317A279-V301 CarbonylContact O-C 3.46Å; A279-V301 WeakPolarHBondContact O-CA 3.49Å; L280-V301 HydrophobicContact CD1-CB 4.29Å; V301-G316 CarbonylContact O-C 3.57Å; V301-G316 WeakPolarHBondContact O-CA 3.19Å; V301-Y317 PolarHBondContact N-O 2.72Å; V301-Y317 PolarHBondContact O-N 2.95Å
302G98.7Very high94.2Very high6 Ų660.9 Ų60.96%0.06230%0.302CS..EExtended strand (participates in β ladder)trans-157.7164.5177.300000113.6T278 A279 T315T278-G302 CarbonylContact C-O 3.54Å; T278-G302 WeakPolarHBondContact CA-O 3.26Å; A279-G302 PolarHBondContact N-O 2.98Å; A279-G302 PolarHBondContact O-N 3.23Å; G302-T315 VanDerWaalsContact CA-O 3.3Å; G302-T315 WeakPolarHBondContact CA-O 3.28Å
303A98.6Very high94.6Very high33 Ų3362.9 Ų62.927%0.27331%0.308SS..EExtended strand (participates in β ladder)trans-138.6147.9177.900000110.5T277 T278 R314 T315T277-A303 CarbonylContact O-C 3.47Å; T277-A303 WeakPolarHBondContact O-CA 3.44Å; T278-A303 HydrophobicContact CG2-CB 4.12Å; A303-R314 WeakPolarHBondContact O-CA 3.49Å; A303-T315 HydrophobicContact CB-CG2 4.35Å; A303-T315 PolarHBondContact N-O 2.92Å; A303-T315 PolarHBondContact O-N 2.91Å
304E98.1Very high94.9Very high29 Ų2963.7 Ų63.714%0.13631%0.309CS..EExtended strand (participates in β ladder)trans-123134.2170.9-179.3178.2129.800108.7M1 F276 T277 Q312 L313 R314M1-E304 HydrophobicContact CG-CB 4.5Å; M1-E304 HydrophobicContact SD-CB 3.88Å; F276-E304 WeakPolarHBondContact CA-O 3.48Å; T277-E304 PolarHBondContact N-O 3.14Å; T277-E304 PolarHBondContact O-N 3.21Å; E304-Q312 HydrophobicContact CG-CB 4.2Å; E304-Q312 HydrophobicContact CG-CG 4.45Å; E304-Q312 WeakPolarHBondContact OE1-CG 3.28Å; E304-L313 CarbonylContact C-O 3.59Å; E304-L313 WeakPolarHBondContact CA-O 3.29Å; E304-R314 HydrophobicContact CB-CG 3.97Å; E304-R314 HydrophobicContact CG-CG 3.8Å; E304-R314 IonicContact OE1-NH2 2.57Å; E304-R314 IonicContact OE2-CZ 3.95Å; E304-R314 IonicContact OE2-NE 2.63Å; E304-R314 PolarHBondContact OE2-NE 3.21Å; E304-R314 IonicContact OE2-NH2 3.33Å; E304-R314 PolarHBondContact OE2-NH2 3.36Å
305F97.8Very high95.3Very high76 Ų7663.3 Ų63.333%0.33330%0.303SS..EExtended strand (participates in β ladder)trans-106.8117165.8175.1-116.7000108.7M275 F276 A307 Q312 L313M275-F305 HydrophobicContact CB-CE2 4.39Å; M275-F305 CarbonylContact O-C 3.51Å; M275-F305 WeakPolarHBondContact O-CA 3.41Å; M275-F305 WeakPolarHBondContact O-CD2 3.45Å; F276-F305 HydrophobicContact CD1-CB 4.35Å; F276-F305 AromaticContact CD1-CD2 3.83Å; F276-F305 HydrophobicContact CD1-CD2 3.83Å; F276-F305 HydrophobicContact CE1-CB 4.2Å; F276-F305 AromaticContact CE1-CD2 3.29Å; F276-F305 HydrophobicContact CE1-CD2 3.29Å; F276-F305 AromaticContact CE1-CE2 4Å; F276-F305 HydrophobicContact CE1-CE2 4Å; F276-F305 HydrophobicContact CE1-CG 4.1Å; F276-F305 HydrophobicContact CE2-CD2 4.24Å; F276-F305 HydrophobicContact CE2-CE2 4.28Å; F276-F305 HydrophobicContact CG-CD2 4.5Å; F276-F305 AromaticContact CZ-CD2 3.53Å; F276-F305 HydrophobicContact CZ-CD2 3.53Å; F276-F305 AromaticContact CZ-CE2 3.73Å; F276-F305 HydrophobicContact CZ-CE2 3.73Å; F305-A307 HydrophobicContact CD1-CB 4Å; F305-A307 HydrophobicContact CE1-CB 3.51Å; F305-A307 HydrophobicContact CZ-CB 4.15Å; F305-Q312 CarbonylContact O-C 3.5Å; F305-Q312 WeakPolarHBondContact O-CA 3.27Å; F305-L313 PolarHBondContact N-O 3.4Å; F305-L313 PolarHBondContact O-N 2.85Å
306N94Very high95.5Very high40 Ų4057.6 Ų57.621%0.21428%0.28CS..EExtended strand (participates in β ladder)trans-94.696.8177.8-169-0.3000109.9M275 W308 K309 Q312M275-N306 PolarHBondContact O-N 3.44Å; N306-W308 PolarHBondContact O-N 3.38Å; N306-K309 WeakPolarHBondContact OD1-CA 3.24Å; N306-K309 PolarHBondContact OD1-N 2.92Å; N306-Q312 PolarHBondContact OD1-NE2 2.88Å
307A89.8Confident95.7Very high10 Ų1057.6 Ų57.68%0.08328%0.281CS..EExtended strand (participates in β ladder)trans-86.7109.4-179.100000110F305 K309 A311F305-A307 HydrophobicContact CD1-CB 4Å; F305-A307 HydrophobicContact CE1-CB 3.51Å; F305-A307 HydrophobicContact CZ-CB 4.15Å; A307-K309 PolarHBondContact O-N 3.26Å; A307-K309 VanDerWaalsContact O-N 3.15Å; A307-A311 WeakPolarHBondContact CA-O 3.25Å; A307-A311 HydrophobicContact CB-CB 4.39Å; A307-A311 WeakPolarHBondContact CB-O 3.27Å; A307-A311 PolarHBondContact N-O 3.3Å; A307-A311 PolarHBondContact O-N 3.44Å
