A0A077ZJB6_TRITR Loading...

Ras protein Rab 30

AlphaFold DB , UniProt , Accession A0A077ZJB6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 200 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M53.7Low83.5Confident213 Ų21375.6 Ų75.6100%1.04936%0.356SS*.  0127.60-161.4175.5-144.500106.1D3M1-D3 PolarHBondContact O-N 2.79Å
2E63.4Low84.6Confident134 Ų13469.3 Ų69.363%0.62633%0.327SS*.  trans-58.4123176-72.9-176.616600109.4K57E2-K57 PolarHBondContact O-NZ 3.18Å
3D83.3Confident85.4Confident138 Ų13864 Ų6474%0.73830%0.302SS*.  trans-66.1135.3-178.1-156.79.7000110.4M1 K55M1-D3 PolarHBondContact O-N 2.79Å; D3-K55 VanDerWaalsContact O-CD 3.24Å; D3-K55 WeakPolarHBondContact O-CD 3.38Å
4Y82.7Confident86.1Confident81 Ų8159.4 Ų59.432%0.31828%0.28SS..  trans-143.7146179.565.9-86.1000109.5Y6 L7 K57Y4-Y6 VanDerWaalsContact CD2-O 3.3Å; Y4-Y6 WeakPolarHBondContact CD2-O 3.24Å; Y4-L7 HydrophobicContact CD2-CB 4.26Å; Y4-L7 HydrophobicContact CE2-CB 3.63Å; Y4-L7 HydrophobicContact CE2-CD1 4.49Å; Y4-L7 HydrophobicContact CE2-CG 4.48Å; Y4-K57 HydrophobicContact CD1-CD 3.45Å; Y4-K57 VanDerWaalsContact CD1-CD 3.45Å; Y4-K57 HydrophobicContact CD1-CG 4.25Å; Y4-K57 HydrophobicContact CD2-CD 4.36Å; Y4-K57 HydrophobicContact CD2-CG 4.47Å; Y4-K57 HydrophobicContact CE1-CD 3.95Å; Y4-K57 HydrophobicContact CG-CB 4.43Å; Y4-K57 HydrophobicContact CG-CD 3.63Å; Y4-K57 HydrophobicContact CG-CG 3.92Å
5K84.8Confident86.7Confident114 Ų11457.7 Ų57.750%0.49627%0.273SS..SBendtrans-89.6-32.6-179-166.6177.1179.5-175.90112.3D54 K55K5-D54 HydrophobicContact CD-CB 4.03Å; K5-D54 WeakPolarHBondContact CD-OD1 3.5Å; K5-D54 WeakPolarHBondContact CD-OD2 3.49Å; K5-D54 WeakPolarHBondContact CE-OD1 3.39Å; K5-D54 WeakPolarHBondContact CE-OD2 3.01Å; K5-D54 IonicContact NZ-OD1 2.67Å; K5-D54 PolarHBondContact NZ-OD1 2.84Å; K5-D54 IonicContact NZ-OD2 3.52Å; K5-D54 PolarHBondContact NZ-OD2 3.42Å; K5-K55 PolarHBondContact N-O 3.01Å
6Y88Confident87.1Confident36 Ų3657.2 Ų57.214%0.14128%0.282CS..EExtended strand (participates in β ladder)trans-134.7144.4-176.8-54.3-74.9000112.1Y4 D54 K55 V56 K57 F170 R174Y4-Y6 VanDerWaalsContact CD2-O 3.3Å; Y4-Y6 WeakPolarHBondContact CD2-O 3.24Å; Y6-D54 HydrophobicContact CD2-CB 4.34Å; Y6-D54 HydrophobicContact CE2-CB 4.06Å; Y6-D54 WeakPolarHBondContact CE2-OD2 3.13Å; Y6-K55 PolarHBondContact N-O 2.83Å; Y6-V56 HydrophobicContact CD2-CG2 4.12Å; Y6-K57 PolarHBondContact O-N 2.97Å; Y6-F170 AromaticContact CD1-CE1 3.91Å; Y6-F170 HydrophobicContact CD1-CE1 3.91Å; Y6-F170 HydrophobicContact CD1-CZ 4.31Å; Y6-F170 AromaticContact CD2-CE1 3.56Å; Y6-F170 HydrophobicContact CD2-CE1 3.56Å; Y6-F170 AromaticContact CD2-CZ 3.33Å; Y6-F170 HydrophobicContact CD2-CZ 3.33Å; Y6-F170 AromaticContact CE1-CE1 3.85Å; Y6-F170 HydrophobicContact CE1-CE1 3.85Å; Y6-F170 AromaticContact CE2-CE1 3.42Å; Y6-F170 HydrophobicContact CE2-CE1 3.42Å; Y6-F170 VanDerWaalsContact CE2-CE1 3.42Å; Y6-F170 AromaticContact CE2-CZ 3.59Å; Y6-F170 HydrophobicContact CE2-CZ 3.59Å; Y6-F170 AromaticContact CG-CE1 3.75Å; Y6-F170 HydrophobicContact CG-CE1 3.75Å; Y6-F170 AromaticContact CG-CZ 3.68Å; Y6-F170 HydrophobicContact CG-CZ 3.68Å; Y6-F170 AromaticContact CZ-CE1 3.58Å; Y6-R174 VanDerWaalsContact OH-CZ 3.31Å; Y6-R174 PolarHBondContact OH-NH2 3.4Å
7L89.5Confident87.4Confident53 Ų5357.4 Ų57.428%0.27730%0.302SS..EExtended strand (participates in β ladder)trans-126.1118.6175.7-177.768.8000108.8Y4 K57 Q59Y4-L7 HydrophobicContact CD2-CB 4.26Å; Y4-L7 HydrophobicContact CE2-CB 3.63Å; Y4-L7 HydrophobicContact CE2-CD1 4.49Å; Y4-L7 HydrophobicContact CE2-CG 4.48Å; L7-K57 CarbonylContact C-O 3.53Å; L7-K57 WeakPolarHBondContact CA-O 3.48Å; L7-K57 HydrophobicContact CD1-CB 3.7Å; L7-Q59 HydrophobicContact CD1-CG 3.71Å; L7-Q59 HydrophobicContact CG-CG 4.5Å
8F91.4Very high87.9Confident7 Ų754.2 Ų54.23%0.03129%0.286CS..EExtended strand (participates in β ladder)trans-114.2138174.9-59.5-54.3000110.9V56 K57 L58 Q59 H81 T166 H169 F170F8-V56 HydrophobicContact CD2-CG1 3.34Å; F8-V56 HydrophobicContact CE2-CG1 3.44Å; F8-V56 VanDerWaalsContact CE2-CG1 3.44Å; F8-K57 PolarHBondContact N-O 3.09Å; F8-L58 HydrophobicContact CB-CD2 3.74Å; F8-L58 HydrophobicContact CD2-CD2 3.99Å; F8-L58 HydrophobicContact CG-CD2 4.37Å; F8-Q59 PolarHBondContact O-N 2.93Å; F8-H81 HydrophobicContact CD1-CB 4.41Å; F8-T166 HydrophobicContact CD2-CG2 4.41Å; F8-T166 HydrophobicContact CE2-CG2 4.12Å; F8-H169 HydrophobicContact CD1-CB 4.47Å; F8-H169 AromaticContact CD1-CD2 3.65Å; F8-H169 AromaticContact CD1-CE1 3.95Å; F8-H169 AromaticContact CD1-CG 3.74Å; F8-H169 AromaticContact CD1-ND1 3.93Å; F8-H169 AromaticContact CD1-NE2 3.77Å; F8-H169 HydrophobicContact CE1-CB 4.15Å; F8-H169 AromaticContact CE1-CD2 3.64Å; F8-H169 AromaticContact CE1-CE1 3.27Å; F8-H169 WeakPolarHBondContact CE1-CE1 3.45Å; F8-H169 AromaticContact CE1-CG 3.34Å; F8-H169 AromaticContact CE1-ND1 3.1Å; F8-H169 WeakPolarHBondContact CE1-ND1 3.3Å; F8-H169 AromaticContact CE1-NE2 3.57Å; F8-H169 HydrophobicContact CZ-CB 4.21Å; F8-H169 AromaticContact CZ-CG 3.81Å; F8-H169 AromaticContact CZ-ND1 3.53Å; F8-F170 HydrophobicContact CE2-CE1 4.47Å; F8-F170 AromaticContact CE2-CE2 3.87Å; F8-F170 HydrophobicContact CE2-CE2 3.87Å; F8-F170 AromaticContact CE2-CZ 3.78Å; F8-F170 HydrophobicContact CE2-CZ 3.78Å; F8-F170 HydrophobicContact CZ-CE1 4.05Å; F8-F170 HydrophobicContact CZ-CE2 4.19Å; F8-F170 AromaticContact CZ-CZ 3.81Å; F8-F170 HydrophobicContact CZ-CZ 3.81Å
9K93Very high88.3Confident55 Ų5552 Ų5224%0.23928%0.277CS..EExtended strand (participates in β ladder)trans-104.1118.4175.9-65.1177.2174.7-177.30108.6Q59 S79 H81 A82K9-Q59 CarbonylContact C-O 3.6Å; K9-Q59 WeakPolarHBondContact CA-O 3.48Å; K9-Q59 HydrophobicContact CG-CB 4.13Å; K9-Q59 VanDerWaalsContact CG-OE1 3.31Å; K9-S79 VanDerWaalsContact CD-O 3.29Å; K9-S79 WeakPolarHBondContact CD-O 3.35Å; K9-S79 PolarHBondContact NZ-OG 3.08Å; K9-H81 WeakPolarHBondContact CB-ND1 3.04Å; K9-H81 PolarHBondContact N-ND1 2.85Å; K9-H81 PolarHBondContact O-N 2.94Å; K9-A82 PolarHBondContact O-N 2.73Å; K9-A82 VanDerWaalsContact O-N 3.14Å
10V94.5Very high88.7Confident0 Ų049.9 Ų49.90%027%0.265CS..EExtended strand (participates in β ladder)trans-115.3127-179.5-169.30000107.8L12 L58 Q59 I60 W61 A82 I84 V165V10-L12 HydrophobicContact CG1-CD1 4.47Å; V10-L58 HydrophobicContact CG2-CD2 4.37Å; V10-Q59 PolarHBondContact N-O 3.42Å; V10-I60 WeakPolarHBondContact O-CA 3.1Å; V10-W61 PolarHBondContact O-N 2.84Å; V10-A82 WeakPolarHBondContact CA-O 3.25Å; V10-A82 HydrophobicContact CG1-CB 4.45Å; V10-I84 HydrophobicContact CG1-CD1 3.56Å; V10-I84 HydrophobicContact CG1-CG1 3.96Å; V10-V165 HydrophobicContact CG1-CG2 4.32Å; V10-V165 HydrophobicContact CG2-CG1 3.71Å
11V94.7Very high89Confident1 Ų148.1 Ų48.11%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-114125.2177.1-173.40000108.3V13 W61 T63 A80 A82 I83 I84V11-V13 HydrophobicContact CG1-CG1 3.87Å; V11-W61 HydrophobicContact CG1-CB 4.4Å; V11-W61 HydrophobicContact CG2-CB 4.2Å; V11-W61 HydrophobicContact CG2-CG 4.46Å; V11-T63 HydrophobicContact CG1-CG2 3.73Å; V11-A80 HydrophobicContact CB-CB 4.5Å; V11-A80 HydrophobicContact CG2-CB 3.74Å; V11-A82 PolarHBondContact N-O 3.2Å; V11-I83 WeakPolarHBondContact O-CA 3.38Å; V11-I84 PolarHBondContact O-N 2.89Å
12L96.3Very high90.9Very high0 Ų038.6 Ų38.60%021%0.211CC..EExtended strand (participates in β ladder)trans-93130.1171.5-74.279.8000109.1V10 K20 L23 V24 I60 W61 T63 I84 V86 F162V10-L12 HydrophobicContact CG1-CD1 4.47Å; L12-K20 HydrophobicContact CB-CB 4.19Å; L12-K20 HydrophobicContact CB-CD 4.09Å; L12-K20 HydrophobicContact CB-CG 4.3Å; L12-K20 HydrophobicContact CD2-CB 4.06Å; L12-L23 HydrophobicContact CD2-CB 4.44Å; L12-V24 HydrophobicContact CD1-CG2 3.75Å; L12-V24 HydrophobicContact CD2-CG2 3.65Å; L12-V24 HydrophobicContact CG-CG2 4.29Å; L12-I60 HydrophobicContact CD1-CG2 3.48Å; L12-I60 VanDerWaalsContact CD1-CG2 3.48Å; L12-W61 PolarHBondContact N-O 3.11Å; L12-T63 WeakPolarHBondContact O-CB 3.1Å; L12-T63 WeakPolarHBondContact O-CG2 3.4Å; L12-T63 PolarHBondContact O-OG1 3.26Å; L12-I84 WeakPolarHBondContact CA-O 3.27Å; L12-I84 HydrophobicContact CD1-CD1 4.37Å; L12-I84 HydrophobicContact CG-CB 4.19Å; L12-I84 HydrophobicContact CG-CD1 4.39Å; L12-V86 HydrophobicContact CD2-CG2 4.45Å; L12-F162 HydrophobicContact CD1-CE1 4.03Å; L12-F162 HydrophobicContact CD1-CZ 4.32Å; L12-F162 HydrophobicContact CD2-CZ 4.36Å
13V95.2Very high92.5Very high0 Ų032.2 Ų32.20%018%0.181CC..EExtended strand (participates in β ladder)trans-134.7168178.5-61.10000111.1V11 K20 T73 Y77 I83 I84 L85 V86 W101 I105V11-V13 HydrophobicContact CG1-CG1 3.87Å; V13-K20 WeakPolarHBondContact O-CD 3.36Å; V13-T73 HydrophobicContact CG1-CG2 3.81Å; V13-Y77 HydrophobicContact CG1-CE1 3.69Å; V13-Y77 HydrophobicContact CG2-CE1 4.44Å; V13-I83 HydrophobicContact CG2-CG2 3.59Å; V13-I84 PolarHBondContact N-O 2.82Å; V13-L85 HydrophobicContact CG2-CB 4.32Å; V13-L85 HydrophobicContact CG2-CD1 3.88Å; V13-V86 PolarHBondContact O-N 2.86Å; V13-W101 HydrophobicContact CB-CE3 4.05Å; V13-W101 HydrophobicContact CB-CZ3 4.16Å; V13-I105 HydrophobicContact CG2-CD1 4.21Å
14G95.4Very high93.1Very high0 Ų025.7 Ų25.70%015%0.146CC..SBendtrans128.6170.5-172.600000112.2K20 G65 W101G14-K20 PolarHBondContact O-NZ 2.71Å; G14-G65 VanDerWaalsContact O-CA 3.23Å; G14-G65 WeakPolarHBondContact O-CA 3.29Å; G14-W101 VanDerWaalsContact C-CE2 3.48Å; G14-W101 VanDerWaalsContact CA-CE2 3.47Å; G14-W101 VanDerWaalsContact O-CZ2 3.27Å; G14-W101 WeakPolarHBondContact O-CZ2 3.26Å
15N94.5Very high93.6Very high33 Ų3325.2 Ų25.218%0.17614%0.144CC..  trans-56.6159.6-174.6-73.433.8000113.3V18 K20 T94 R97 W101N15-V18 HydrophobicContact CB-CG1 3.89Å; N15-V18 VanDerWaalsContact O-CG2 3.27Å; N15-V18 WeakPolarHBondContact O-CG2 3.48Å; N15-K20 PolarHBondContact O-NZ 2.74Å; N15-T94 HydrophobicContact CB-CG2 4.2Å; N15-R97 WeakPolarHBondContact OD1-CB 3.43Å; N15-W101 PolarHBondContact OD1-NE1 3.49Å