308W85.6Confident95.7Very high205 Ų20557.5 Ų57.578%0.77728%0.278SS*.THydrogen-bonded Turntrans58.325.5175.9-50-82.6000115.1N306 W310N306-W308 PolarHBondContact O-N 3.38Å; W308-W310 VanDerWaalsContact O-CD1 3.31Å; W308-W310 PolarHBondContact O-N 2.86Å
309K84.2Confident95.6Very high158 Ų15859.1 Ų59.169%0.68729%0.286SS*.THydrogen-bonded Turntrans67.8-16.3-179.5-54.6-174.1174.6-169.80116.3N306 A307 Q312 S336N306-K309 WeakPolarHBondContact OD1-CA 3.24Å; N306-K309 PolarHBondContact OD1-N 2.92Å; A307-K309 PolarHBondContact O-N 3.26Å; A307-K309 VanDerWaalsContact O-N 3.15Å; K309-Q312 PolarHBondContact O-NE2 3.17Å; K309-Q312 VanDerWaalsContact O-NE2 3.08Å; K309-S336 PolarHBondContact O-OG 2.93Å
310W89.9Confident95.4Very high133 Ų13358.3 Ų58.350%0.50428%0.279SS..THydrogen-bonded Turntrans-107.8-11.1-177.172.8-90.8000114W308 L335 S336W308-W310 VanDerWaalsContact O-CD1 3.31Å; W308-W310 PolarHBondContact O-N 2.86Å; W310-L335 HydrophobicContact CE3-CD2 3.96Å; W310-L335 HydrophobicContact CZ3-CD2 3.65Å; W310-L335 CarbonylContact O-C 3.55Å; W310-L335 WeakPolarHBondContact O-CA 3.43Å; W310-S336 WeakPolarHBondContact CA-OG 3.36Å; W310-S336 PolarHBondContact O-N 2.97Å; W310-S336 PolarHBondContact O-OG 3.43Å
311A95.5Very high95.3Very high17 Ų1762.4 Ų62.414%0.1430%0.299CS..EExtended strand (participates in β ladder)trans-132.1126.8178.800000110.5A307 G334 L335A307-A311 WeakPolarHBondContact CA-O 3.25Å; A307-A311 HydrophobicContact CB-CB 4.39Å; A307-A311 WeakPolarHBondContact CB-O 3.27Å; A307-A311 PolarHBondContact N-O 3.3Å; A307-A311 PolarHBondContact O-N 3.44Å; A311-G334 CarbonylContact C-O 3.51Å; A311-G334 WeakPolarHBondContact CA-O 3.49Å; A311-L335 HydrophobicContact CB-CD2 4.12Å
312Q96.4Very high95Very high15 Ų1560.8 Ų60.87%0.0729%0.294CS..EExtended strand (participates in β ladder)trans-118.8131.1-178.4-65.377.231.800110E304 F305 N306 K309 I333 G334 S336E304-Q312 HydrophobicContact CG-CB 4.2Å; E304-Q312 HydrophobicContact CG-CG 4.45Å; E304-Q312 WeakPolarHBondContact OE1-CG 3.28Å; F305-Q312 CarbonylContact O-C 3.5Å; F305-Q312 WeakPolarHBondContact O-CA 3.27Å; N306-Q312 PolarHBondContact OD1-NE2 2.88Å; K309-Q312 PolarHBondContact O-NE2 3.17Å; K309-Q312 VanDerWaalsContact O-NE2 3.08Å; Q312-I333 CarbonylContact O-C 3.58Å; Q312-I333 VanDerWaalsContact O-CA 3.3Å; Q312-I333 WeakPolarHBondContact O-CA 3.47Å; Q312-G334 PolarHBondContact N-O 2.96Å; Q312-G334 PolarHBondContact O-N 2.78Å; Q312-G334 PolarHBondContact OE1-O 3.43Å; Q312-S336 VanDerWaalsContact CD-OG 3.28Å; Q312-S336 PolarHBondContact NE2-OG 2.67Å; Q312-S336 PolarHBondContact OE1-OG 3.16Å
313L97.7Very high94.5Very high101 Ų10162 Ų6253%0.52930%0.301SS..EExtended strand (participates in β ladder)trans-110.7126.2170179.466000109E304 F305 I333E304-L313 CarbonylContact C-O 3.59Å; E304-L313 WeakPolarHBondContact CA-O 3.29Å; F305-L313 PolarHBondContact N-O 3.4Å; F305-L313 PolarHBondContact O-N 2.85Å; L313-I333 HydrophobicContact CD1-CG1 4.11Å
314R97.7Very high93.7Very high46 Ų4667.5 Ų67.517%0.17433%0.326CS..EExtended strand (participates in β ladder)trans-119.3138.8-177.7-63.7177.8-176.492.96.3110.8M1 A303 E304 A331 G332 D344M1-R314 HydrophobicContact CG-CB 4.28Å; M1-R314 HydrophobicContact CG-CG 4.24Å; A303-R314 WeakPolarHBondContact O-CA 3.49Å; E304-R314 HydrophobicContact CB-CG 3.97Å; E304-R314 HydrophobicContact CG-CG 3.8Å; E304-R314 IonicContact OE1-NH2 2.57Å; E304-R314 IonicContact OE2-CZ 3.95Å; E304-R314 IonicContact OE2-NE 2.63Å; E304-R314 PolarHBondContact OE2-NE 3.21Å; E304-R314 IonicContact OE2-NH2 3.33Å; E304-R314 PolarHBondContact OE2-NH2 3.36Å; R314-A331 CarbonylContact O-C 3.47Å; R314-A331 VanDerWaalsContact O-CA 3.31Å; R314-A331 WeakPolarHBondContact O-CA 3.4Å; R314-G332 PolarHBondContact N-O 3.47Å; R314-G332 PolarHBondContact O-N 2.94Å; R314-D344 IonicContact CZ-OD1 3.94Å; R314-D344 IonicContact NH1-OD1 3.12Å; R314-D344 PolarHBondContact NH1-OD1 2.9Å; R314-D344 IonicContact NH2-OD1 2.85Å
315T98.5Very high93Very high82 Ų8269.8 Ų69.850%0.50334%0.339SS..EExtended strand (participates in β ladder)trans-134.4162.6169.6-172.60000110M1 G302 A303 T330M1-T315 WeakPolarHBondContact CA-O 3.46Å; G302-T315 VanDerWaalsContact CA-O 3.3Å; G302-T315 WeakPolarHBondContact CA-O 3.28Å; A303-T315 HydrophobicContact CB-CG2 4.35Å; A303-T315 PolarHBondContact N-O 2.92Å; A303-T315 PolarHBondContact O-N 2.91Å; T315-T330 CarbonylContact C-O 3.59Å; T315-T330 WeakPolarHBondContact CA-O 3.38Å
316G98.5Very high92.4Very high7 Ų766.8 Ų66.87%0.07233%0.33CS..EExtended strand (participates in β ladder)trans177.3173.7172.200000113.5V301 F329 T330V301-G316 CarbonylContact O-C 3.57Å; V301-G316 WeakPolarHBondContact O-CA 3.19Å; G316-F329 CarbonylContact O-C 3.57Å; G316-F329 WeakPolarHBondContact O-CA 3.15Å; G316-T330 PolarHBondContact N-O 2.94Å; G316-T330 PolarHBondContact N-OG1 2.95Å; G316-T330 PolarHBondContact O-N 3.05Å; G316-T330 PolarHBondContact O-OG1 3.45Å
317Y98.2Very high92.3Very high71 Ų7165.1 Ų65.128%0.27832%0.321SS..EExtended strand (participates in β ladder)trans-138.7142.1-179.6179-104.8000109.5A300 V301 Q319 S327 A328 F329A300-Y317 CarbonylContact C-O 3.56Å; A300-Y317 WeakPolarHBondContact CA-O 3.44Å; V301-Y317 PolarHBondContact N-O 2.72Å; V301-Y317 PolarHBondContact O-N 2.95Å; Y317-Q319 HydrophobicContact CE1-CB 3.91Å; Y317-Q319 PolarHBondContact OH-OE1 3.01Å; Y317-S327 WeakPolarHBondContact OH-CB 3.26Å; Y317-A328 CarbonylContact C-O 3.58Å; Y317-A328 WeakPolarHBondContact CA-O 3.43Å; Y317-A328 WeakPolarHBondContact CD2-O 3.43Å; Y317-F329 AromaticContact CD2-CD1 3.77Å; Y317-F329 HydrophobicContact CD2-CD1 3.77Å; Y317-F329 HydrophobicContact CD2-CD2 4.19Å; Y317-F329 AromaticContact CD2-CE1 3.66Å; Y317-F329 HydrophobicContact CD2-CE1 3.66Å; Y317-F329 HydrophobicContact CD2-CE2 4.09Å; Y317-F329 HydrophobicContact CD2-CG 4.04Å; Y317-F329 AromaticContact CD2-CZ 3.83Å; Y317-F329 HydrophobicContact CD2-CZ 3.83Å; Y317-F329 HydrophobicContact CE2-CD2 4.38Å; Y317-F329 HydrophobicContact CE2-CE1 4.33Å; Y317-F329 HydrophobicContact CE2-CE2 4.05Å; Y317-F329 HydrophobicContact CE2-CZ 4.02Å; Y317-F329 HydrophobicContact CG-CD1 4.49Å; Y317-F329 HydrophobicContact CG-CE1 4.32Å
318R96.8Very high92.6Very high39 Ų3964.7 Ų64.715%0.14732%0.318CS..EExtended strand (participates in β ladder)trans-126.5139.2169.663.6-179.5-175.9-177.1-2.3110.6G2 F298 A299 A300 S327 A328G2-R318 WeakPolarHBondContact O-CB 3.25Å; F298-R318 HydrophobicContact CD1-CB 4.22Å; F298-R318 HydrophobicContact CD1-CG 4.24Å; A299-R318 CarbonylContact O-C 3.57Å; A299-R318 WeakPolarHBondContact O-CA 3.25Å; A300-R318 HydrophobicContact CB-CB 4.01Å; R318-S327 CarbonylContact O-C 3.54Å; R318-S327 WeakPolarHBondContact O-CA 3.33Å; R318-S327 WeakPolarHBondContact O-CB 3.43Å; R318-A328 HydrophobicContact CG-CB 4.24Å; R318-A328 PolarHBondContact N-O 3.5Å; R318-A328 PolarHBondContact O-N 3.46Å
319Q96.3Very high93.2Very high66 Ų6661.6 Ų61.631%0.30831%0.31SS..EExtended strand (participates in β ladder)trans-114.4126.9176.4178.760.243.800109.2F298 A299 Y317 L321 S327F298-Q319 VanDerWaalsContact CA-O 3.26Å; F298-Q319 WeakPolarHBondContact CA-O 3.46Å; A299-Q319 PolarHBondContact N-O 2.89Å; A299-Q319 PolarHBondContact O-N 3.34Å; Y317-Q319 HydrophobicContact CE1-CB 3.91Å; Y317-Q319 PolarHBondContact OH-OE1 3.01Å; Q319-L321 HydrophobicContact CG-CD2 4.31Å; Q319-L321 PolarHBondContact O-N 3.47Å; Q319-S327 PolarHBondContact NE2-OG 3Å; Q319-S327 PolarHBondContact OE1-OG 3.24Å
320N94.5Very high93.9Very high8 Ų855 Ų554%0.04328%0.283CS..EExtended strand (participates in β ladder)trans-74.8122.8167.5-167.4-2.4000108.8Q297 F298 A322 S323 N325 S327Q297-N320 PolarHBondContact N-OD1 3.46Å; Q297-N320 CarbonylContact O-C 3.57Å; Q297-N320 PolarHBondContact O-OD1 3.26Å; Q297-N320 VanDerWaalsContact O-OD1 3.1Å; F298-N320 HydrophobicContact CD1-CB 4.07Å; F298-N320 HydrophobicContact CE1-CB 3.69Å; F298-N320 HydrophobicContact CZ-CB 4.34Å; N320-A322 PolarHBondContact OD1-N 3.11Å; N320-A322 VanDerWaalsContact OD1-N 3.11Å; N320-S323 PolarHBondContact ND2-OG 3.4Å; N320-S323 VanDerWaalsContact O-O 3.07Å; N320-N325 WeakPolarHBondContact CB-O 3.15Å; N320-N325 PolarHBondContact ND2-O 3.19Å; N320-S327 PolarHBondContact N-OG 3.01Å
321L96Very high94.3Very high92 Ų9251.6 Ų51.648%0.48228%0.283SS..SBendtrans-87.4-21.6179.4-55.8178.5000111.8V282 Q297 A299 Q319V282-L321 HydrophobicContact CG1-CD1 4.27Å; Q297-L321 HydrophobicContact CG-CD1 4.48Å; Q297-L321 WeakPolarHBondContact O-CB 3.24Å; Q297-L321 PolarHBondContact O-N 3.26Å; A299-L321 HydrophobicContact CB-CD1 4.09Å; A299-L321 HydrophobicContact CB-CD2 4Å; A299-L321 HydrophobicContact CB-CG 4.26Å; Q319-L321 HydrophobicContact CG-CD2 4.31Å; Q319-L321 PolarHBondContact O-N 3.47Å