16A92.7Very high94.1Very high50 Ų5021.7 Ų21.741%0.41313%0.128SC..THydrogen-bonded Turntrans-59.5145.2168.500000110.3V18 G65 Q66A16-V18 VanDerWaalsContact C-N 3.28Å; A16-V18 PolarHBondContact O-N 3.4Å; A16-G65 PolarHBondContact N-O 3.03Å; A16-G65 VanDerWaalsContact N-O 3.12Å; A16-Q66 HydrophobicContact CB-CG 4.16Å
17G93.1Very high94.4Very high61 Ų6120.1 Ų20.163%0.62912%0.122SC*.THydrogen-bonded Turntrans80.1-8174.800000116.4G19 K121G17-G19 PolarHBondContact O-N 2.98Å; G17-K121 VanDerWaalsContact O-CE 3.29Å; G17-K121 WeakPolarHBondContact O-CE 3.48Å; G17-K121 PolarHBondContact O-NZ 3.27Å
18V96.1Very high94.6Very high0 Ų019 Ų190%012%0.118CC..SBendtrans-66.7-17.3178-56.70000113.5N15 A16 K20 V86 D88 T94 N120N15-V18 HydrophobicContact CB-CG1 3.89Å; N15-V18 VanDerWaalsContact O-CG2 3.27Å; N15-V18 WeakPolarHBondContact O-CG2 3.48Å; A16-V18 VanDerWaalsContact C-N 3.28Å; A16-V18 PolarHBondContact O-N 3.4Å; V18-K20 HydrophobicContact CG2-CD 4.37Å; V18-K20 HydrophobicContact CG2-CG 3.69Å; V18-V86 HydrophobicContact CB-CG1 4.17Å; V18-V86 HydrophobicContact CG2-CB 3.82Å; V18-V86 HydrophobicContact CG2-CG1 3.78Å; V18-D88 HydrophobicContact CB-CB 4.48Å; V18-D88 HydrophobicContact CG1-CB 4.41Å; V18-T94 HydrophobicContact CG1-CG2 3.76Å; V18-N120 PolarHBondContact O-ND2 2.89Å
19G95.9Very high94.7Very high12 Ų1223.4 Ų23.412%0.12414%0.138CC..SBendtrans10320174.200000116.1G17 T21 C22 L23G17-G19 PolarHBondContact O-N 2.98Å; G19-T21 PolarHBondContact O-N 3.4Å; G19-C22 WeakPolarHBondContact O-CB 3.39Å; G19-C22 PolarHBondContact O-N 2.84Å; G19-C22 VanDerWaalsContact O-N 3.08Å; G19-L23 PolarHBondContact O-N 2.79Å
20K95.5Very high94.6Very high9 Ų922.9 Ų22.94%0.03915%0.149CC..Hα-helixtrans-48.9-55.7175.2-58.9-173.6-62-74.90112.6L12 V13 G14 N15 V18 C22 L23 V24 D62 T63 V86L12-K20 HydrophobicContact CB-CB 4.19Å; L12-K20 HydrophobicContact CB-CD 4.09Å; L12-K20 HydrophobicContact CB-CG 4.3Å; L12-K20 HydrophobicContact CD2-CB 4.06Å; V13-K20 WeakPolarHBondContact O-CD 3.36Å; G14-K20 PolarHBondContact O-NZ 2.71Å; N15-K20 PolarHBondContact O-NZ 2.74Å; V18-K20 HydrophobicContact CG2-CD 4.37Å; V18-K20 HydrophobicContact CG2-CG 3.69Å; K20-C22 VanDerWaalsContact C-N 3.28Å; K20-C22 PolarHBondContact O-N 2.92Å; K20-L23 WeakPolarHBondContact O-CB 3.38Å; K20-L23 PolarHBondContact O-N 2.84Å; K20-L23 VanDerWaalsContact O-N 3.09Å; K20-V24 WeakPolarHBondContact O-CG2 3.29Å; K20-V24 PolarHBondContact O-N 3.04Å; K20-D62 VanDerWaalsContact CB-OD1 3.29Å; K20-D62 WeakPolarHBondContact CB-OD1 3.15Å; K20-T63 WeakPolarHBondContact CE-O 3.38Å; K20-V86 HydrophobicContact CG-CB 4.1Å; K20-V86 HydrophobicContact CG-CG2 4.03Å
21T94.7Very high94.5Very high14 Ų1425.8 Ų25.89%0.08617%0.166CC..Hα-helixtrans-58.2-39.6177.3-45.50000112.5G19 V24 R25 Q36 T39 D62G19-T21 PolarHBondContact O-N 3.4Å; T21-V24 PolarHBondContact O-N 2.81Å; T21-R25 HydrophobicContact CG2-CG 4.3Å; T21-R25 WeakPolarHBondContact O-CB 3.49Å; T21-R25 VanDerWaalsContact O-CG 3.26Å; T21-R25 WeakPolarHBondContact O-CG 3.25Å; T21-R25 PolarHBondContact O-N 2.76Å; T21-Q36 HydrophobicContact CG2-CG 4.28Å; T21-T39 PolarHBondContact OG1-OG1 3.31Å; T21-D62 VanDerWaalsContact CA-OD2 3.26Å; T21-D62 WeakPolarHBondContact CA-OD2 3.19Å; T21-D62 WeakPolarHBondContact CB-OD2 3.5Å; T21-D62 WeakPolarHBondContact CG2-OD2 3.31Å; T21-D62 PolarHBondContact N-OD1 3.07Å; T21-D62 PolarHBondContact OG1-OD2 3.48Å
22C95.4Very high94.2Very high13 Ų1329.7 Ų29.79%0.08818%0.183CC..Hα-helixtrans-65.4-41.5177.3-60.50000111.3G19 K20 K26 F32 A152G19-C22 WeakPolarHBondContact O-CB 3.39Å; G19-C22 PolarHBondContact O-N 2.84Å; G19-C22 VanDerWaalsContact O-N 3.08Å; K20-C22 VanDerWaalsContact C-N 3.28Å; K20-C22 PolarHBondContact O-N 2.92Å; C22-K26 WeakPolarHBondContact O-CB 3.03Å; C22-K26 PolarHBondContact O-N 2.88Å; C22-F32 HydrophobicContact CB-CD2 4.03Å; C22-F32 HydrophobicContact CB-CE2 3.72Å; C22-A152 HydrophobicContact CB-CB 3.64Å
23L96.3Very high93.3Very high0 Ų030.6 Ų30.60%019%0.189CC..Hα-helixtrans-61.6-48.3174.3-71.9168.9000111.2L12 G19 K20 K26 F27 V86 N120 A152 V158 L161L12-L23 HydrophobicContact CD2-CB 4.44Å; G19-L23 PolarHBondContact O-N 2.79Å; K20-L23 WeakPolarHBondContact O-CB 3.38Å; K20-L23 PolarHBondContact O-N 2.84Å; K20-L23 VanDerWaalsContact O-N 3.09Å; L23-K26 PolarHBondContact O-N 2.95Å; L23-F27 WeakPolarHBondContact O-CB 3.46Å; L23-F27 PolarHBondContact O-N 3.4Å; L23-V86 HydrophobicContact CD1-CG1 4.06Å; L23-V86 HydrophobicContact CD1-CG2 4.26Å; L23-N120 HydrophobicContact CD1-CB 4.26Å; L23-A152 HydrophobicContact CD2-CB 3.97Å; L23-A152 HydrophobicContact CG-CB 4.23Å; L23-V158 HydrophobicContact CD2-CG2 3.93Å; L23-L161 HydrophobicContact CD1-CD2 4.13Å; L23-L161 HydrophobicContact CD2-CD2 4.48Å
24V95.2Very high92.4Very high1 Ų136.7 Ų36.71%0.00623%0.229CC..Hα-helixtrans-59.9-52.3178.9176.90000110.7L12 K20 T21 K26 F27 T28 M45 I60 D62 F162L12-V24 HydrophobicContact CD1-CG2 3.75Å; L12-V24 HydrophobicContact CD2-CG2 3.65Å; L12-V24 HydrophobicContact CG-CG2 4.29Å; K20-V24 WeakPolarHBondContact O-CG2 3.29Å; K20-V24 PolarHBondContact O-N 3.04Å; T21-V24 PolarHBondContact O-N 2.81Å; V24-K26 VanDerWaalsContact C-N 3.33Å; V24-K26 PolarHBondContact O-N 3Å; V24-F27 PolarHBondContact O-N 3.46Å; V24-T28 HydrophobicContact CG1-CG2 4.14Å; V24-T28 WeakPolarHBondContact O-CB 3.33Å; V24-T28 WeakPolarHBondContact O-CG2 3.12Å; V24-T28 PolarHBondContact O-N 3.09Å; V24-T28 PolarHBondContact O-OG1 3.32Å; V24-M45 HydrophobicContact CG1-CB 4.16Å; V24-M45 HydrophobicContact CG1-CE 4.45Å; V24-M45 HydrophobicContact CG1-CG 3.98Å; V24-M45 HydrophobicContact CG1-SD 4.43Å; V24-I60 HydrophobicContact CB-CG2 4.45Å; V24-I60 HydrophobicContact CG1-CB 4.5Å; V24-I60 HydrophobicContact CG1-CG2 3.95Å; V24-I60 HydrophobicContact CG2-CG2 3.67Å; V24-D62 HydrophobicContact CG2-CB 4.14Å; V24-F162 HydrophobicContact CG2-CZ 4.33Å
25R93.7Very high91.5Very high71 Ų7140.2 Ų40.227%0.26827%0.265SS..Hα-helixtrans-64.1-37.8180-68.7-178.272.1168.85.5112.3T21 F27 Q29 G30 V31 M45T21-R25 HydrophobicContact CG2-CG 4.3Å; T21-R25 WeakPolarHBondContact O-CB 3.49Å; T21-R25 VanDerWaalsContact O-CG 3.26Å; T21-R25 WeakPolarHBondContact O-CG 3.25Å; T21-R25 PolarHBondContact O-N 2.76Å; R25-F27 VanDerWaalsContact C-N 3.32Å; R25-F27 PolarHBondContact O-N 3.03Å; R25-Q29 WeakPolarHBondContact O-CA 3.27Å; R25-Q29 VanDerWaalsContact O-CB 3.31Å; R25-Q29 WeakPolarHBondContact O-CB 3.45Å; R25-Q29 PolarHBondContact O-N 2.76Å; R25-G30 PolarHBondContact O-N 3.26Å; R25-V31 CarbonylContact C-O 3.59Å; R25-V31 HydrophobicContact CB-CG2 4.4Å; R25-M45 HydrophobicContact CG-CE 3.79Å
26K95Very high90.8Very high39 Ų3941.7 Ų41.717%0.1727%0.271CS..Hα-helixtrans-63.4-42.5177.1-172.363.3175.7173.80111C22 L23 V24 G30 V31 A152 S155 V158C22-K26 WeakPolarHBondContact O-CB 3.03Å; C22-K26 PolarHBondContact O-N 2.88Å; L23-K26 PolarHBondContact O-N 2.95Å; V24-K26 VanDerWaalsContact C-N 3.33Å; V24-K26 PolarHBondContact O-N 3Å; K26-G30 PolarHBondContact NZ-O 3.14Å; K26-G30 WeakPolarHBondContact O-CA 3.37Å; K26-G30 PolarHBondContact O-N 2.97Å; K26-V31 WeakPolarHBondContact CA-O 3.4Å; K26-V31 PolarHBondContact N-O 3.06Å; K26-A152 WeakPolarHBondContact CD-O 3.4Å; K26-A152 WeakPolarHBondContact CG-O 3.36Å; K26-S155 WeakPolarHBondContact CE-OG 3.18Å; K26-S155 PolarHBondContact NZ-OG 3.37Å; K26-V158 HydrophobicContact CB-CG1 4.12Å; K26-V158 HydrophobicContact CG-CB 4.49Å; K26-V158 HydrophobicContact CG-CG1 4.09Å; K26-V158 HydrophobicContact CG-CG2 4.22Å
27F95.1Very high90.3Very high3 Ų344.5 Ų44.51%0.01328%0.283CS..Hα-helixtrans-69.3-46.9176.1178.3-118000113.1L23 V24 R25 K47 L49 L58 I60 V158 E159 F162L23-F27 WeakPolarHBondContact O-CB 3.46Å; L23-F27 PolarHBondContact O-N 3.4Å; V24-F27 PolarHBondContact O-N 3.46Å; R25-F27 VanDerWaalsContact C-N 3.32Å; R25-F27 PolarHBondContact O-N 3.03Å; F27-K47 HydrophobicContact CD1-CD 3.81Å; F27-K47 HydrophobicContact CD2-CD 4.21Å; F27-K47 VanDerWaalsContact CD2-NZ 3.34Å; F27-K47 HydrophobicContact CE1-CB 4.06Å; F27-K47 HydrophobicContact CE1-CD 3.46Å; F27-K47 VanDerWaalsContact CE1-CD 3.46Å; F27-K47 HydrophobicContact CE1-CG 4.31Å; F27-K47 HydrophobicContact CE2-CD 3.9Å; F27-K47 VanDerWaalsContact CE2-NZ 3.29Å; F27-K47 HydrophobicContact CG-CD 4.18Å; F27-K47 HydrophobicContact CZ-CD 3.53Å; F27-K47 WeakPolarHBondContact O-CD 3.26Å; F27-K47 WeakPolarHBondContact O-CE 3.16Å; F27-K47 PolarHBondContact O-NZ 2.87Å; F27-L49 HydrophobicContact CE2-CD2 4.39Å; F27-L49 HydrophobicContact CZ-CD1 4.17Å; F27-L49 HydrophobicContact CZ-CD2 3.92Å; F27-L49 HydrophobicContact CZ-CG 4.43Å; F27-L58 HydrophobicContact CE1-CD1 3.99Å; F27-L58 HydrophobicContact CZ-CD1 3.98Å; F27-I60 HydrophobicContact CD1-CD1 3.57Å; F27-I60 HydrophobicContact CE1-CD1 3.62Å; F27-V158 HydrophobicContact CB-CG1 3.86Å; F27-E159 WeakPolarHBondContact CD2-OE1 3.46Å; F27-E159 WeakPolarHBondContact CD2-OE2 3.32Å; F27-E159 WeakPolarHBondContact CE2-OE2 3.34Å; F27-F162 HydrophobicContact CB-CD2 3.64Å; F27-F162 HydrophobicContact CB-CE2 3.55Å; F27-F162 HydrophobicContact CB-CZ 4.37Å; F27-F162 HydrophobicContact CD1-CB 4.06Å; F27-F162 HydrophobicContact CD1-CD1 4.02Å; F27-F162 AromaticContact CD1-CD2 3.57Å; F27-F162 HydrophobicContact CD1-CD2 3.57Å; F27-F162 HydrophobicContact CD1-CE1 4.35Å; F27-F162 AromaticContact CD1-CE2 3.96Å; F27-F162 HydrophobicContact CD1-CE2 3.96Å; F27-F162 AromaticContact CD1-CG 3.61Å; F27-F162 HydrophobicContact CD1-CG 3.61Å; F27-F162 HydrophobicContact CD1-CZ 4.33Å; F27-F162 HydrophobicContact CD2-CB 4Å; F27-F162 AromaticContact CD2-CD2 3.6Å; F27-F162 HydrophobicContact CD2-CD2 3.6Å; F27-F162 HydrophobicContact CD2-CE2 4.4Å; F27-F162 HydrophobicContact CD2-CG 4.04Å; F27-F162 HydrophobicContact CE1-CB 3.57Å; F27-F162 AromaticContact CE1-CD1 3.99Å; F27-F162 HydrophobicContact CE1-CD1 3.99Å; F27-F162 HydrophobicContact CE1-CD2 4.02Å; F27-F162 AromaticContact CE1-CG 3.6Å; F27-F162 HydrophobicContact CE1-CG 3.6Å; F27-F162 HydrophobicContact CE2-CB 3.52Å; F27-F162 HydrophobicContact CE2-CD2 4.06Å; F27-F162 HydrophobicContact CE2-CG 4.04Å; F27-F162 HydrophobicContact CG-CB 4.24Å; F27-F162 AromaticContact CG-CD2 3.32Å; F27-F162 HydrophobicContact CG-CD2 3.32Å; F27-F162 AromaticContact CG-CE2 3.74Å; F27-F162 HydrophobicContact CG-CE2 3.74Å; F27-F162 AromaticContact CG-CG 3.82Å; F27-F162 HydrophobicContact CG-CG 3.82Å; F27-F162 HydrophobicContact CZ-CB 3.26Å; F27-F162 HydrophobicContact CZ-CD2 4.23Å; F27-F162 AromaticContact CZ-CG 3.81Å; F27-F162 HydrophobicContact CZ-CG 3.81Å
28T93.3Very high89.7Confident31 Ų3144.4 Ų44.419%0.1928%0.276CS..Hα-helixtrans-83.3-30.1-171.459.70000113.6V24 M45 K47 I60V24-T28 HydrophobicContact CG1-CG2 4.14Å; V24-T28 WeakPolarHBondContact O-CB 3.33Å; V24-T28 WeakPolarHBondContact O-CG2 3.12Å; V24-T28 PolarHBondContact O-N 3.09Å; V24-T28 PolarHBondContact O-OG1 3.32Å; T28-M45 HydrophobicContact CG2-CB 3.93Å; T28-M45 HydrophobicContact CG2-SD 4.24Å; T28-M45 PolarHBondContact OG1-SD 3.5Å; T28-K47 HydrophobicContact CG2-CB 4.31Å; T28-I60 HydrophobicContact CG2-CD1 3.87Å
29Q92.3Very high88.9Confident98 Ų9845.5 Ų45.546%0.45828%0.283SS..Hα-helixtrans-124.3-9.3-171.5-62.3168.3-1.100112.9R25 V31 M45R25-Q29 WeakPolarHBondContact O-CA 3.27Å; R25-Q29 VanDerWaalsContact O-CB 3.31Å; R25-Q29 WeakPolarHBondContact O-CB 3.45Å; R25-Q29 PolarHBondContact O-N 2.76Å; Q29-V31 HydrophobicContact CB-CG2 3.85Å; Q29-V31 PolarHBondContact O-N 3.46Å; Q29-M45 PolarHBondContact NE2-SD 3.29Å
30G92.4Very high87.8Confident44 Ų4451.7 Ų51.745%0.45431%0.312SS..SBendtrans75.30.5-176.300000114.7R25 K26R25-G30 PolarHBondContact O-N 3.26Å; K26-G30 PolarHBondContact NZ-O 3.14Å; K26-G30 WeakPolarHBondContact O-CA 3.37Å; K26-G30 PolarHBondContact O-N 2.97Å
31V90.7Very high86.9Confident62 Ų6251.9 Ų51.938%0.37632%0.317SS..  trans-104.1147.2-170.6-56.70000113R25 K26 Q29R25-V31 CarbonylContact C-O 3.59Å; R25-V31 HydrophobicContact CB-CG2 4.4Å; K26-V31 WeakPolarHBondContact CA-O 3.4Å; K26-V31 PolarHBondContact N-O 3.06Å; Q29-V31 HydrophobicContact CB-CG2 3.85Å; Q29-V31 PolarHBondContact O-N 3.46Å
32F88.5Confident86.3Confident82 Ų8253 Ų5336%0.3632%0.324SS..  trans-119.1100166.6-173.5-88.7000108.3C22 A152 L153C22-F32 HydrophobicContact CB-CD2 4.03Å; C22-F32 HydrophobicContact CB-CE2 3.72Å; F32-A152 HydrophobicContact CD2-CB 3.94Å; F32-A152 WeakPolarHBondContact CD2-O 3.31Å; F32-A152 HydrophobicContact CE2-CB 3.89Å; F32-L153 HydrophobicContact CD1-CD1 3.75Å; F32-L153 HydrophobicContact CD2-CB 4.39Å; F32-L153 HydrophobicContact CE1-CD1 3.79Å; F32-L153 HydrophobicContact CE2-CB 4.11Å; F32-L153 HydrophobicContact CG-CD1 4.2Å; F32-L153 HydrophobicContact CZ-CB 4.2Å; F32-L153 HydrophobicContact CZ-CD1 4.26Å
33P77.6Confident85.9Confident20 Ų2056.5 Ų56.513%0.1334%0.342CS..  trans-71.7130.1-174.429.8-36.2000110.8G35 Q36P33-G35 PolarHBondContact O-N 3.4Å; P33-Q36 HydrophobicContact CG-CB 4.23Å; P33-Q36 VanDerWaalsContact CG-OE1 3.28Å
34P76.7Confident85.5Confident128 Ų12860.2 Ų60.283%0.83136%0.358SS*.THydrogen-bonded Turntrans-64135.5171.627.3-32.6000109.7
35G76.6Confident85.3Confident74 Ų7461.7 Ų61.776%0.76337%0.365SS*.THydrogen-bonded Turntrans69.633.9174.900000115.2P33 T37P33-G35 PolarHBondContact O-N 3.4Å; G35-T37 PolarHBondContact O-N 3.14Å
36Q79.7Confident85.2Confident63 Ų6362.6 Ų62.629%0.29437%0.374SS..PPolyproline II helixtrans-48.7116.9174.3-177.758.367.600110.9T21 P33T21-Q36 HydrophobicContact CG2-CG 4.28Å; P33-Q36 HydrophobicContact CG-CB 4.23Å; P33-Q36 VanDerWaalsContact CG-OE1 3.28Å
37T81.5Confident85.1Confident109 Ų10962.9 Ų62.967%0.66938%0.375SS*.PPolyproline II helixtrans-79.1164177.756.10000110.8G35 T39G35-T37 PolarHBondContact O-N 3.14Å; T37-T39 PolarHBondContact O-N 2.86Å
38A81.8Confident84.9Confident59 Ų5965.2 Ų65.249%0.48839%0.39SS..PPolyproline II helixtrans-60.4129176.700000111I40A38-I40 PolarHBondContact O-N 3.21Å
39T78Confident84.7Confident24 Ų2464.8 Ų64.815%0.14739%0.387CS..PPolyproline II helixtrans-59.9131.9171.6-43.60000109.9T21 T37 A64T21-T39 PolarHBondContact OG1-OG1 3.31Å; T37-T39 PolarHBondContact O-N 2.86Å; T39-A64 VanDerWaalsContact O-CB 3.22Å; T39-A64 WeakPolarHBondContact O-CB 3.45Å
40I74.3Confident84.3Confident141 Ų14164.5 Ų64.572%0.72339%0.386SS*.  trans-105.1120.3173.9-60175.9000106.7A38 F69A38-I40 PolarHBondContact O-N 3.21Å; I40-F69 HydrophobicContact CG2-CE1 4.44Å; I40-F69 HydrophobicContact CG2-CZ 3.96Å
41G76.1Confident83.8Confident14 Ų1462.5 Ų62.514%0.14437%0.365CS..SBendtrans73.8-129.3-177.800000113.2A64G41-A64 WeakPolarHBondContact O-CB 3.41Å; G41-A64 PolarHBondContact O-N 3.04Å
42V81.3Confident83.3Confident38 Ų3860.5 Ų60.523%0.2336%0.358CS..EExtended strand (participates in β ladder)trans-135.6129.6-177.6179.80000108.8W61 D62 T63 I72 Y76V42-W61 HydrophobicContact CG1-CB 4.31Å; V42-W61 HydrophobicContact CG1-CE3 3.79Å; V42-D62 CarbonylContact C-O 3.52Å; V42-D62 VanDerWaalsContact CA-O 3.31Å; V42-D62 WeakPolarHBondContact CA-O 3.38Å; V42-D62 WeakPolarHBondContact CG1-O 3.44Å; V42-T63 HydrophobicContact CG1-CG2 4.41Å; V42-T63 HydrophobicContact CG2-CG2 4.26Å; V42-I72 HydrophobicContact CG2-CG2 3.71Å; V42-Y76 HydrophobicContact CB-CE2 4.14Å; V42-Y76 HydrophobicContact CG1-CE1 4.39Å; V42-Y76 HydrophobicContact CG1-CE2 4.16Å; V42-Y76 HydrophobicContact CG2-CD2 4.14Å; V42-Y76 HydrophobicContact CG2-CE2 3.63Å
43D86.7Confident83.1Confident86 Ų8662.6 Ų62.646%0.4637%0.372SS..EExtended strand (participates in β ladder)trans-103.4147.8175-144.2-4.4000109.9D62D43-D62 HydrophobicContact CB-CB 4.24Å; D43-D62 PolarHBondContact N-O 3.41Å; D43-D62 PolarHBondContact O-N 3.43Å
44F88.2Confident83.6Confident77 Ų7763 Ų6334%0.33837%0.373SS..EExtended strand (participates in β ladder)trans-127.9124.9-171.7173.6-104.9000111.4I46 Q59 W61F44-I46 HydrophobicContact CE1-CD1 3.64Å; F44-I46 HydrophobicContact CE1-CG1 3.55Å; F44-I46 HydrophobicContact CE2-CG1 4.28Å; F44-I46 HydrophobicContact CZ-CD1 3.59Å; F44-I46 HydrophobicContact CZ-CG1 3.41Å; F44-I46 VanDerWaalsContact CZ-CG1 3.41Å; F44-Q59 HydrophobicContact CE2-CB 3.77Å; F44-Q59 HydrophobicContact CE2-CG 3.75Å; F44-Q59 HydrophobicContact CZ-CB 4.3Å; F44-Q59 HydrophobicContact CZ-CG 3.77Å; F44-W61 HydrophobicContact CB-CE3 4.1Å; F44-W61 HydrophobicContact CB-CZ3 3.99Å; F44-W61 AromaticContact CD2-CD2 3.69Å; F44-W61 HydrophobicContact CD2-CD2 3.69Å; F44-W61 AromaticContact CD2-CE2 3.58Å; F44-W61 AromaticContact CD2-CE3 3.73Å; F44-W61 HydrophobicContact CD2-CE3 3.73Å; F44-W61 HydrophobicContact CD2-CG 4.41Å; F44-W61 AromaticContact CD2-CH2 3.7Å; F44-W61 HydrophobicContact CD2-CH2 3.7Å; F44-W61 AromaticContact CD2-CZ2 3.62Å; F44-W61 HydrophobicContact CD2-CZ2 3.62Å; F44-W61 AromaticContact CD2-CZ3 3.73Å; F44-W61 HydrophobicContact CD2-CZ3 3.73Å; F44-W61 HydrophobicContact CE2-CD2 4.29Å; F44-W61 AromaticContact CE2-CE2 3.72Å; F44-W61 HydrophobicContact CE2-CH2 4.05Å; F44-W61 AromaticContact CE2-CZ2 3.61Å; F44-W61 HydrophobicContact CE2-CZ2 3.61Å; F44-W61 HydrophobicContact CG-CE3 4.32Å; F44-W61 HydrophobicContact CG-CH2 4.25Å; F44-W61 HydrophobicContact CG-CZ3 4.09Å
45M91.8Very high84.1Confident33 Ų3361.4 Ų61.416%0.16335%0.353CS..EExtended strand (participates in β ladder)trans-128.7151.1175.6-60.7-131.3-160.200111.6V24 R25 T28 Q29 I60V24-M45 HydrophobicContact CG1-CB 4.16Å; V24-M45 HydrophobicContact CG1-CE 4.45Å; V24-M45 HydrophobicContact CG1-CG 3.98Å; V24-M45 HydrophobicContact CG1-SD 4.43Å; R25-M45 HydrophobicContact CG-CE 3.79Å; T28-M45 HydrophobicContact CG2-CB 3.93Å; T28-M45 HydrophobicContact CG2-SD 4.24Å; T28-M45 PolarHBondContact OG1-SD 3.5Å; Q29-M45 PolarHBondContact NE2-SD 3.29Å; M45-I60 PolarHBondContact N-O 2.83Å; M45-I60 PolarHBondContact O-N 3.01Å
46I91.7Very high84.7Confident89 Ų8957.9 Ų57.946%0.45632%0.317SS..EExtended strand (participates in β ladder)trans-120.7131172.4-57.2178.4000108.9F44 K57 L58 Q59F44-I46 HydrophobicContact CE1-CD1 3.64Å; F44-I46 HydrophobicContact CE1-CG1 3.55Å; F44-I46 HydrophobicContact CE2-CG1 4.28Å; F44-I46 HydrophobicContact CZ-CD1 3.59Å; F44-I46 HydrophobicContact CZ-CG1 3.41Å; F44-I46 VanDerWaalsContact CZ-CG1 3.41Å; I46-K57 HydrophobicContact CG2-CB 4.49Å; I46-L58 VanDerWaalsContact CA-O 3.25Å; I46-L58 WeakPolarHBondContact CA-O 3.34Å; I46-Q59 HydrophobicContact CG1-CG 4.3Å
47K93.2Very high85.3Confident45 Ų4556 Ų5620%0.19631%0.308CS..EExtended strand (participates in β ladder)trans-125.6133.1165.6-170.1178.6-179.3-176.30109F27 T28 L49 L58 E159F27-K47 HydrophobicContact CD1-CD 3.81Å; F27-K47 HydrophobicContact CD2-CD 4.21Å; F27-K47 VanDerWaalsContact CD2-NZ 3.34Å; F27-K47 HydrophobicContact CE1-CB 4.06Å; F27-K47 HydrophobicContact CE1-CD 3.46Å; F27-K47 VanDerWaalsContact CE1-CD 3.46Å; F27-K47 HydrophobicContact CE1-CG 4.31Å; F27-K47 HydrophobicContact CE2-CD 3.9Å; F27-K47 VanDerWaalsContact CE2-NZ 3.29Å; F27-K47 HydrophobicContact CG-CD 4.18Å; F27-K47 HydrophobicContact CZ-CD 3.53Å; F27-K47 WeakPolarHBondContact O-CD 3.26Å; F27-K47 WeakPolarHBondContact O-CE 3.16Å; F27-K47 PolarHBondContact O-NZ 2.87Å; T28-K47 HydrophobicContact CG2-CB 4.31Å; K47-L49 HydrophobicContact CD-CD2 4.04Å; K47-L49 HydrophobicContact CG-CD2 4.19Å; K47-L58 PolarHBondContact N-O 3.15Å; K47-L58 PolarHBondContact O-N 2.92Å; K47-E159 IonicContact NZ-OE1 2.89Å; K47-E159 PolarHBondContact NZ-OE1 3.09Å; K47-E159 IonicContact NZ-OE2 3.46Å; K47-E159 PolarHBondContact NZ-OE2 3.46Å