322A93.3Very high94.4Very high43 Ų4351 Ų5136%0.35528%0.279SS..SBendtrans-93.9-15.3-175.600000113.7K295 Q297 N320K295-A322 HydrophobicContact CB-CB 3.89Å; K295-A322 VanDerWaalsContact O-CB 3.32Å; K295-A322 WeakPolarHBondContact O-CB 3.47Å; Q297-A322 HydrophobicContact CB-CB 3.96Å; N320-A322 PolarHBondContact OD1-N 3.11Å; N320-A322 VanDerWaalsContact OD1-N 3.11Å
323S86.4Confident94.4Very high31 Ų3155.3 Ų55.322%0.21730%0.301CS..SBendtrans-155.4164.7175.981.20000110.9N320 N325N320-S323 PolarHBondContact ND2-OG 3.4Å; N320-S323 VanDerWaalsContact O-O 3.07Å; S323-N325 PolarHBondContact O-N 3.31Å; S323-N325 PolarHBondContact OG-N 2.89Å; S323-N325 PolarHBondContact OG-O 3.03Å
324N81.9Confident94.4Very high149 Ų14950.5 Ų50.580%0.79728%0.276SS*.SBendtrans-72.8-13177.9-65.8-17.6000113.7
325N83.2Confident94.3Very high77 Ų7751.9 Ų51.941%0.41229%0.286SS..SBendtrans-100.6154.4-175.4-62.2-0.2000111.7N320 S323N320-N325 WeakPolarHBondContact CB-O 3.15Å; N320-N325 PolarHBondContact ND2-O 3.19Å; S323-N325 PolarHBondContact O-N 3.31Å; S323-N325 PolarHBondContact OG-N 2.89Å; S323-N325 PolarHBondContact OG-O 3.03Å
326G85.9Confident94.1Very high13 Ų1348.1 Ų48.113%0.13426%0.264CS..  trans95.61169.900000115.2
327S92.9Very high93.7Very high5 Ų550.1 Ų50.14%0.03528%0.275CS..  trans-61.6141.5168.8-62.80000110.9Y317 R318 Q319 N320 G350 T351Y317-S327 WeakPolarHBondContact OH-CB 3.26Å; R318-S327 CarbonylContact O-C 3.54Å; R318-S327 WeakPolarHBondContact O-CA 3.33Å; R318-S327 WeakPolarHBondContact O-CB 3.43Å; Q319-S327 PolarHBondContact NE2-OG 3Å; Q319-S327 PolarHBondContact OE1-OG 3.24Å; N320-S327 PolarHBondContact N-OG 3.01Å; S327-G350 WeakPolarHBondContact O-CA 3.29Å; S327-T351 PolarHBondContact O-N 2.91Å
328A96Very high93.2Very high1 Ų156 Ų561%0.00830%0.303CS..EExtended strand (participates in β ladder)trans-154.1143.5-175.900000114.4Y317 R318 L348 V349Y317-A328 CarbonylContact C-O 3.58Å; Y317-A328 WeakPolarHBondContact CA-O 3.43Å; Y317-A328 WeakPolarHBondContact CD2-O 3.43Å; R318-A328 HydrophobicContact CG-CB 4.24Å; R318-A328 PolarHBondContact N-O 3.5Å; R318-A328 PolarHBondContact O-N 3.46Å; A328-L348 HydrophobicContact CB-CD1 4.08Å; A328-V349 WeakPolarHBondContact CA-O 3.44Å
329F97.7Very high92.6Very high139 Ų13958.7 Ų58.761%0.6132%0.32SS*.EExtended strand (participates in β ladder)trans-82.8148.1161.7-67.8-82000109.8G316 Y317 L348 V349G316-F329 CarbonylContact O-C 3.57Å; G316-F329 WeakPolarHBondContact O-CA 3.15Å; Y317-F329 AromaticContact CD2-CD1 3.77Å; Y317-F329 HydrophobicContact CD2-CD1 3.77Å; Y317-F329 HydrophobicContact CD2-CD2 4.19Å; Y317-F329 AromaticContact CD2-CE1 3.66Å; Y317-F329 HydrophobicContact CD2-CE1 3.66Å; Y317-F329 HydrophobicContact CD2-CE2 4.09Å; Y317-F329 HydrophobicContact CD2-CG 4.04Å; Y317-F329 AromaticContact CD2-CZ 3.83Å; Y317-F329 HydrophobicContact CD2-CZ 3.83Å; Y317-F329 HydrophobicContact CE2-CD2 4.38Å; Y317-F329 HydrophobicContact CE2-CE1 4.33Å; Y317-F329 HydrophobicContact CE2-CE2 4.05Å; Y317-F329 HydrophobicContact CE2-CZ 4.02Å; Y317-F329 HydrophobicContact CG-CD1 4.49Å; Y317-F329 HydrophobicContact CG-CE1 4.32Å; F329-L348 CarbonylContact O-C 3.54Å; F329-L348 VanDerWaalsContact O-CA 3.25Å; F329-L348 WeakPolarHBondContact O-CA 3.4Å; F329-V349 PolarHBondContact N-O 3.47Å; F329-V349 PolarHBondContact O-N 3.07Å
330T98.1Very high92.4Very high20 Ų2058.5 Ų58.512%0.12332%0.323CS..EExtended strand (participates in β ladder)trans-131143.3176.7680000109.7G2 T315 G316 G347 L348G2-T330 WeakPolarHBondContact CA-OG1 3.48Å; G2-T330 PolarHBondContact N-OG1 2.95Å; T315-T330 CarbonylContact C-O 3.59Å; T315-T330 WeakPolarHBondContact CA-O 3.38Å; G316-T330 PolarHBondContact N-O 2.94Å; G316-T330 PolarHBondContact N-OG1 2.95Å; G316-T330 PolarHBondContact O-N 3.05Å; G316-T330 PolarHBondContact O-OG1 3.45Å; T330-G347 VanDerWaalsContact CA-O 3.27Å; T330-G347 WeakPolarHBondContact CA-O 3.34Å; T330-L348 HydrophobicContact CG2-CB 3.9Å