48T91Very high85.8Confident52 Ų5250.8 Ų50.832%0.31928%0.276SS..EExtended strand (participates in β ladder)trans-93.5124.6172.8-54.80000108.7K55 V56 K57T48-K55 HydrophobicContact CG2-CB 4.19Å; T48-K55 HydrophobicContact CG2-CG 4.34Å; T48-V56 CarbonylContact C-O 3.57Å; T48-V56 WeakPolarHBondContact CA-O 3.08Å; T48-K57 HydrophobicContact CG2-CG 4.38Å
49L89.2Confident86.4Confident23 Ų2349.7 Ų49.712%0.1226%0.261CS..EExtended strand (participates in β ladder)trans-105.1150.7173-57.6-175.8000110.3F27 K47 V56 L58F27-L49 HydrophobicContact CE2-CD2 4.39Å; F27-L49 HydrophobicContact CZ-CD1 4.17Å; F27-L49 HydrophobicContact CZ-CD2 3.92Å; F27-L49 HydrophobicContact CZ-CG 4.43Å; K47-L49 HydrophobicContact CD-CD2 4.04Å; K47-L49 HydrophobicContact CG-CD2 4.19Å; L49-V56 PolarHBondContact N-O 2.97Å; L49-V56 PolarHBondContact O-N 2.86Å; L49-L58 HydrophobicContact CD1-CD1 3.57Å; L49-L58 HydrophobicContact CD1-CG 4.21Å; L49-L58 HydrophobicContact CG-CD1 4.14Å; L49-L58 HydrophobicContact CG-CG 4.44Å
50M84.1Confident87.2Confident91 Ų9148.6 Ų48.645%0.44825%0.254SS..EExtended strand (participates in β ladder)trans-96.8120.8167.6-69.2-59.9-56.900109.3K55 S188M50-K55 HydrophobicContact CE-CG 4.41Å; M50-K55 HydrophobicContact SD-CG 3.51Å; M50-K55 VanDerWaalsContact SD-CG 3.51Å; M50-S188 PolarHBondContact O-OG 3.25Å
51V80.6Confident88Confident2 Ų244.3 Ų44.31%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-115.196.2173.81740000108D53 D54 V56 T166 F170 V185V51-D53 PolarHBondContact O-N 2.84Å; V51-D54 PolarHBondContact N-O 3.14Å; V51-D54 PolarHBondContact O-N 3.01Å; V51-D54 VanDerWaalsContact O-N 3.08Å; V51-V56 HydrophobicContact CB-CG2 4Å; V51-V56 HydrophobicContact CG2-CB 4.4Å; V51-V56 HydrophobicContact CG2-CG2 3.68Å; V51-T166 HydrophobicContact CG2-CG2 3.56Å; V51-F170 HydrophobicContact CB-CE2 4.39Å; V51-F170 HydrophobicContact CG1-CD2 4.31Å; V51-F170 HydrophobicContact CG1-CE2 4.07Å; V51-F170 HydrophobicContact CG2-CE2 4.31Å; V51-V185 HydrophobicContact CB-CG2 4.01Å; V51-V185 HydrophobicContact CG1-CG2 3.34Å; V51-V185 HydrophobicContact CG2-CG2 3.78Å
52G80.6Confident88.7Confident21 Ų2143.8 Ų43.822%0.21622%0.222CC..THydrogen-bonded Turntrans58.6-121.6-164.300000110.3
53D85.2Confident88.9Confident126 Ų12642 Ų4267%0.67421%0.212SC*.THydrogen-bonded Turntrans-91.4-6.5-179.4-54.5-58.2000112.7V51 R184V51-D53 PolarHBondContact O-N 2.84Å; D53-R184 IonicContact OD2-CZ 2.71Å; D53-R184 IonicContact OD2-NH1 2.64Å; D53-R184 PolarHBondContact OD2-NH1 2.79Å; D53-R184 IonicContact OD2-NH2 2.74Å
54D86.3Confident88.7Confident27 Ų2737.9 Ų37.914%0.14419%0.19CC..EExtended strand (participates in β ladder)trans-94.5131.7-173.6-69-29.4000112K5 Y6 V51K5-D54 HydrophobicContact CD-CB 4.03Å; K5-D54 WeakPolarHBondContact CD-OD1 3.5Å; K5-D54 WeakPolarHBondContact CD-OD2 3.49Å; K5-D54 WeakPolarHBondContact CE-OD1 3.39Å; K5-D54 WeakPolarHBondContact CE-OD2 3.01Å; K5-D54 IonicContact NZ-OD1 2.67Å; K5-D54 PolarHBondContact NZ-OD1 2.84Å; K5-D54 IonicContact NZ-OD2 3.52Å; K5-D54 PolarHBondContact NZ-OD2 3.42Å; Y6-D54 HydrophobicContact CD2-CB 4.34Å; Y6-D54 HydrophobicContact CE2-CB 4.06Å; Y6-D54 WeakPolarHBondContact CE2-OD2 3.13Å; V51-D54 PolarHBondContact N-O 3.14Å; V51-D54 PolarHBondContact O-N 3.01Å; V51-D54 VanDerWaalsContact O-N 3.08Å
55K88Confident88.1Confident95 Ų9534.8 Ų34.841%0.41318%0.179SC..EExtended strand (participates in β ladder)trans-80.8120.7169.3-75.8178.3-179.8-178.20110.6D3 K5 Y6 T48 M50D3-K55 VanDerWaalsContact O-CD 3.24Å; D3-K55 WeakPolarHBondContact O-CD 3.38Å; K5-K55 PolarHBondContact N-O 3.01Å; Y6-K55 PolarHBondContact N-O 2.83Å; T48-K55 HydrophobicContact CG2-CB 4.19Å; T48-K55 HydrophobicContact CG2-CG 4.34Å; M50-K55 HydrophobicContact CE-CG 4.41Å; M50-K55 HydrophobicContact SD-CG 3.51Å; M50-K55 VanDerWaalsContact SD-CG 3.51Å
56V90.1Very high87.3Confident0 Ų035.9 Ų35.90%018%0.184CC..EExtended strand (participates in β ladder)trans-112.9118.7177.4-178.40000109.3Y6 F8 T48 L49 V51 L58 T166 F170Y6-V56 HydrophobicContact CD2-CG2 4.12Å; F8-V56 HydrophobicContact CD2-CG1 3.34Å; F8-V56 HydrophobicContact CE2-CG1 3.44Å; F8-V56 VanDerWaalsContact CE2-CG1 3.44Å; T48-V56 CarbonylContact C-O 3.57Å; T48-V56 WeakPolarHBondContact CA-O 3.08Å; L49-V56 PolarHBondContact N-O 2.97Å; L49-V56 PolarHBondContact O-N 2.86Å; V51-V56 HydrophobicContact CB-CG2 4Å; V51-V56 HydrophobicContact CG2-CB 4.4Å; V51-V56 HydrophobicContact CG2-CG2 3.68Å; V56-L58 HydrophobicContact CG1-CD2 4.28Å; V56-T166 HydrophobicContact CB-CG2 4.38Å; V56-T166 HydrophobicContact CG1-CG2 3.91Å; V56-T166 HydrophobicContact CG2-CG2 4.23Å; V56-F170 HydrophobicContact CG2-CE2 3.88Å; V56-F170 HydrophobicContact CG2-CZ 3.83Å
57K91.6Very high86.2Confident23 Ų2338.1 Ų38.110%0.119%0.193CC..EExtended strand (participates in β ladder)trans-89.8121.2172.1-74.7-172.9-175.7170.20110.3E2 Y4 Y6 L7 F8 I46 T48E2-K57 PolarHBondContact O-NZ 3.18Å; Y4-K57 HydrophobicContact CD1-CD 3.45Å; Y4-K57 VanDerWaalsContact CD1-CD 3.45Å; Y4-K57 HydrophobicContact CD1-CG 4.25Å; Y4-K57 HydrophobicContact CD2-CD 4.36Å; Y4-K57 HydrophobicContact CD2-CG 4.47Å; Y4-K57 HydrophobicContact CE1-CD 3.95Å; Y4-K57 HydrophobicContact CG-CB 4.43Å; Y4-K57 HydrophobicContact CG-CD 3.63Å; Y4-K57 HydrophobicContact CG-CG 3.92Å; Y6-K57 PolarHBondContact O-N 2.97Å; L7-K57 CarbonylContact C-O 3.53Å; L7-K57 WeakPolarHBondContact CA-O 3.48Å; L7-K57 HydrophobicContact CD1-CB 3.7Å; F8-K57 PolarHBondContact N-O 3.09Å; I46-K57 HydrophobicContact CG2-CB 4.49Å; T48-K57 HydrophobicContact CG2-CG 4.38Å
58L92.9Very high85.3Confident0 Ų045.5 Ų45.50%022%0.219CC..EExtended strand (participates in β ladder)trans-93.2117.6167.6-62.7-173.9000109.4F8 V10 F27 I46 K47 L49 V56 I60 F162F8-L58 HydrophobicContact CB-CD2 3.74Å; F8-L58 HydrophobicContact CD2-CD2 3.99Å; F8-L58 HydrophobicContact CG-CD2 4.37Å; V10-L58 HydrophobicContact CG2-CD2 4.37Å; F27-L58 HydrophobicContact CE1-CD1 3.99Å; F27-L58 HydrophobicContact CZ-CD1 3.98Å; I46-L58 VanDerWaalsContact CA-O 3.25Å; I46-L58 WeakPolarHBondContact CA-O 3.34Å; K47-L58 PolarHBondContact N-O 3.15Å; K47-L58 PolarHBondContact O-N 2.92Å; L49-L58 HydrophobicContact CD1-CD1 3.57Å; L49-L58 HydrophobicContact CD1-CG 4.21Å; L49-L58 HydrophobicContact CG-CD1 4.14Å; L49-L58 HydrophobicContact CG-CG 4.44Å; V56-L58 HydrophobicContact CG1-CD2 4.28Å; L58-I60 HydrophobicContact CB-CD1 4.45Å; L58-I60 HydrophobicContact CB-CG1 4.14Å; L58-F162 HydrophobicContact CD1-CB 4.26Å
59Q93Very high84.5Confident37 Ų3745.2 Ų45.217%0.17321%0.214CC..EExtended strand (participates in β ladder)trans-89.4110.4164.7-79.8-172.8-21.600108.6L7 F8 K9 V10 F44 I46L7-Q59 HydrophobicContact CD1-CG 3.71Å; L7-Q59 HydrophobicContact CG-CG 4.5Å; F8-Q59 PolarHBondContact O-N 2.93Å; K9-Q59 CarbonylContact C-O 3.6Å; K9-Q59 WeakPolarHBondContact CA-O 3.48Å; K9-Q59 HydrophobicContact CG-CB 4.13Å; K9-Q59 VanDerWaalsContact CG-OE1 3.31Å; V10-Q59 PolarHBondContact N-O 3.42Å; F44-Q59 HydrophobicContact CE2-CB 3.77Å; F44-Q59 HydrophobicContact CE2-CG 3.75Å; F44-Q59 HydrophobicContact CZ-CB 4.3Å; F44-Q59 HydrophobicContact CZ-CG 3.77Å; I46-Q59 HydrophobicContact CG1-CG 4.3Å
60I94.4Very high83.7Confident0 Ų046.1 Ų46.10%022%0.216CC..EExtended strand (participates in β ladder)trans-109.4118.8-174.2-50.5173000108.3V10 L12 V24 F27 T28 M45 L58 F162V10-I60 WeakPolarHBondContact O-CA 3.1Å; L12-I60 HydrophobicContact CD1-CG2 3.48Å; L12-I60 VanDerWaalsContact CD1-CG2 3.48Å; V24-I60 HydrophobicContact CB-CG2 4.45Å; V24-I60 HydrophobicContact CG1-CB 4.5Å; V24-I60 HydrophobicContact CG1-CG2 3.95Å; V24-I60 HydrophobicContact CG2-CG2 3.67Å; F27-I60 HydrophobicContact CD1-CD1 3.57Å; F27-I60 HydrophobicContact CE1-CD1 3.62Å; T28-I60 HydrophobicContact CG2-CD1 3.87Å; M45-I60 PolarHBondContact N-O 2.83Å; M45-I60 PolarHBondContact O-N 3.01Å; L58-I60 HydrophobicContact CB-CD1 4.45Å; L58-I60 HydrophobicContact CB-CG1 4.14Å; I60-F162 HydrophobicContact CD1-CD1 4.09Å; I60-F162 HydrophobicContact CD1-CE1 3.96Å; I60-F162 HydrophobicContact CG1-CE1 4.45Å; I60-F162 HydrophobicContact CG2-CE1 4Å
61W92.9Very high83.2Confident51 Ų5145.7 Ų45.719%0.19322%0.222CC..EExtended strand (participates in β ladder)trans-103.1106.2178.2-59.789.4000108.6V10 V11 L12 V42 F44 Y76V10-W61 PolarHBondContact O-N 2.84Å; V11-W61 HydrophobicContact CG1-CB 4.4Å; V11-W61 HydrophobicContact CG2-CB 4.2Å; V11-W61 HydrophobicContact CG2-CG 4.46Å; L12-W61 PolarHBondContact N-O 3.11Å; V42-W61 HydrophobicContact CG1-CB 4.31Å; V42-W61 HydrophobicContact CG1-CE3 3.79Å; F44-W61 HydrophobicContact CB-CE3 4.1Å; F44-W61 HydrophobicContact CB-CZ3 3.99Å; F44-W61 AromaticContact CD2-CD2 3.69Å; F44-W61 HydrophobicContact CD2-CD2 3.69Å; F44-W61 AromaticContact CD2-CE2 3.58Å; F44-W61 AromaticContact CD2-CE3 3.73Å; F44-W61 HydrophobicContact CD2-CE3 3.73Å; F44-W61 HydrophobicContact CD2-CG 4.41Å; F44-W61 AromaticContact CD2-CH2 3.7Å; F44-W61 HydrophobicContact CD2-CH2 3.7Å; F44-W61 AromaticContact CD2-CZ2 3.62Å; F44-W61 HydrophobicContact CD2-CZ2 3.62Å; F44-W61 AromaticContact CD2-CZ3 3.73Å; F44-W61 HydrophobicContact CD2-CZ3 3.73Å; F44-W61 HydrophobicContact CE2-CD2 4.29Å; F44-W61 AromaticContact CE2-CE2 3.72Å; F44-W61 HydrophobicContact CE2-CH2 4.05Å; F44-W61 AromaticContact CE2-CZ2 3.61Å; F44-W61 HydrophobicContact CE2-CZ2 3.61Å; F44-W61 HydrophobicContact CG-CE3 4.32Å; F44-W61 HydrophobicContact CG-CH2 4.25Å; F44-W61 HydrophobicContact CG-CZ3 4.09Å; W61-Y76 AromaticContact CD2-CD1 3.69Å; W61-Y76 HydrophobicContact CD2-CD1 3.69Å; W61-Y76 AromaticContact CD2-CE1 3.8Å; W61-Y76 HydrophobicContact CD2-CE1 3.8Å; W61-Y76 AromaticContact CE3-CD1 3.64Å; W61-Y76 HydrophobicContact CE3-CD1 3.64Å; W61-Y76 AromaticContact CE3-CE1 3.26Å; W61-Y76 HydrophobicContact CE3-CE1 3.26Å; W61-Y76 HydrophobicContact CG-CD1 4.16Å; W61-Y76 HydrophobicContact CH2-CD1 4.46Å; W61-Y76 AromaticContact CH2-CE1 3.83Å; W61-Y76 HydrophobicContact CH2-CE1 3.83Å; W61-Y76 HydrophobicContact CZ2-CE1 4.32Å; W61-Y76 HydrophobicContact CZ3-CD1 4.06Å; W61-Y76 AromaticContact CZ3-CE1 3.28Å; W61-Y76 HydrophobicContact CZ3-CE1 3.28Å
62D90Very high82.7Confident3 Ų348.7 Ų48.72%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-86.4117.1173.1-17934.5000109.2K20 T21 V24 V42 D43K20-D62 VanDerWaalsContact CB-OD1 3.29Å; K20-D62 WeakPolarHBondContact CB-OD1 3.15Å; T21-D62 VanDerWaalsContact CA-OD2 3.26Å; T21-D62 WeakPolarHBondContact CA-OD2 3.19Å; T21-D62 WeakPolarHBondContact CB-OD2 3.5Å; T21-D62 WeakPolarHBondContact CG2-OD2 3.31Å; T21-D62 PolarHBondContact N-OD1 3.07Å; T21-D62 PolarHBondContact OG1-OD2 3.48Å; V24-D62 HydrophobicContact CG2-CB 4.14Å; V42-D62 CarbonylContact C-O 3.52Å; V42-D62 VanDerWaalsContact CA-O 3.31Å; V42-D62 WeakPolarHBondContact CA-O 3.38Å; V42-D62 WeakPolarHBondContact CG1-O 3.44Å; D43-D62 HydrophobicContact CB-CB 4.24Å; D43-D62 PolarHBondContact N-O 3.41Å; D43-D62 PolarHBondContact O-N 3.43Å
63T85.6Confident82.5Confident0 Ų047.8 Ų47.80%023%0.227CC..EExtended strand (participates in β ladder)trans-102.3147.3-17469.40000112V11 L12 K20 V42 G65 T73V11-T63 HydrophobicContact CG1-CG2 3.73Å; L12-T63 WeakPolarHBondContact O-CB 3.1Å; L12-T63 WeakPolarHBondContact O-CG2 3.4Å; L12-T63 PolarHBondContact O-OG1 3.26Å; K20-T63 WeakPolarHBondContact CE-O 3.38Å; V42-T63 HydrophobicContact CG1-CG2 4.41Å; V42-T63 HydrophobicContact CG2-CG2 4.26Å; T63-G65 PolarHBondContact O-N 2.88Å; T63-T73 HydrophobicContact CG2-CG2 4.03Å
64A82.7Confident82.3Confident0 Ų044.7 Ų44.70%021%0.209CC..PPolyproline II helixtrans-64.3127.6167.900000110.1T39 G41 Q66 F69T39-A64 VanDerWaalsContact O-CB 3.22Å; T39-A64 WeakPolarHBondContact O-CB 3.45Å; G41-A64 WeakPolarHBondContact O-CB 3.41Å; G41-A64 PolarHBondContact O-N 3.04Å; A64-Q66 VanDerWaalsContact C-N 3.27Å; A64-Q66 PolarHBondContact O-N 3.24Å; A64-F69 HydrophobicContact CB-CB 3.88Å; A64-F69 HydrophobicContact CB-CD2 3.56Å; A64-F69 HydrophobicContact CB-CE2 4.42Å; A64-F69 HydrophobicContact CB-CG 3.99Å
65G74.4Confident82.1Confident12 Ų1247.2 Ų47.212%0.12423%0.228CC..  trans-85.27.8177.900000114.6G14 A16 T63G14-G65 VanDerWaalsContact O-CA 3.23Å; G14-G65 WeakPolarHBondContact O-CA 3.29Å; A16-G65 PolarHBondContact N-O 3.03Å; A16-G65 VanDerWaalsContact N-O 3.12Å; T63-G65 PolarHBondContact O-N 2.88Å
66Q75.7Confident82Confident56 Ų5645.3 Ų45.326%0.26222%0.219SC..SBendtrans-85139.8177.2-59.1-174.43700110.2A16 A64 R68 F69A16-Q66 HydrophobicContact CB-CG 4.16Å; A64-Q66 VanDerWaalsContact C-N 3.27Å; A64-Q66 PolarHBondContact O-N 3.24Å; Q66-R68 PolarHBondContact O-N 3.1Å; Q66-F69 HydrophobicContact CB-CD2 3.93Å; Q66-F69 HydrophobicContact CB-CE2 4.4Å; Q66-F69 PolarHBondContact O-N 3.13Å
67E69.8Low81.9Confident136 Ų13645.3 Ų45.364%0.63622%0.219SC*.G310 helixtrans-54.4-39.6-178.2-167.4179.9-151.500113.3F69 R70E67-F69 PolarHBondContact O-N 3.26Å; E67-R70 WeakPolarHBondContact O-CB 3.41Å; E67-R70 PolarHBondContact O-N 3.2Å
68R73.1Confident81.7Confident200 Ų20054.2 Ų54.276%0.75525%0.252SS*.G310 helixtrans-61.1-13.7178.6-64.9-175.7-67174.8-0.9114.4Q66Q66-R68 PolarHBondContact O-N 3.1Å
69F75.1Confident81.5Confident47 Ų4756.7 Ų56.721%0.20627%0.269CS..G310 helixtrans-108.72.9176.7-59.1-59.2000113.6I40 A64 Q66 E67 S71 I72 T73I40-F69 HydrophobicContact CG2-CE1 4.44Å; I40-F69 HydrophobicContact CG2-CZ 3.96Å; A64-F69 HydrophobicContact CB-CB 3.88Å; A64-F69 HydrophobicContact CB-CD2 3.56Å; A64-F69 HydrophobicContact CB-CE2 4.42Å; A64-F69 HydrophobicContact CB-CG 3.99Å; Q66-F69 HydrophobicContact CB-CD2 3.93Å; Q66-F69 HydrophobicContact CB-CE2 4.4Å; Q66-F69 PolarHBondContact O-N 3.13Å; E67-F69 PolarHBondContact O-N 3.26Å; F69-S71 VanDerWaalsContact C-N 3.29Å; F69-S71 PolarHBondContact O-N 3.4Å; F69-I72 HydrophobicContact CD1-CD1 4Å; F69-I72 WeakPolarHBondContact O-CB 3.4Å; F69-I72 PolarHBondContact O-N 3.13Å; F69-T73 PolarHBondContact O-N 3.15Å
70R70.7Confident81.5Confident41 Ų4155.3 Ų55.316%0.15526%0.264CS..Hα-helixtrans-57-37.2-177.7-81.1-176.4178.6-170.90.4113.4E67 I72 T73 Q74 E100 W101 E104E67-R70 WeakPolarHBondContact O-CB 3.41Å; E67-R70 PolarHBondContact O-N 3.2Å; R70-I72 PolarHBondContact O-N 3.11Å; R70-T73 WeakPolarHBondContact O-CB 3.1Å; R70-T73 PolarHBondContact O-N 3.27Å; R70-T73 VanDerWaalsContact O-N 3.11Å; R70-Q74 WeakPolarHBondContact O-CG 3.46Å; R70-Q74 PolarHBondContact O-N 3.28Å; R70-Q74 VanDerWaalsContact O-N 3.1Å; R70-E100 IonicContact CZ-OE2 3.01Å; R70-E100 IonicContact NH1-OE2 2.62Å; R70-E100 PolarHBondContact NH1-OE2 3.29Å; R70-E100 IonicContact NH2-OE2 2.85Å; R70-E100 PolarHBondContact NH2-OE2 3.03Å; R70-W101 HydrophobicContact CG-CH2 4.46Å; R70-E104 WeakPolarHBondContact CD-OE2 3.14Å; R70-E104 IonicContact NE-OE2 3.3Å
71S74.5Confident81.5Confident82 Ų8258.3 Ų58.357%0.57328%0.278SS*.Hα-helixtrans-61.5-30.4177.558.50000113.4F69F69-S71 VanDerWaalsContact C-N 3.29Å; F69-S71 PolarHBondContact O-N 3.4Å
72I70.7Confident81.6Confident66 Ų6655.9 Ų55.934%0.33827%0.269SS..Hα-helixtrans-70.2-45.5175.5-59.5175.6000109.1V42 F69 R70 Q74 S75 Y76V42-I72 HydrophobicContact CG2-CG2 3.71Å; F69-I72 HydrophobicContact CD1-CD1 4Å; F69-I72 WeakPolarHBondContact O-CB 3.4Å; F69-I72 PolarHBondContact O-N 3.13Å; R70-I72 PolarHBondContact O-N 3.11Å; I72-Q74 VanDerWaalsContact C-N 3.27Å; I72-Q74 PolarHBondContact O-N 3.24Å; I72-S75 PolarHBondContact O-N 2.69Å; I72-S75 PolarHBondContact O-OG 3.33Å; I72-Y76 HydrophobicContact CG2-CE2 3.92Å; I72-Y76 WeakPolarHBondContact O-CD2 3.43Å; I72-Y76 WeakPolarHBondContact O-CE2 3.36Å
73T76.3Confident81.8Confident1 Ų155.8 Ų55.81%0.00627%0.268CS..Hα-helixtrans-57.6-38178.5-55.50000112.5V13 T63 F69 R70 S75 Y76 Y77V13-T73 HydrophobicContact CG1-CG2 3.81Å; T63-T73 HydrophobicContact CG2-CG2 4.03Å; F69-T73 PolarHBondContact O-N 3.15Å; R70-T73 WeakPolarHBondContact O-CB 3.1Å; R70-T73 PolarHBondContact O-N 3.27Å; R70-T73 VanDerWaalsContact O-N 3.11Å; T73-S75 PolarHBondContact O-N 3.32Å; T73-S75 VanDerWaalsContact O-N 3.14Å; T73-Y76 PolarHBondContact O-N 3.2Å; T73-Y77 HydrophobicContact CG2-CE1 4.37Å; T73-Y77 HydrophobicContact CG2-CE2 3.85Å; T73-Y77 WeakPolarHBondContact CG2-OH 3.39Å
74Q81.6Confident82.4Confident62 Ų6255.8 Ų55.829%0.2927%0.268SS..Hα-helixtrans-53.3-38.3-179.7-70.8174-1.500113.6R70 I72 Y76 Y77 Y108R70-Q74 WeakPolarHBondContact O-CG 3.46Å; R70-Q74 PolarHBondContact O-N 3.28Å; R70-Q74 VanDerWaalsContact O-N 3.1Å; I72-Q74 VanDerWaalsContact C-N 3.27Å; I72-Q74 PolarHBondContact O-N 3.24Å; Q74-Y76 PolarHBondContact O-N 3.43Å; Q74-Y77 PolarHBondContact O-N 3.02Å; Q74-Y108 HydrophobicContact CB-CD1 4.39Å; Q74-Y108 HydrophobicContact CB-CD2 4.29Å; Q74-Y108 HydrophobicContact CB-CE1 4.49Å; Q74-Y108 HydrophobicContact CB-CE2 4.44Å; Q74-Y108 HydrophobicContact CB-CG 4.3Å; Q74-Y108 VanDerWaalsContact CD-CZ 3.42Å; Q74-Y108 HydrophobicContact CG-CD1 4.49Å; Q74-Y108 HydrophobicContact CG-CD2 3.73Å; Q74-Y108 HydrophobicContact CG-CE1 4.3Å; Q74-Y108 HydrophobicContact CG-CE2 3.57Å; Q74-Y108 HydrophobicContact CG-CG 4.23Å; Q74-Y108 PolarHBondContact NE2-OH 3.41Å
75S81.4Confident83.1Confident79 Ų7955.8 Ų55.855%0.55227%0.268SS*.Hα-helixtrans-65.8-22.9-179.469.90000113.8I72 T73I72-S75 PolarHBondContact O-N 2.69Å; I72-S75 PolarHBondContact O-OG 3.33Å; T73-S75 PolarHBondContact O-N 3.32Å; T73-S75 VanDerWaalsContact O-N 3.14Å
76Y85.4Confident84.3Confident55 Ų5555.3 Ų55.322%0.21626%0.263CS..Hα-helixtrans-87.1-27.3-176.5-65.4-81.2000113.3V42 W61 I72 T73 Q74 R78 S79 A80V42-Y76 HydrophobicContact CB-CE2 4.14Å; V42-Y76 HydrophobicContact CG1-CE1 4.39Å; V42-Y76 HydrophobicContact CG1-CE2 4.16Å; V42-Y76 HydrophobicContact CG2-CD2 4.14Å; V42-Y76 HydrophobicContact CG2-CE2 3.63Å; W61-Y76 AromaticContact CD2-CD1 3.69Å; W61-Y76 HydrophobicContact CD2-CD1 3.69Å; W61-Y76 AromaticContact CD2-CE1 3.8Å; W61-Y76 HydrophobicContact CD2-CE1 3.8Å; W61-Y76 AromaticContact CE3-CD1 3.64Å; W61-Y76 HydrophobicContact CE3-CD1 3.64Å; W61-Y76 AromaticContact CE3-CE1 3.26Å; W61-Y76 HydrophobicContact CE3-CE1 3.26Å; W61-Y76 HydrophobicContact CG-CD1 4.16Å; W61-Y76 HydrophobicContact CH2-CD1 4.46Å; W61-Y76 AromaticContact CH2-CE1 3.83Å; W61-Y76 HydrophobicContact CH2-CE1 3.83Å; W61-Y76 HydrophobicContact CZ2-CE1 4.32Å; W61-Y76 HydrophobicContact CZ3-CD1 4.06Å; W61-Y76 AromaticContact CZ3-CE1 3.28Å; W61-Y76 HydrophobicContact CZ3-CE1 3.28Å; I72-Y76 HydrophobicContact CG2-CE2 3.92Å; I72-Y76 WeakPolarHBondContact O-CD2 3.43Å; I72-Y76 WeakPolarHBondContact O-CE2 3.36Å; T73-Y76 PolarHBondContact O-N 3.2Å; Q74-Y76 PolarHBondContact O-N 3.43Å; Y76-R78 PolarHBondContact O-N 3.05Å; Y76-S79 PolarHBondContact O-N 3.47Å; Y76-A80 PolarHBondContact O-N 3.28Å
77Y88.9Confident85.4Confident0 Ų052.6 Ų52.60%025%0.25CS..Hα-helixtrans-60.3-41.4-178.9-66.8-59000113.4V13 T73 Q74 S79 A80 I83 E104 I105 Y108V13-Y77 HydrophobicContact CG1-CE1 3.69Å; V13-Y77 HydrophobicContact CG2-CE1 4.44Å; T73-Y77 HydrophobicContact CG2-CE1 4.37Å; T73-Y77 HydrophobicContact CG2-CE2 3.85Å; T73-Y77 WeakPolarHBondContact CG2-OH 3.39Å; Q74-Y77 PolarHBondContact O-N 3.02Å; Y77-S79 PolarHBondContact O-N 3.48Å; Y77-S79 VanDerWaalsContact O-N 3.09Å; Y77-A80 WeakPolarHBondContact O-CB 3.43Å; Y77-A80 PolarHBondContact O-N 3.24Å; Y77-I83 HydrophobicContact CD1-CD1 3.53Å; Y77-I83 HydrophobicContact CD1-CG1 4.17Å; Y77-I83 HydrophobicContact CE1-CD1 4.11Å; Y77-E104 HydrophobicContact CE2-CG 3.66Å; Y77-E104 WeakPolarHBondContact CE2-OE1 3.23Å; Y77-E104 VanDerWaalsContact CZ-OE1 3.29Å; Y77-E104 PolarHBondContact OH-OE1 3.27Å; Y77-I105 HydrophobicContact CE1-CG1 3.9Å; Y77-Y108 HydrophobicContact CD2-CD2 4.26Å; Y77-Y108 HydrophobicContact CD2-CG 4.33Å; Y77-Y108 HydrophobicContact CE2-CD2 4.49Å