331A98.3Very high92.4Very high61 Ų6161.2 Ų61.250%0.50434%0.337SS..EExtended strand (participates in β ladder)trans-138.7144.7170.700000108.8R314 A346 G347R314-A331 CarbonylContact O-C 3.47Å; R314-A331 VanDerWaalsContact O-CA 3.31Å; R314-A331 WeakPolarHBondContact O-CA 3.4Å; A331-A346 CarbonylContact O-C 3.48Å; A331-A346 WeakPolarHBondContact O-CA 3.41Å; A331-A346 WeakPolarHBondContact O-CB 3.25Å; A331-G347 PolarHBondContact N-O 3.37Å; A331-G347 PolarHBondContact O-N 3.36Å
332G98Very high92.3Very high6 Ų657.7 Ų57.76%0.06232%0.318CS..EExtended strand (participates in β ladder)trans-156159.5178.700000113R314 V345R314-G332 PolarHBondContact N-O 3.47Å; R314-G332 PolarHBondContact O-N 2.94Å; G332-V345 CarbonylContact C-O 3.52Å; G332-V345 WeakPolarHBondContact CA-O 3.43Å
333I97.5Very high92.5Very high104 Ų10459.6 Ų59.653%0.53332%0.321SS..EExtended strand (participates in β ladder)trans-128.5134.5179.1-59.7171.6000107.5Q312 L313 D344 V345Q312-I333 CarbonylContact O-C 3.58Å; Q312-I333 VanDerWaalsContact O-CA 3.3Å; Q312-I333 WeakPolarHBondContact O-CA 3.47Å; L313-I333 HydrophobicContact CD1-CG1 4.11Å; I333-D344 WeakPolarHBondContact O-CA 3.4Å; I333-V345 PolarHBondContact N-O 3.05Å; I333-V345 PolarHBondContact O-N 3.27Å
334G96.8Very high92.9Very high0 Ų058.7 Ų58.70%031%0.314CS..EExtended strand (participates in β ladder)trans-115.214217200000110.8A311 Q312 I343 D344A311-G334 CarbonylContact C-O 3.51Å; A311-G334 WeakPolarHBondContact CA-O 3.49Å; Q312-G334 PolarHBondContact N-O 2.96Å; Q312-G334 PolarHBondContact O-N 2.78Å; Q312-G334 PolarHBondContact OE1-O 3.43Å; G334-I343 CarbonylContact C-O 3.6Å; G334-I343 WeakPolarHBondContact CA-O 3.33Å; G334-D344 WeakPolarHBondContact CA-OD1 3.26Å
335L96.4Very high93.7Very high75 Ų7555.4 Ų55.439%0.39330%0.299SS..EExtended strand (participates in β ladder)trans-127.3124.9170.3-65.5179.4000108.9W310 A311 H342 I343W310-L335 HydrophobicContact CE3-CD2 3.96Å; W310-L335 HydrophobicContact CZ3-CD2 3.65Å; W310-L335 CarbonylContact O-C 3.55Å; W310-L335 WeakPolarHBondContact O-CA 3.43Å; A311-L335 HydrophobicContact CB-CD2 4.12Å; L335-H342 CarbonylContact O-C 3.54Å; L335-H342 WeakPolarHBondContact O-CA 3.41Å; L335-I343 PolarHBondContact N-O 3.09Å; L335-I343 PolarHBondContact O-N 3.22Å
336S93.3Very high94.4Very high3 Ų353.1 Ų53.12%0.02129%0.291CS..  trans-131.263.8-172.939.10000112.5K309 W310 Q312 F338 D339 I341 H342K309-S336 PolarHBondContact O-OG 2.93Å; W310-S336 WeakPolarHBondContact CA-OG 3.36Å; W310-S336 PolarHBondContact O-N 2.97Å; W310-S336 PolarHBondContact O-OG 3.43Å; Q312-S336 VanDerWaalsContact CD-OG 3.28Å; Q312-S336 PolarHBondContact NE2-OG 2.67Å; Q312-S336 PolarHBondContact OE1-OG 3.16Å; S336-F338 PolarHBondContact O-N 3.38Å; S336-D339 PolarHBondContact O-N 3.12Å; S336-I341 CarbonylContact C-O 3.5Å; S336-I341 WeakPolarHBondContact CA-O 3.34Å; S336-H342 WeakPolarHBondContact CB-ND1 3.37Å
337P89.6Confident95Very high49 Ų4954.1 Ų54.132%0.31830%0.302SS..G310 helixtrans-57.8127178.925.9-36.5000111.1D339 V340 I341P337-D339 PolarHBondContact O-N 3.4Å; P337-V340 PolarHBondContact O-N 2.97Å; P337-I341 VanDerWaalsContact CD-O 3.23Å; P337-I341 WeakPolarHBondContact CD-O 3.34Å; P337-I341 HydrophobicContact CG-CB 4.27Å
338F88Confident95.2Very high195 Ų19555.1 Ų55.186%0.85531%0.306SS*.G310 helixtrans59.512.9177.2-46.7-74.6000115.4S336 V340S336-F338 PolarHBondContact O-N 3.38Å; F338-V340 HydrophobicContact CB-CG2 4.37Å; F338-V340 PolarHBondContact O-N 2.97Å
339D85.4Confident95.2Very high96 Ų9659 Ų5951%0.51333%0.33SS..G310 helixtrans62.420.7-175.8-14722.7000113.9S336 P337 H342S336-D339 PolarHBondContact O-N 3.12Å; P337-D339 PolarHBondContact O-N 3.4Å; D339-H342 PolarHBondContact O-NE2 3.46Å; D339-H342 IonicContact OD1-CE1 2.85Å; D339-H342 PolarHBondContact OD1-CE1 2.71Å
340V90.6Very high94.9Very high62 Ų6253.1 Ų53.138%0.37631%0.308SS..THydrogen-bonded Turntrans-110.6-41.1-176.8172.70000112P337 F338 F363 T364P337-V340 PolarHBondContact O-N 2.97Å; F338-V340 HydrophobicContact CB-CG2 4.37Å; F338-V340 PolarHBondContact O-N 2.97Å; V340-F363 CarbonylContact O-C 3.55Å; V340-F363 WeakPolarHBondContact O-CA 3.17Å; V340-T364 WeakPolarHBondContact CA-O 3.48Å; V340-T364 PolarHBondContact O-N 3.21Å