78R87.6Confident86.7Confident211 Ų21146.7 Ų46.780%0.79622%0.223SC*.THydrogen-bonded Turntrans-58-31.2-173.2-177.6173.7179.2162.21.7113.3Y76 Y108Y76-R78 PolarHBondContact O-N 3.05Å; R78-Y108 WeakPolarHBondContact CA-O 3.49Å; R78-Y108 PolarHBondContact N-O 2.82Å
79S88.2Confident88Confident51 Ų5137.2 Ų37.236%0.35719%0.187SC..THydrogen-bonded Turntrans-106.34-179.478.20000113.9K9 Y76 Y77K9-S79 VanDerWaalsContact CD-O 3.29Å; K9-S79 WeakPolarHBondContact CD-O 3.35Å; K9-S79 PolarHBondContact NZ-OG 3.08Å; Y76-S79 PolarHBondContact O-N 3.47Å; Y77-S79 PolarHBondContact O-N 3.48Å; Y77-S79 VanDerWaalsContact O-N 3.09Å
80A93.1Very high89.1Confident8 Ų835.4 Ų35.47%0.06618%0.181CC..  trans-67.7133.2177.400000110V11 Y76 Y77 I83 V113V11-A80 HydrophobicContact CB-CB 4.5Å; V11-A80 HydrophobicContact CG2-CB 3.74Å; Y76-A80 PolarHBondContact O-N 3.28Å; Y77-A80 WeakPolarHBondContact O-CB 3.43Å; Y77-A80 PolarHBondContact O-N 3.24Å; A80-I83 HydrophobicContact CB-CD1 4.42Å; A80-I83 HydrophobicContact CB-CG1 3.94Å; A80-V113 HydrophobicContact CB-CG2 4.13Å
81H93.1Very high90.4Very high64 Ų6435.3 Ų35.330%0.29619%0.186SC..SBendtrans-87-32.1167.5-61.686000110.1F8 K9 L114 H169F8-H81 HydrophobicContact CD1-CB 4.41Å; K9-H81 WeakPolarHBondContact CB-ND1 3.04Å; K9-H81 PolarHBondContact N-ND1 2.85Å; K9-H81 PolarHBondContact O-N 2.94Å; H81-L114 PolarHBondContact O-N 3.01Å; H81-H169 AromaticContact CD2-NE2 3.5Å
82A95.3Very high91.5Very high0 Ų034.5 Ų34.50%017%0.173CC..EExtended strand (participates in β ladder)trans-140.2147.9173.100000111.4K9 V10 V11 L114 V165K9-A82 PolarHBondContact O-N 2.73Å; K9-A82 VanDerWaalsContact O-N 3.14Å; V10-A82 WeakPolarHBondContact CA-O 3.25Å; V10-A82 HydrophobicContact CG1-CB 4.45Å; V11-A82 PolarHBondContact N-O 3.2Å; A82-L114 CarbonylContact C-O 3.54Å; A82-L114 VanDerWaalsContact CA-O 3.25Å; A82-L114 WeakPolarHBondContact CA-O 3.49Å; A82-L114 HydrophobicContact CB-CB 3.91Å; A82-L114 HydrophobicContact CB-CD2 4.09Å; A82-L114 HydrophobicContact CB-CG 4.46Å; A82-V165 HydrophobicContact CB-CB 4.4Å; A82-V165 HydrophobicContact CB-CG1 3.45Å; A82-V165 VanDerWaalsContact CB-CG1 3.45Å; A82-V165 HydrophobicContact CB-CG2 4.15Å
83I95.9Very high92.8Very high1 Ų135 Ų351%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-121.6127.3172.1-65.7163.3000107.8V11 V13 Y77 A80 I105 A109 V113 L114 I116V11-I83 WeakPolarHBondContact O-CA 3.38Å; V13-I83 HydrophobicContact CG2-CG2 3.59Å; Y77-I83 HydrophobicContact CD1-CD1 3.53Å; Y77-I83 HydrophobicContact CD1-CG1 4.17Å; Y77-I83 HydrophobicContact CE1-CD1 4.11Å; A80-I83 HydrophobicContact CB-CD1 4.42Å; A80-I83 HydrophobicContact CB-CG1 3.94Å; I83-I105 HydrophobicContact CD1-CG1 4.18Å; I83-I105 HydrophobicContact CD1-CG2 3.78Å; I83-I105 HydrophobicContact CG2-CD1 3.78Å; I83-I105 HydrophobicContact CG2-CG1 4.15Å; I83-A109 HydrophobicContact CD1-CB 3.62Å; I83-V113 HydrophobicContact CB-CG2 4.4Å; I83-V113 HydrophobicContact CD1-CB 4.46Å; I83-V113 HydrophobicContact CD1-CG1 4.1Å; I83-V113 HydrophobicContact CD1-CG2 3.66Å; I83-V113 HydrophobicContact CG1-CG2 3.71Å; I83-L114 PolarHBondContact N-O 3.03Å; I83-I116 PolarHBondContact O-N 3.27Å
84I97.5Very high93.9Very high0 Ų035.5 Ų35.50%018%0.184CC..EExtended strand (participates in β ladder)trans-105.1109.6172.2-58.4167.7000107.1V10 V11 L12 V13 V86 I116 A118 L161 F162 V165V10-I84 HydrophobicContact CG1-CD1 3.56Å; V10-I84 HydrophobicContact CG1-CG1 3.96Å; V11-I84 PolarHBondContact O-N 2.89Å; L12-I84 WeakPolarHBondContact CA-O 3.27Å; L12-I84 HydrophobicContact CD1-CD1 4.37Å; L12-I84 HydrophobicContact CG-CB 4.19Å; L12-I84 HydrophobicContact CG-CD1 4.39Å; V13-I84 PolarHBondContact N-O 2.82Å; I84-V86 HydrophobicContact CG2-CG2 3.82Å; I84-I116 CarbonylContact C-O 3.58Å; I84-I116 WeakPolarHBondContact CA-O 3.29Å; I84-I116 HydrophobicContact CG1-CB 4.25Å; I84-I116 HydrophobicContact CG1-CD1 4.48Å; I84-A118 HydrophobicContact CG2-CB 4Å; I84-L161 HydrophobicContact CD1-CD1 4Å; I84-L161 HydrophobicContact CD1-CD2 4.3Å; I84-L161 HydrophobicContact CD1-CG 4Å; I84-L161 HydrophobicContact CG1-CD1 4.26Å; I84-L161 HydrophobicContact CG2-CD1 3.82Å; I84-L161 HydrophobicContact CG2-CD2 4.24Å; I84-L161 HydrophobicContact CG2-CG 4.5Å; I84-F162 HydrophobicContact CD1-CD1 4.13Å; I84-F162 HydrophobicContact CD1-CE1 3.91Å; I84-V165 HydrophobicContact CD1-CG2 4.14Å; I84-V165 HydrophobicContact CG1-CG2 4.35Å
85L97.7Very high94.7Very high0 Ų033.5 Ų33.50%017%0.174CC..EExtended strand (participates in β ladder)trans-89122.4172.5179.657.1000109.1V13 L98 W101 I102 I116 L117 A118 F144V13-L85 HydrophobicContact CG2-CB 4.32Å; V13-L85 HydrophobicContact CG2-CD1 3.88Å; L85-L98 HydrophobicContact CD1-CD2 3.93Å; L85-L98 HydrophobicContact CD2-CB 4.38Å; L85-L98 HydrophobicContact CD2-CD2 3.45Å; L85-L98 VanDerWaalsContact CD2-CD2 3.45Å; L85-L98 HydrophobicContact CG-CD2 3.5Å; L85-L98 VanDerWaalsContact CG-CD2 3.5Å; L85-W101 HydrophobicContact CD1-CB 3.52Å; L85-W101 HydrophobicContact CD1-CD2 4.35Å; L85-W101 HydrophobicContact CD1-CG 3.69Å; L85-W101 HydrophobicContact CD2-CB 3.97Å; L85-W101 HydrophobicContact CG-CB 4.44Å; L85-I102 HydrophobicContact CD2-CG1 4.15Å; L85-I116 PolarHBondContact N-O 3.03Å; L85-L117 HydrophobicContact CB-CD1 4.32Å; L85-L117 HydrophobicContact CD2-CD1 4.34Å; L85-L117 HydrophobicContact CG-CD1 4.19Å; L85-A118 PolarHBondContact O-N 3.42Å; L85-F144 HydrophobicContact CB-CE1 4Å; L85-F144 HydrophobicContact CB-CZ 4.27Å; L85-F144 HydrophobicContact CD2-CE1 4.3Å; L85-F144 HydrophobicContact CD2-CZ 3.7Å
86V98.5Very high95.5Very high1 Ų134.4 Ų34.41%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-114.1132.8-173.4-1690000110.8L12 V13 V18 K20 L23 I84 A118 N120L12-V86 HydrophobicContact CD2-CG2 4.45Å; V13-V86 PolarHBondContact O-N 2.86Å; V18-V86 HydrophobicContact CB-CG1 4.17Å; V18-V86 HydrophobicContact CG2-CB 3.82Å; V18-V86 HydrophobicContact CG2-CG1 3.78Å; K20-V86 HydrophobicContact CG-CB 4.1Å; K20-V86 HydrophobicContact CG-CG2 4.03Å; L23-V86 HydrophobicContact CD1-CG1 4.06Å; L23-V86 HydrophobicContact CD1-CG2 4.26Å; I84-V86 HydrophobicContact CG2-CG2 3.82Å; V86-A118 WeakPolarHBondContact CA-O 3.39Å; V86-A118 HydrophobicContact CG2-CB 4.33Å; V86-N120 HydrophobicContact CG1-CB 3.71Å
87Y98.7Very high96.1Very high0 Ų035.9 Ų35.90%018%0.178CC..EExtended strand (participates in β ladder)trans-122.2168.2165.270.9-82.3000110.8V89 F95 L98 L117 A118 G119 N120 I130 F147Y87-V89 HydrophobicContact CE2-CB 4.47Å; Y87-V89 HydrophobicContact CE2-CG1 3.88Å; Y87-F95 HydrophobicContact CD1-CD2 4.26Å; Y87-F95 HydrophobicContact CD2-CB 4.26Å; Y87-F95 AromaticContact CD2-CD2 3.76Å; Y87-F95 HydrophobicContact CD2-CD2 3.76Å; Y87-F95 HydrophobicContact CE1-CD2 4.23Å; Y87-F95 HydrophobicContact CE1-CE2 4.39Å; Y87-F95 AromaticContact CE2-CD2 3.74Å; Y87-F95 HydrophobicContact CE2-CD2 3.74Å; Y87-F95 HydrophobicContact CE2-CE2 4.36Å; Y87-F95 HydrophobicContact CG-CD2 4.03Å; Y87-F95 AromaticContact CZ-CD2 3.99Å; Y87-L98 HydrophobicContact CD1-CD1 4.05Å; Y87-L98 HydrophobicContact CG-CD1 4.34Å; Y87-L117 HydrophobicContact CD1-CD1 3.95Å; Y87-L117 HydrophobicContact CD1-CG 4.34Å; Y87-L117 HydrophobicContact CE1-CD1 4.15Å; Y87-L117 HydrophobicContact CE1-CD2 4.23Å; Y87-L117 HydrophobicContact CE1-CG 4.04Å; Y87-A118 PolarHBondContact N-O 3.46Å; Y87-G119 VanDerWaalsContact CZ-CA 3.4Å; Y87-N120 PolarHBondContact O-N 2.97Å; Y87-I130 HydrophobicContact CD2-CD1 4.41Å; Y87-I130 HydrophobicContact CE2-CB 4.11Å; Y87-I130 HydrophobicContact CE2-CD1 4.42Å; Y87-I130 HydrophobicContact CE2-CG1 4.38Å; Y87-I130 HydrophobicContact CE2-CG2 4Å; Y87-F147 HydrophobicContact CE1-CE2 4.32Å
88D98.6Very high96.5Very high12 Ų1235.9 Ų35.96%0.06418%0.178CC..EExtended strand (participates in β ladder)trans-100.9121.5174.2-179.2-8.9000109V18 A90 C91 T94 K121 I130V18-D88 HydrophobicContact CB-CB 4.48Å; V18-D88 HydrophobicContact CG1-CB 4.41Å; D88-A90 PolarHBondContact O-N 3.38Å; D88-A90 PolarHBondContact OD1-N 2.94Å; D88-C91 HydrophobicContact CB-CB 3.91Å; D88-C91 PolarHBondContact O-N 2.86Å; D88-C91 VanDerWaalsContact O-N 3.08Å; D88-T94 HydrophobicContact CB-CG2 4.33Å; D88-T94 PolarHBondContact N-OG1 2.87Å; D88-T94 PolarHBondContact O-OG1 2.93Å; D88-K121 WeakPolarHBondContact OD2-CD 2.82Å; D88-K121 VanDerWaalsContact OD2-CE 3.24Å; D88-K121 WeakPolarHBondContact OD2-CE 3.42Å; D88-K121 IonicContact OD2-NZ 3.13Å; D88-K121 PolarHBondContact OD2-NZ 3.43Å; D88-I130 WeakPolarHBondContact O-CD1 3.38Å
89V98.8Very high97Very high0 Ų028.8 Ų28.80%016%0.16CC..THydrogen-bonded Turntrans-65.7-17.4-177.9-55.80000113.4Y87 N120 K121 E129 I130Y87-V89 HydrophobicContact CE2-CB 4.47Å; Y87-V89 HydrophobicContact CE2-CG1 3.88Å; V89-N120 PolarHBondContact N-O 3.47Å; V89-K121 WeakPolarHBondContact CG2-O 3.39Å; V89-E129 PolarHBondContact O-N 3.12Å; V89-I130 VanDerWaalsContact O-CD1 3.29Å; V89-I130 WeakPolarHBondContact O-CD1 3.42Å; V89-I130 PolarHBondContact O-N 2.77Å
90A98.5Very high97.3Very high10 Ų1029.6 Ų29.68%0.08316%0.158CC..THydrogen-bonded Turntrans-102.420.1176.800000112.3D88 K124 E127D88-A90 PolarHBondContact O-N 3.38Å; D88-A90 PolarHBondContact OD1-N 2.94Å; A90-K124 HydrophobicContact CB-CB 3.88Å; A90-K124 HydrophobicContact CB-CD 3.78Å; A90-E127 WeakPolarHBondContact CA-O 3.41Å; A90-E127 HydrophobicContact CB-CB 3.92Å; A90-E127 VanDerWaalsContact CB-O 3.32Å; A90-E127 WeakPolarHBondContact CB-O 3.29Å
91C98.3Very high97.4Very high39 Ų3929.3 Ų29.326%0.26416%0.155SC..  trans-149.691.9179.1-166.30000111.9D88 P93 T94D88-C91 HydrophobicContact CB-CB 3.91Å; D88-C91 PolarHBondContact O-N 2.86Å; D88-C91 VanDerWaalsContact O-N 3.08Å; C91-P93 VanDerWaalsContact C-CD 3.43Å; C91-P93 VanDerWaalsContact C-N 3.32Å; C91-T94 HydrophobicContact CB-CG2 3.93Å; C91-T94 WeakPolarHBondContact O-CB 3.32Å; C91-T94 PolarHBondContact O-N 3.23Å; C91-T94 PolarHBondContact O-OG1 3.42Å