341I94.4Very high94.2Very high64 Ų6455.4 Ų55.433%0.32832%0.322SS..EExtended strand (participates in β ladder)trans-115.8128.5178.7-54.3176.1000106.3S336 P337 I343 L361 F363S336-I341 CarbonylContact C-O 3.5Å; S336-I341 WeakPolarHBondContact CA-O 3.34Å; P337-I341 VanDerWaalsContact CD-O 3.23Å; P337-I341 WeakPolarHBondContact CD-O 3.34Å; P337-I341 HydrophobicContact CG-CB 4.27Å; I341-I343 HydrophobicContact CG2-CD1 4.44Å; I341-I343 HydrophobicContact CG2-CG1 4.14Å; I341-L361 HydrophobicContact CG2-CD1 4.02Å; I341-F363 HydrophobicContact CD1-CE1 4.45Å; I341-F363 HydrophobicContact CG1-CD1 4.02Å; I341-F363 HydrophobicContact CG1-CE1 3.99Å; I341-F363 HydrophobicContact CG2-CE1 4.15Å
342H94.7Very high93.3Very high18 Ų1856.2 Ų56.28%0.08332%0.318CS..EExtended strand (participates in β ladder)trans-122.1119.7176.3-45.3-106.6000108.6L335 S336 D339 L361 Q362 T364L335-H342 CarbonylContact O-C 3.54Å; L335-H342 WeakPolarHBondContact O-CA 3.41Å; S336-H342 WeakPolarHBondContact CB-ND1 3.37Å; D339-H342 PolarHBondContact O-NE2 3.46Å; D339-H342 IonicContact OD1-CE1 2.85Å; D339-H342 PolarHBondContact OD1-CE1 2.71Å; H342-L361 WeakPolarHBondContact O-CA 3.47Å; H342-Q362 HydrophobicContact CB-CB 4.17Å; H342-Q362 PolarHBondContact N-O 2.91Å; H342-Q362 PolarHBondContact O-N 3.43Å; H342-T364 PolarHBondContact NE2-OG1 3.04Å
343I96.5Very high92.8Very high83 Ų8359.3 Ų59.343%0.42633%0.333SS..EExtended strand (participates in β ladder)trans-116.6117.2176.7-56.5171.2000106.7G334 L335 I341 L361G334-I343 CarbonylContact C-O 3.6Å; G334-I343 WeakPolarHBondContact CA-O 3.33Å; L335-I343 PolarHBondContact N-O 3.09Å; L335-I343 PolarHBondContact O-N 3.22Å; I341-I343 HydrophobicContact CG2-CD1 4.44Å; I341-I343 HydrophobicContact CG2-CG1 4.14Å; I343-L361 HydrophobicContact CG1-CD1 3.81Å
344D96.1Very high92.6Very high13 Ų1354.3 Ų54.37%0.0731%0.308CS..EExtended strand (participates in β ladder)trans-125137.2176.4-45.9-94.6000111R314 I333 G334 A359 Q360R314-D344 IonicContact CZ-OD1 3.94Å; R314-D344 IonicContact NH1-OD1 3.12Å; R314-D344 PolarHBondContact NH1-OD1 2.9Å; R314-D344 IonicContact NH2-OD1 2.85Å; I333-D344 WeakPolarHBondContact O-CA 3.4Å; G334-D344 WeakPolarHBondContact CA-OD1 3.26Å; D344-A359 CarbonylContact O-C 3.5Å; D344-A359 VanDerWaalsContact O-CA 3.29Å; D344-A359 WeakPolarHBondContact O-CA 3.43Å; D344-Q360 HydrophobicContact CB-CG 3.58Å; D344-Q360 VanDerWaalsContact CG-NE2 3.35Å; D344-Q360 PolarHBondContact N-O 3.33Å; D344-Q360 PolarHBondContact O-N 2.74Å; D344-Q360 PolarHBondContact OD2-NE2 3.48Å
345V98Very high92.5Very high79 Ų7960 Ų6048%0.47933%0.33SS..EExtended strand (participates in β ladder)trans-129.6133.8173.5-177.60000108.1G332 I333 I358 A359G332-V345 CarbonylContact C-O 3.52Å; G332-V345 WeakPolarHBondContact CA-O 3.43Å; I333-V345 PolarHBondContact N-O 3.05Å; I333-V345 PolarHBondContact O-N 3.27Å; V345-I358 CarbonylContact C-O 3.53Å; V345-I358 WeakPolarHBondContact CA-O 3.3Å; V345-A359 HydrophobicContact CG2-CB 4.16Å
346A98.2Very high92.6Very high30 Ų3057.2 Ų57.225%0.24832%0.319CS..EExtended strand (participates in β ladder)trans-137.3148.9174.500000111.3A331 A357 I358A331-A346 CarbonylContact O-C 3.48Å; A331-A346 WeakPolarHBondContact O-CA 3.41Å; A331-A346 WeakPolarHBondContact O-CB 3.25Å; A346-A357 CarbonylContact O-C 3.47Å; A346-A357 VanDerWaalsContact O-CA 3.25Å; A346-A357 WeakPolarHBondContact O-CA 3.37Å; A346-I358 HydrophobicContact CB-CG2 3.76Å; A346-I358 PolarHBondContact N-O 3.3Å; A346-I358 PolarHBondContact O-N 3.33Å
347G98.1Very high92.8Very high34 Ų3459.9 Ų59.935%0.35134%0.342SS..EExtended strand (participates in β ladder)trans-114.4157171.200000111T330 A331 G356T330-G347 VanDerWaalsContact CA-O 3.27Å; T330-G347 WeakPolarHBondContact CA-O 3.34Å; A331-G347 PolarHBondContact N-O 3.37Å; A331-G347 PolarHBondContact O-N 3.36Å; G347-G356 CarbonylContact C-O 3.56Å; G347-G356 WeakPolarHBondContact CA-O 3.31Å
348L96.8Very high93.2Very high25 Ų2561.2 Ų61.213%0.13135%0.345CS..EExtended strand (participates in β ladder)trans-128.4139.5168.175.195.5000110Q41 A328 F329 T330 Y355 G356Q41-L348 HydrophobicContact CB-CD2 4.46Å; Q41-L348 HydrophobicContact CG-CD1 4.19Å; Q41-L348 HydrophobicContact CG-CD2 4.22Å; A328-L348 HydrophobicContact CB-CD1 4.08Å; F329-L348 CarbonylContact O-C 3.54Å; F329-L348 VanDerWaalsContact O-CA 3.25Å; F329-L348 WeakPolarHBondContact O-CA 3.4Å; T330-L348 HydrophobicContact CG2-CB 3.9Å; L348-Y355 WeakPolarHBondContact O-CA 3.24Å; L348-G356 PolarHBondContact N-O 3.24Å; L348-G356 PolarHBondContact O-N 3.02Å
349V96.8Very high93.7Very high84 Ų8454.1 Ų54.151%0.50932%0.322SS..EExtended strand (participates in β ladder)trans-132.4117.6172.9-178.90000107A328 F329 Y355A328-V349 WeakPolarHBondContact CA-O 3.44Å; F329-V349 PolarHBondContact N-O 3.47Å; F329-V349 PolarHBondContact O-N 3.07Å; V349-Y355 HydrophobicContact CG1-CD1 4.18Å; V349-Y355 HydrophobicContact CG1-CE1 3.94Å; V349-Y355 HydrophobicContact CG2-CD1 4.27Å
350G92.4Very high94.2Very high14 Ų1451.8 Ų51.814%0.14431%0.309CS..EExtended strand (participates in β ladder)trans-109.1175.5177.900000113.4S327 N354S327-G350 WeakPolarHBondContact O-CA 3.29Å; G350-N354 PolarHBondContact N-O 3.37Å
351T81.8Confident94.5Very high69 Ų6951.4 Ų51.442%0.42330%0.304SS..THydrogen-bonded Turntrans-63.4156.5167.463.10000109.4S327 N354S327-T351 PolarHBondContact O-N 2.91Å; T351-N354 VanDerWaalsContact O-CB 3.28Å; T351-N354 WeakPolarHBondContact O-CB 3.4Å
352D80Confident94.6Very high78 Ų7848.6 Ų48.642%0.41729%0.29SS..THydrogen-bonded Turntrans60.154.4166-36.8-57.8000114.1P45 N354P45-D352 VanDerWaalsContact CA-O 3.31Å; P45-D352 WeakPolarHBondContact CA-O 3.3Å; P45-D352 HydrophobicContact CB-CB 3.62Å; D352-N354 VanDerWaalsContact C-N 3.31Å; D352-N354 PolarHBondContact O-N 2.91Å
353N87.8Confident94.7Very high70 Ų7050.6 Ų50.637%0.37430%0.298SS..THydrogen-bonded Turntrans54.243.4176.8-55.1-32.4000113.6D44 Y355D44-N353 PolarHBondContact N-O 2.9Å; D44-N353 VanDerWaalsContact N-O 3.16Å; D44-N353 WeakPolarHBondContact O-CB 3.16Å; D44-N353 PolarHBondContact O-ND2 3.19Å; D44-N353 VanDerWaalsContact O-ND2 3.07Å; N353-Y355 HydrophobicContact CB-CE2 4.08Å
354N92.5Very high94.5Very high0 Ų047 Ų470%028%0.28CS..EExtended strand (participates in β ladder)trans-103.8116177.1-17824.8000110.3Q41 L42 G350 T351 D352Q41-N354 PolarHBondContact NE2-ND2 2.8Å; Q41-N354 PolarHBondContact NE2-OD1 3.16Å; L42-N354 CarbonylContact O-C 3.52Å; L42-N354 WeakPolarHBondContact O-CA 3.25Å; L42-N354 PolarHBondContact O-OD1 3.36Å; G350-N354 PolarHBondContact N-O 3.37Å; T351-N354 VanDerWaalsContact O-CB 3.28Å; T351-N354 WeakPolarHBondContact O-CB 3.4Å; D352-N354 VanDerWaalsContact C-N 3.31Å; D352-N354 PolarHBondContact O-N 2.91Å
355Y96.2Very high94.2Very high119 Ų11953.1 Ų53.147%0.46731%0.306SS..EExtended strand (participates in β ladder)trans-135.6151.5-175.8-54.2-79.3000110.4Q41 L42 L348 V349 N353Q41-Y355 CarbonylContact C-O 3.59Å; Q41-Y355 VanDerWaalsContact CA-O 3.26Å; Q41-Y355 WeakPolarHBondContact CA-O 3.34Å; Q41-Y355 WeakPolarHBondContact CG-O 3.45Å; L42-Y355 PolarHBondContact N-O 3.06Å; L42-Y355 PolarHBondContact O-N 3.43Å; L348-Y355 WeakPolarHBondContact O-CA 3.24Å; V349-Y355 HydrophobicContact CG1-CD1 4.18Å; V349-Y355 HydrophobicContact CG1-CE1 3.94Å; V349-Y355 HydrophobicContact CG2-CD1 4.27Å; N353-Y355 HydrophobicContact CB-CE2 4.08Å
356G97.2Very high94Very high16 Ų1651.8 Ų51.817%0.16530%0.297CS..EExtended strand (participates in β ladder)trans-169.5165.5174.900000112.6A40 G347 L348A40-G356 CarbonylContact O-C 3.59Å; A40-G356 WeakPolarHBondContact O-CA 3.4Å; G347-G356 CarbonylContact C-O 3.56Å; G347-G356 WeakPolarHBondContact CA-O 3.31Å; L348-G356 PolarHBondContact N-O 3.24Å; L348-G356 PolarHBondContact O-N 3.02Å
357A98.1Very high93.8Very high60 Ų6052.9 Ų52.950%0.49630%0.3SS..EExtended strand (participates in β ladder)trans-146.7152.7179.100000110G39 A40 A346G39-A357 CarbonylContact C-O 3.58Å; G39-A357 WeakPolarHBondContact CA-O 3.49Å; A40-A357 PolarHBondContact N-O 3.31Å; A40-A357 PolarHBondContact O-N 3.27Å; A346-A357 CarbonylContact O-C 3.47Å; A346-A357 VanDerWaalsContact O-CA 3.25Å; A346-A357 WeakPolarHBondContact O-CA 3.37Å
358I97.6Very high93.6Very high76 Ų7654 Ų5439%0.3930%0.297SS..EExtended strand (participates in β ladder)trans-139.2141.5173.3-173.7169.6000108.8V38 V345 A346V38-I358 CarbonylContact O-C 3.56Å; V38-I358 WeakPolarHBondContact O-CA 3.3Å; V38-I358 WeakPolarHBondContact O-CG1 3.43Å; V345-I358 CarbonylContact C-O 3.53Å; V345-I358 WeakPolarHBondContact CA-O 3.3Å; A346-I358 HydrophobicContact CB-CG2 3.76Å; A346-I358 PolarHBondContact N-O 3.3Å; A346-I358 PolarHBondContact O-N 3.33Å