92Q98.4Very high97.5Very high65 Ų6526.8 Ų26.830%0.30414%0.144SC..Hα-helixtrans-48.8-43.2177.7-174.166.351.600113.2T94 F95 D96 E129Q92-T94 PolarHBondContact O-N 3.38Å; Q92-F95 WeakPolarHBondContact O-CA 3.26Å; Q92-F95 WeakPolarHBondContact O-CB 3.35Å; Q92-F95 PolarHBondContact O-N 3.36Å; Q92-D96 PolarHBondContact NE2-OD1 3.25Å; Q92-D96 PolarHBondContact O-N 2.98Å; Q92-E129 WeakPolarHBondContact CA-OE2 3.42Å; Q92-E129 HydrophobicContact CB-CB 4.33Å; Q92-E129 WeakPolarHBondContact CB-OE2 3.42Å; Q92-E129 PolarHBondContact N-OE2 3.34Å
93P98.3Very high97.5Very high76 Ų7631 Ų3149%0.49417%0.169SC..Hα-helixtrans-58.4-24.6176.2-27.235.9000114.8C91 R97C91-P93 VanDerWaalsContact C-CD 3.43Å; C91-P93 VanDerWaalsContact C-N 3.32Å; P93-R97 WeakPolarHBondContact O-CG 3.33Å
94T98.1Very high97.3Very high12 Ų1231.6 Ų31.67%0.07417%0.172CC..Hα-helixtrans-77.1-31175.570.40000112.1N15 V18 D88 C91 Q92N15-T94 HydrophobicContact CB-CG2 4.2Å; V18-T94 HydrophobicContact CG1-CG2 3.76Å; D88-T94 HydrophobicContact CB-CG2 4.33Å; D88-T94 PolarHBondContact N-OG1 2.87Å; D88-T94 PolarHBondContact O-OG1 2.93Å; C91-T94 HydrophobicContact CB-CG2 3.93Å; C91-T94 WeakPolarHBondContact O-CB 3.32Å; C91-T94 PolarHBondContact O-N 3.23Å; C91-T94 PolarHBondContact O-OG1 3.42Å; Q92-T94 PolarHBondContact O-N 3.38Å
95F98.7Very high97.1Very high20 Ų2031.7 Ų31.79%0.08817%0.172CC..Hα-helixtrans-74.8-42.5175.3-172.6-93.2000111.6Y87 Q92 R97 L98 I130 V134 F138Y87-F95 HydrophobicContact CD1-CD2 4.26Å; Y87-F95 HydrophobicContact CD2-CB 4.26Å; Y87-F95 AromaticContact CD2-CD2 3.76Å; Y87-F95 HydrophobicContact CD2-CD2 3.76Å; Y87-F95 HydrophobicContact CE1-CD2 4.23Å; Y87-F95 HydrophobicContact CE1-CE2 4.39Å; Y87-F95 AromaticContact CE2-CD2 3.74Å; Y87-F95 HydrophobicContact CE2-CD2 3.74Å; Y87-F95 HydrophobicContact CE2-CE2 4.36Å; Y87-F95 HydrophobicContact CG-CD2 4.03Å; Y87-F95 AromaticContact CZ-CD2 3.99Å; Q92-F95 WeakPolarHBondContact O-CA 3.26Å; Q92-F95 WeakPolarHBondContact O-CB 3.35Å; Q92-F95 PolarHBondContact O-N 3.36Å; F95-R97 PolarHBondContact O-N 2.84Å; F95-L98 HydrophobicContact CD2-CD1 3.45Å; F95-L98 VanDerWaalsContact CD2-CD1 3.45Å; F95-L98 HydrophobicContact CE2-CD1 3.69Å; F95-L98 HydrophobicContact CG-CD1 4.01Å; F95-L98 HydrophobicContact CZ-CD1 4.41Å; F95-L98 VanDerWaalsContact O-CB 3.29Å; F95-L98 WeakPolarHBondContact O-CB 3.3Å; F95-L98 WeakPolarHBondContact O-CG 3.5Å; F95-L98 PolarHBondContact O-N 3.22Å; F95-I130 HydrophobicContact CB-CD1 4.09Å; F95-I130 HydrophobicContact CB-CG1 3.89Å; F95-I130 HydrophobicContact CD2-CG1 4.22Å; F95-I130 HydrophobicContact CD2-CG2 3.96Å; F95-I130 HydrophobicContact CE2-CG2 4Å; F95-I130 HydrophobicContact CG-CG1 4Å; F95-I130 HydrophobicContact CG-CG2 4.39Å; F95-I130 HydrophobicContact CZ-CG2 4.47Å; F95-V134 HydrophobicContact CE1-CG1 4.16Å; F95-V134 HydrophobicContact CZ-CG1 3.87Å; F95-F138 HydrophobicContact CE1-CD2 4.17Å; F95-F138 HydrophobicContact CE2-CB 4.25Å; F95-F138 HydrophobicContact CE2-CG 4.24Å; F95-F138 HydrophobicContact CZ-CB 3.72Å; F95-F138 AromaticContact CZ-CD2 3.79Å; F95-F138 HydrophobicContact CZ-CD2 3.79Å; F95-F138 AromaticContact CZ-CG 3.76Å; F95-F138 HydrophobicContact CZ-CG 3.76Å
96D98.3Very high97Very high97 Ų9736 Ų3652%0.51920%0.196SC..Hα-helixtrans-61.1-21.4179.4-64.6-19.5000113.2Q92 P99Q92-D96 PolarHBondContact NE2-OD1 3.25Å; Q92-D96 PolarHBondContact O-N 2.98Å; D96-P99 WeakPolarHBondContact O-CD 3.35Å
97R97Very high96.8Very high86 Ų8642.1 Ų42.133%0.32522%0.224SC..THydrogen-bonded Turntrans-90.4-6.5-179.9-63.3-71.8-74.1-169.92.3113.4N15 P93 F95 P99 E100 W101N15-R97 WeakPolarHBondContact OD1-CB 3.43Å; P93-R97 WeakPolarHBondContact O-CG 3.33Å; F95-R97 PolarHBondContact O-N 2.84Å; R97-P99 VanDerWaalsContact C-CD 3.44Å; R97-E100 IonicContact CZ-OE1 4Å; R97-E100 IonicContact CZ-OE2 3.38Å; R97-E100 IonicContact NE-OE1 2.66Å; R97-E100 PolarHBondContact NE-OE1 2.87Å; R97-E100 IonicContact NE-OE2 2.75Å; R97-E100 PolarHBondContact NE-OE2 2.9Å; R97-E100 IonicContact NH1-OE1 3.65Å; R97-E100 PolarHBondContact NH1-OE1 3.41Å; R97-E100 IonicContact NH1-OE2 2.69Å; R97-E100 VanDerWaalsContact NH2-CD 3.34Å; R97-E100 IonicContact NH2-OE1 2.74Å; R97-E100 PolarHBondContact NH2-OE1 2.95Å; R97-E100 IonicContact NH2-OE2 3.18Å; R97-E100 PolarHBondContact NH2-OE2 2.8Å; R97-E100 PolarHBondContact O-N 3.42Å; R97-W101 VanDerWaalsContact O-CD1 3.25Å; R97-W101 PolarHBondContact O-N 2.91Å
98L98Very high96.5Very high0 Ų045.5 Ų45.50%024%0.238CC..Hα-helixtrans-54.5-41.4178.1-67.1173.8000113.7L85 Y87 F95 E100 W101 I102 L117 F138L85-L98 HydrophobicContact CD1-CD2 3.93Å; L85-L98 HydrophobicContact CD2-CB 4.38Å; L85-L98 HydrophobicContact CD2-CD2 3.45Å; L85-L98 VanDerWaalsContact CD2-CD2 3.45Å; L85-L98 HydrophobicContact CG-CD2 3.5Å; L85-L98 VanDerWaalsContact CG-CD2 3.5Å; Y87-L98 HydrophobicContact CD1-CD1 4.05Å; Y87-L98 HydrophobicContact CG-CD1 4.34Å; F95-L98 HydrophobicContact CD2-CD1 3.45Å; F95-L98 VanDerWaalsContact CD2-CD1 3.45Å; F95-L98 HydrophobicContact CE2-CD1 3.69Å; F95-L98 HydrophobicContact CG-CD1 4.01Å; F95-L98 HydrophobicContact CZ-CD1 4.41Å; F95-L98 VanDerWaalsContact O-CB 3.29Å; F95-L98 WeakPolarHBondContact O-CB 3.3Å; F95-L98 WeakPolarHBondContact O-CG 3.5Å; F95-L98 PolarHBondContact O-N 3.22Å; L98-E100 PolarHBondContact O-N 3.2Å; L98-W101 PolarHBondContact O-N 2.9Å; L98-W101 VanDerWaalsContact O-N 3.09Å; L98-I102 WeakPolarHBondContact O-CG1 3.25Å; L98-I102 PolarHBondContact O-N 3.35Å; L98-L117 HydrophobicContact CD1-CD1 4.1Å; L98-L117 HydrophobicContact CD2-CD1 4.04Å; L98-F138 HydrophobicContact CB-CE1 3.79Å; L98-F138 HydrophobicContact CB-CE2 4.39Å; L98-F138 HydrophobicContact CB-CZ 3.5Å; L98-F138 HydrophobicContact CD1-CD1 4.07Å; L98-F138 HydrophobicContact CD1-CE1 3.71Å; L98-F138 HydrophobicContact CD1-CZ 4.03Å; L98-F138 HydrophobicContact CG-CE1 4.37Å; L98-F138 HydrophobicContact CG-CZ 4.43Å
99P97.7Very high96.2Very high63 Ų6345.9 Ų45.941%0.40924%0.242SC..Hα-helixtrans-57.7-33.1177.8-27.237.1000114.4D96 R97 I102 T103 F138D96-P99 WeakPolarHBondContact O-CD 3.35Å; R97-P99 VanDerWaalsContact C-CD 3.44Å; P99-I102 PolarHBondContact O-N 3.34Å; P99-T103 PolarHBondContact O-N 2.77Å; P99-T103 PolarHBondContact O-OG1 2.92Å; P99-F138 HydrophobicContact CG-CE2 4.44Å; P99-F138 HydrophobicContact CG-CZ 4.47Å
100E94.4Very high95.8Very high68 Ų6849.9 Ų49.932%0.31826%0.264SS..Hα-helixtrans-70.7-40.8176.3-63.1-175.9-173.400112R70 R97 L98 I102 T103 E104R70-E100 IonicContact CZ-OE2 3.01Å; R70-E100 IonicContact NH1-OE2 2.62Å; R70-E100 PolarHBondContact NH1-OE2 3.29Å; R70-E100 IonicContact NH2-OE2 2.85Å; R70-E100 PolarHBondContact NH2-OE2 3.03Å; R97-E100 IonicContact CZ-OE1 4Å; R97-E100 IonicContact CZ-OE2 3.38Å; R97-E100 IonicContact NE-OE1 2.66Å; R97-E100 PolarHBondContact NE-OE1 2.87Å; R97-E100 IonicContact NE-OE2 2.75Å; R97-E100 PolarHBondContact NE-OE2 2.9Å; R97-E100 IonicContact NH1-OE1 3.65Å; R97-E100 PolarHBondContact NH1-OE1 3.41Å; R97-E100 IonicContact NH1-OE2 2.69Å; R97-E100 VanDerWaalsContact NH2-CD 3.34Å; R97-E100 IonicContact NH2-OE1 2.74Å; R97-E100 PolarHBondContact NH2-OE1 2.95Å; R97-E100 IonicContact NH2-OE2 3.18Å; R97-E100 PolarHBondContact NH2-OE2 2.8Å; R97-E100 PolarHBondContact O-N 3.42Å; L98-E100 PolarHBondContact O-N 3.2Å; E100-I102 VanDerWaalsContact C-N 3.3Å; E100-T103 WeakPolarHBondContact O-CB 3.17Å; E100-T103 PolarHBondContact O-N 3.35Å; E100-E104 PolarHBondContact O-N 3.42Å
101W94.9Very high95.3Very high1 Ų158.6 Ų58.60%0.00430%0.303CS..Hα-helixtrans-64.5-38.9175.2-69.3106.2000111.2V13 G14 N15 R70 L85 R97 L98 E104 I105V13-W101 HydrophobicContact CB-CE3 4.05Å; V13-W101 HydrophobicContact CB-CZ3 4.16Å; G14-W101 VanDerWaalsContact C-CE2 3.48Å; G14-W101 VanDerWaalsContact CA-CE2 3.47Å; G14-W101 VanDerWaalsContact O-CZ2 3.27Å; G14-W101 WeakPolarHBondContact O-CZ2 3.26Å; N15-W101 PolarHBondContact OD1-NE1 3.49Å; R70-W101 HydrophobicContact CG-CH2 4.46Å; L85-W101 HydrophobicContact CD1-CB 3.52Å; L85-W101 HydrophobicContact CD1-CD2 4.35Å; L85-W101 HydrophobicContact CD1-CG 3.69Å; L85-W101 HydrophobicContact CD2-CB 3.97Å; L85-W101 HydrophobicContact CG-CB 4.44Å; R97-W101 VanDerWaalsContact O-CD1 3.25Å; R97-W101 PolarHBondContact O-N 2.91Å; L98-W101 PolarHBondContact O-N 2.9Å; L98-W101 VanDerWaalsContact O-N 3.09Å; W101-E104 PolarHBondContact O-N 2.77Å; W101-I105 WeakPolarHBondContact O-CD1 3.46Å; W101-I105 WeakPolarHBondContact O-CG1 3.29Å; W101-I105 PolarHBondContact O-N 3.39Å
102I96.1Very high94.9Very high12 Ų1265.1 Ų65.16%0.06233%0.327CS..Hα-helixtrans-61-46.6174.2-67.5162.1000110.5L85 L98 P99 E100 E104 I105 D106 F138 N142 F144L85-I102 HydrophobicContact CD2-CG1 4.15Å; L98-I102 WeakPolarHBondContact O-CG1 3.25Å; L98-I102 PolarHBondContact O-N 3.35Å; P99-I102 PolarHBondContact O-N 3.34Å; E100-I102 VanDerWaalsContact C-N 3.3Å; I102-E104 VanDerWaalsContact C-N 3.26Å; I102-E104 PolarHBondContact O-N 2.56Å; I102-I105 WeakPolarHBondContact O-CB 2.89Å; I102-I105 PolarHBondContact O-N 3.32Å; I102-I105 VanDerWaalsContact O-N 3.12Å; I102-D106 WeakPolarHBondContact O-CB 3.46Å; I102-D106 PolarHBondContact O-N 2.66Å; I102-F138 HydrophobicContact CD1-CE1 3.75Å; I102-F138 HydrophobicContact CD1-CZ 3.62Å; I102-N142 HydrophobicContact CD1-CB 3.9Å; I102-F144 HydrophobicContact CD1-CE2 3.92Å; I102-F144 HydrophobicContact CD1-CZ 4.3Å; I102-F144 HydrophobicContact CG1-CE2 4.11Å; I102-F144 HydrophobicContact CG1-CZ 4.05Å
103T94.9Very high94.6Very high88 Ų8862.4 Ų62.454%0.5431%0.314SS..Hα-helixtrans-56.4-42176.2-56.30000111.7P99 E100 Q107P99-T103 PolarHBondContact O-N 2.77Å; P99-T103 PolarHBondContact O-OG1 2.92Å; E100-T103 WeakPolarHBondContact O-CB 3.17Å; E100-T103 PolarHBondContact O-N 3.35Å; T103-Q107 WeakPolarHBondContact O-CB 3.39Å; T103-Q107 PolarHBondContact O-N 2.62Å; T103-Q107 VanDerWaalsContact O-N 3.08Å