359A98Very high93.4Very high46 Ų4655.7 Ų55.738%0.3831%0.307SS..EExtended strand (participates in β ladder)trans-131.2139.4170.800000108.9S37 V38 D344 V345S37-A359 WeakPolarHBondContact CA-O 3.42Å; V38-A359 PolarHBondContact N-O 2.98Å; V38-A359 PolarHBondContact O-N 3.43Å; D344-A359 CarbonylContact O-C 3.5Å; D344-A359 VanDerWaalsContact O-CA 3.29Å; D344-A359 WeakPolarHBondContact O-CA 3.43Å; V345-A359 HydrophobicContact CG2-CB 4.16Å
360Q96.6Very high93.2Very high48 Ų4853.9 Ų53.922%0.22429%0.294CS..EExtended strand (participates in β ladder)trans-136.5145.3177.159.9-179.433.700111L34 D344L34-Q360 HydrophobicContact CD1-CB 3.99Å; D344-Q360 HydrophobicContact CB-CG 3.58Å; D344-Q360 VanDerWaalsContact CG-NE2 3.35Å; D344-Q360 PolarHBondContact N-O 3.33Å; D344-Q360 PolarHBondContact O-N 2.74Å; D344-Q360 PolarHBondContact OD2-NE2 3.48Å
361L97.3Very high93.2Very high53 Ų5356.6 Ų56.628%0.27730%0.304SS..EExtended strand (participates in β ladder)trans-123122.4170.9178.565.1000108.2L35 P36 I341 H342 I343 F363L35-L361 PolarHBondContact N-O 3.42Å; P36-L361 PolarHBondContact O-N 3.09Å; P36-L361 VanDerWaalsContact O-N 3.09Å; I341-L361 HydrophobicContact CG2-CD1 4.02Å; H342-L361 WeakPolarHBondContact O-CA 3.47Å; I343-L361 HydrophobicContact CG1-CD1 3.81Å; L361-F363 HydrophobicContact CD1-CE2 4.19Å; L361-F363 HydrophobicContact CD1-CZ 4.01Å; L361-F363 HydrophobicContact CD2-CE2 3.74Å; L361-F363 HydrophobicContact CD2-CZ 3.82Å; L361-F363 HydrophobicContact CG-CE2 3.66Å; L361-F363 HydrophobicContact CG-CZ 3.91Å
362Q96.4Very high94Very high6 Ų655.7 Ų55.73%0.02830%0.296CS..EExtended strand (participates in β ladder)trans-127.6146.5177.6177.9-170.3-22.100109.9H10 S32 L33 L34 H342H10-Q362 PolarHBondContact CE1-NE2 3.08Å; H10-Q362 PolarHBondContact ND1-NE2 2.81Å; S32-Q362 WeakPolarHBondContact OG-CG 3.49Å; S32-Q362 PolarHBondContact OG-NE2 2.84Å; L33-Q362 CarbonylContact O-C 3.53Å; L33-Q362 VanDerWaalsContact O-CA 3.3Å; L33-Q362 WeakPolarHBondContact O-CA 3.48Å; L34-Q362 HydrophobicContact CD1-CB 4.03Å; H342-Q362 HydrophobicContact CB-CB 4.17Å; H342-Q362 PolarHBondContact N-O 2.91Å; H342-Q362 PolarHBondContact O-N 3.43Å
363F95.6Very high95.1Very high60 Ų6054 Ų5426%0.26329%0.286SS..EExtended strand (participates in β ladder)trans-118.9144.1170.9-58.6-90.6000109.6S32 L33 V340 I341 L361 F365S32-F363 CarbonylContact C-O 3.57Å; S32-F363 WeakPolarHBondContact CA-O 3.23Å; S32-F363 PolarHBondContact OG-O 3.19Å; L33-F363 PolarHBondContact N-O 3.1Å; L33-F363 PolarHBondContact O-N 3.07Å; V340-F363 CarbonylContact O-C 3.55Å; V340-F363 WeakPolarHBondContact O-CA 3.17Å; I341-F363 HydrophobicContact CD1-CE1 4.45Å; I341-F363 HydrophobicContact CG1-CD1 4.02Å; I341-F363 HydrophobicContact CG1-CE1 3.99Å; I341-F363 HydrophobicContact CG2-CE1 4.15Å; L361-F363 HydrophobicContact CD1-CE2 4.19Å; L361-F363 HydrophobicContact CD1-CZ 4.01Å; L361-F363 HydrophobicContact CD2-CE2 3.74Å; L361-F363 HydrophobicContact CD2-CZ 3.82Å; L361-F363 HydrophobicContact CG-CE2 3.66Å; L361-F363 HydrophobicContact CG-CZ 3.91Å; F363-F365 HydrophobicContact CB-CD2 4.47Å; F363-F365 HydrophobicContact CB-CE2 3.66Å; F363-F365 HydrophobicContact CB-CZ 4.05Å
364T93.5Very high95.7Very high6 Ų652.7 Ų52.74%0.03728%0.279CS..EExtended strand (participates in β ladder)trans-129.5136.9173.6-54.10000107.6Y11 F31 V340 H342Y11-T364 WeakPolarHBondContact OH-CG2 3.22Å; F31-T364 WeakPolarHBondContact O-CA 3.25Å; V340-T364 WeakPolarHBondContact CA-O 3.48Å; V340-T364 PolarHBondContact O-N 3.21Å; H342-T364 PolarHBondContact NE2-OG1 3.04Å
365F89.7Confident96Very high142 Ų14257.5 Ų57.562%0.62331%0.305SS*.  trans-124.50-174.9-63.6-90.3000111.5D30 F31 F363D30-F365 PolarHBondContact N-O 3.22Å; F31-F365 HydrophobicContact CB-CB 4.4Å; F31-F365 HydrophobicContact CB-CD2 4.5Å; F31-F365 AromaticContact CD1-CD2 3.65Å; F31-F365 HydrophobicContact CD1-CD2 3.65Å; F31-F365 HydrophobicContact CD1-CE2 4.03Å; F31-F365 HydrophobicContact CE1-CD2 4.46Å; F31-F365 HydrophobicContact CE1-CE2 4.41Å; F31-F365 PolarHBondContact N-O 3.49Å; F31-F365 PolarHBondContact O-N 2.89Å; F363-F365 HydrophobicContact CB-CD2 4.47Å; F363-F365 HydrophobicContact CB-CE2 3.66Å; F363-F365 HydrophobicContact CB-CZ 4.05Å

Retrieved 365 of 365 residues in 191.9 ms (Link to these results)

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