104E92.1Very high94.5Very high13 Ų1359 Ų596%0.06129%0.292CS..Hα-helixtrans-66.2-44.7176.5-166.9177.6120.700111.7R70 Y77 E100 W101 I102 D106 Q107 Y108R70-E104 WeakPolarHBondContact CD-OE2 3.14Å; R70-E104 IonicContact NE-OE2 3.3Å; Y77-E104 HydrophobicContact CE2-CG 3.66Å; Y77-E104 WeakPolarHBondContact CE2-OE1 3.23Å; Y77-E104 VanDerWaalsContact CZ-OE1 3.29Å; Y77-E104 PolarHBondContact OH-OE1 3.27Å; E100-E104 PolarHBondContact O-N 3.42Å; W101-E104 PolarHBondContact O-N 2.77Å; I102-E104 VanDerWaalsContact C-N 3.26Å; I102-E104 PolarHBondContact O-N 2.56Å; E104-D106 VanDerWaalsContact C-N 3.35Å; E104-D106 PolarHBondContact O-N 2.82Å; E104-Q107 PolarHBondContact O-N 2.65Å; E104-Y108 HydrophobicContact CG-CD2 3.77Å; E104-Y108 HydrophobicContact CG-CE2 3.9Å; E104-Y108 WeakPolarHBondContact O-CD2 3.36Å; E104-Y108 PolarHBondContact O-N 3.46Å; E104-Y108 VanDerWaalsContact O-N 3.13Å
105I94.1Very high94.4Very high2 Ų260.5 Ų60.51%0.0130%0.296CS..Hα-helixtrans-58.7-47.6175.8-68.5164000110.3V13 Y77 I83 W101 I102 Q107 Y108 A109V13-I105 HydrophobicContact CG2-CD1 4.21Å; Y77-I105 HydrophobicContact CE1-CG1 3.9Å; I83-I105 HydrophobicContact CD1-CG1 4.18Å; I83-I105 HydrophobicContact CD1-CG2 3.78Å; I83-I105 HydrophobicContact CG2-CD1 3.78Å; I83-I105 HydrophobicContact CG2-CG1 4.15Å; W101-I105 WeakPolarHBondContact O-CD1 3.46Å; W101-I105 WeakPolarHBondContact O-CG1 3.29Å; W101-I105 PolarHBondContact O-N 3.39Å; I102-I105 WeakPolarHBondContact O-CB 2.89Å; I102-I105 PolarHBondContact O-N 3.32Å; I102-I105 VanDerWaalsContact O-N 3.12Å; I105-Q107 PolarHBondContact O-N 3.12Å; I105-Y108 PolarHBondContact O-N 2.89Å; I105-A109 HydrophobicContact CG2-CB 4.02Å; I105-A109 WeakPolarHBondContact O-CB 3.22Å; I105-A109 PolarHBondContact O-N 2.97Å
106D94.8Very high94.3Very high92 Ų9259.5 Ų59.549%0.49229%0.292SS..Hα-helixtrans-61-34.2178.8-72.1-27000112.4I102 E104 R115I102-D106 WeakPolarHBondContact O-CB 3.46Å; I102-D106 PolarHBondContact O-N 2.66Å; E104-D106 VanDerWaalsContact C-N 3.35Å; E104-D106 PolarHBondContact O-N 2.82Å; D106-R115 IonicContact OD1-CZ 3.4Å; D106-R115 IonicContact OD1-NH1 3.69Å; D106-R115 PolarHBondContact OD1-NH1 3Å; D106-R115 IonicContact OD1-NH2 3.69Å; D106-R115 PolarHBondContact OD1-NH2 3.27Å
107Q93.4Very high94.3Very high129 Ų12954.9 Ų54.960%0.60327%0.267SS*.Hα-helixtrans-75.6-36.3-178.5-172.9175.76.400113.3T103 E104 I105T103-Q107 WeakPolarHBondContact O-CB 3.39Å; T103-Q107 PolarHBondContact O-N 2.62Å; T103-Q107 VanDerWaalsContact O-N 3.08Å; E104-Q107 PolarHBondContact O-N 2.65Å; I105-Q107 PolarHBondContact O-N 3.12Å
108Y92.7Very high94.4Very high71 Ų7150.8 Ų50.828%0.27825%0.252SS..Hα-helixtrans-119.2-20.1-166.9-59.1-69.3000115.2Q74 Y77 R78 E104 I105Q74-Y108 HydrophobicContact CB-CD1 4.39Å; Q74-Y108 HydrophobicContact CB-CD2 4.29Å; Q74-Y108 HydrophobicContact CB-CE1 4.49Å; Q74-Y108 HydrophobicContact CB-CE2 4.44Å; Q74-Y108 HydrophobicContact CB-CG 4.3Å; Q74-Y108 VanDerWaalsContact CD-CZ 3.42Å; Q74-Y108 HydrophobicContact CG-CD1 4.49Å; Q74-Y108 HydrophobicContact CG-CD2 3.73Å; Q74-Y108 HydrophobicContact CG-CE1 4.3Å; Q74-Y108 HydrophobicContact CG-CE2 3.57Å; Q74-Y108 HydrophobicContact CG-CG 4.23Å; Q74-Y108 PolarHBondContact NE2-OH 3.41Å; Y77-Y108 HydrophobicContact CD2-CD2 4.26Å; Y77-Y108 HydrophobicContact CD2-CG 4.33Å; Y77-Y108 HydrophobicContact CE2-CD2 4.49Å; R78-Y108 WeakPolarHBondContact CA-O 3.49Å; R78-Y108 PolarHBondContact N-O 2.82Å; E104-Y108 HydrophobicContact CG-CD2 3.77Å; E104-Y108 HydrophobicContact CG-CE2 3.9Å; E104-Y108 WeakPolarHBondContact O-CD2 3.36Å; E104-Y108 PolarHBondContact O-N 3.46Å; E104-Y108 VanDerWaalsContact O-N 3.13Å; I105-Y108 PolarHBondContact O-N 2.89Å
109A93.6Very high94.4Very high19 Ų1950.8 Ų50.816%0.15725%0.252CS..SBendtrans-84.2160.2-178.200000112.5I83 I105 V113I83-A109 HydrophobicContact CD1-CB 3.62Å; I105-A109 HydrophobicContact CG2-CB 4.02Å; I105-A109 WeakPolarHBondContact O-CB 3.22Å; I105-A109 PolarHBondContact O-N 2.97Å; A109-V113 HydrophobicContact CB-CB 4.32Å; A109-V113 HydrophobicContact CB-CG1 3.79Å
110N90.2Very high94.5Very high85 Ų8548 Ų4846%0.45523%0.233SC..  trans-67.5143.6171-169.6-48.9000110K112 V113N110-K112 PolarHBondContact O-N 3Å; N110-K112 VanDerWaalsContact O-N 3.09Å; N110-K112 PolarHBondContact OD1-N 3.18Å; N110-V113 VanDerWaalsContact O-CB 3.26Å; N110-V113 WeakPolarHBondContact O-CB 3.21Å; N110-V113 WeakPolarHBondContact O-CG1 3.23Å; N110-V113 PolarHBondContact O-N 3.2Å
111Q87.4Confident94.6Very high193 Ų19347 Ų4790%0.90223%0.228SC*.THydrogen-bonded Turntrans-56.7-24.4174.9-68.8-177-2400114.1
112K89Confident94.8Very high176 Ų17648 Ų4877%0.76524%0.235SC*.THydrogen-bonded Turntrans-92.67.9177.9-60.9-175.2178.4-176.30113.8N110 L114N110-K112 PolarHBondContact O-N 3Å; N110-K112 VanDerWaalsContact O-N 3.09Å; N110-K112 PolarHBondContact OD1-N 3.18Å; K112-L114 PolarHBondContact O-N 2.98Å
113V93.5Very high94.9Very high8 Ų850 Ų505%0.04825%0.245CC..  trans-65.7130.4179.573.80000109.6A80 I83 A109 N110 R115A80-V113 HydrophobicContact CB-CG2 4.13Å; I83-V113 HydrophobicContact CB-CG2 4.4Å; I83-V113 HydrophobicContact CD1-CB 4.46Å; I83-V113 HydrophobicContact CD1-CG1 4.1Å; I83-V113 HydrophobicContact CD1-CG2 3.66Å; I83-V113 HydrophobicContact CG1-CG2 3.71Å; A109-V113 HydrophobicContact CB-CB 4.32Å; A109-V113 HydrophobicContact CB-CG1 3.79Å; N110-V113 VanDerWaalsContact O-CB 3.26Å; N110-V113 WeakPolarHBondContact O-CB 3.21Å; N110-V113 WeakPolarHBondContact O-CG1 3.23Å; N110-V113 PolarHBondContact O-N 3.2Å; V113-R115 HydrophobicContact CG1-CG 4.17Å; V113-R115 PolarHBondContact O-N 3.08Å
114L94.7Very high95Very high4 Ų448.9 Ų48.92%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-69.8128.5171.6-178.177000109.2H81 A82 I83 K112 I116 D145 V165 Q168 I172H81-L114 PolarHBondContact O-N 3.01Å; A82-L114 CarbonylContact C-O 3.54Å; A82-L114 VanDerWaalsContact CA-O 3.25Å; A82-L114 WeakPolarHBondContact CA-O 3.49Å; A82-L114 HydrophobicContact CB-CB 3.91Å; A82-L114 HydrophobicContact CB-CD2 4.09Å; A82-L114 HydrophobicContact CB-CG 4.46Å; I83-L114 PolarHBondContact N-O 3.03Å; K112-L114 PolarHBondContact O-N 2.98Å; L114-I116 HydrophobicContact CD2-CD1 3.98Å; L114-I116 HydrophobicContact CD2-CG1 4.2Å; L114-I116 HydrophobicContact CG-CG1 4.25Å; L114-D145 HydrophobicContact CD1-CB 3.47Å; L114-D145 VanDerWaalsContact CD1-CB 3.47Å; L114-D145 HydrophobicContact CG-CB 4.41Å; L114-V165 HydrophobicContact CD2-CB 4.47Å; L114-V165 HydrophobicContact CD2-CG1 4.46Å; L114-Q168 HydrophobicContact CD1-CB 3.65Å; L114-Q168 HydrophobicContact CD1-CG 4.32Å; L114-Q168 HydrophobicContact CD2-CB 3.69Å; L114-Q168 HydrophobicContact CD2-CG 4.49Å; L114-Q168 HydrophobicContact CG-CB 4.35Å; L114-I172 HydrophobicContact CD1-CD1 3.85Å
115R96.1Very high95.2Very high43 Ų4353.8 Ų53.816%0.16226%0.256CS..EExtended strand (participates in β ladder)trans-109.7120-179.9-61.7178.7-174.5-159.7-4.2110D106 V113 F144 D145 Y146D106-R115 IonicContact OD1-CZ 3.4Å; D106-R115 IonicContact OD1-NH1 3.69Å; D106-R115 PolarHBondContact OD1-NH1 3Å; D106-R115 IonicContact OD1-NH2 3.69Å; D106-R115 PolarHBondContact OD1-NH2 3.27Å; V113-R115 HydrophobicContact CG1-CG 4.17Å; V113-R115 PolarHBondContact O-N 3.08Å; R115-F144 HydrophobicContact CB-CD1 3.74Å; R115-F144 HydrophobicContact CB-CE1 4.14Å; R115-F144 HydrophobicContact CB-CG 4.37Å; R115-D145 PolarHBondContact N-OD2 2.97Å; R115-D145 PolarHBondContact O-N 2.95Å; R115-Y146 PolarHBondContact O-N 3.38Å
116I97.5Very high95.4Very high0 Ų063.5 Ų63.50%030%0.302CS..EExtended strand (participates in β ladder)trans-118.3130.6176-54.2-178.4000109.1I83 I84 L85 L114 F144 Y146 L148 L161 V165I83-I116 PolarHBondContact O-N 3.27Å; I84-I116 CarbonylContact C-O 3.58Å; I84-I116 WeakPolarHBondContact CA-O 3.29Å; I84-I116 HydrophobicContact CG1-CB 4.25Å; I84-I116 HydrophobicContact CG1-CD1 4.48Å; L85-I116 PolarHBondContact N-O 3.03Å; L114-I116 HydrophobicContact CD2-CD1 3.98Å; L114-I116 HydrophobicContact CD2-CG1 4.2Å; L114-I116 HydrophobicContact CG-CG1 4.25Å; I116-F144 VanDerWaalsContact C-CD1 3.49Å; I116-Y146 WeakPolarHBondContact CA-O 3.47Å; I116-Y146 HydrophobicContact CG2-CD1 4.23Å; I116-L148 HydrophobicContact CG2-CD2 3.97Å; I116-L161 HydrophobicContact CG2-CD1 3.77Å; I116-V165 HydrophobicContact CD1-CB 4.32Å; I116-V165 HydrophobicContact CD1-CG2 3.32Å
117L98.6Very high95.6Very high0 Ų064.5 Ų64.50%030%0.303CS..EExtended strand (participates in β ladder)trans-99.4126.4171.1-17666.7000109.3L85 Y87 L98 F138 A139 F144 Y146 F147 L148L85-L117 HydrophobicContact CB-CD1 4.32Å; L85-L117 HydrophobicContact CD2-CD1 4.34Å; L85-L117 HydrophobicContact CG-CD1 4.19Å; Y87-L117 HydrophobicContact CD1-CD1 3.95Å; Y87-L117 HydrophobicContact CD1-CG 4.34Å; Y87-L117 HydrophobicContact CE1-CD1 4.15Å; Y87-L117 HydrophobicContact CE1-CD2 4.23Å; Y87-L117 HydrophobicContact CE1-CG 4.04Å; L98-L117 HydrophobicContact CD1-CD1 4.1Å; L98-L117 HydrophobicContact CD2-CD1 4.04Å; L117-F138 HydrophobicContact CD2-CD1 3.76Å; L117-F138 HydrophobicContact CD2-CE1 4.45Å; L117-A139 HydrophobicContact CB-CB 4.19Å; L117-A139 HydrophobicContact CD2-CB 3.77Å; L117-F144 HydrophobicContact CB-CB 4.48Å; L117-F144 HydrophobicContact CB-CD1 3.63Å; L117-F144 HydrophobicContact CB-CD2 4.42Å; L117-F144 HydrophobicContact CB-CE1 3.91Å; L117-F144 HydrophobicContact CB-CG 3.92Å; L117-F144 HydrophobicContact CB-CZ 4.43Å; L117-F144 HydrophobicContact CD1-CE1 4.4Å; L117-F144 HydrophobicContact CD1-CZ 4.34Å; L117-Y146 PolarHBondContact N-O 3.23Å; L117-F147 HydrophobicContact CB-CD2 4.06Å; L117-F147 HydrophobicContact CD2-CD2 3.89Å; L117-F147 HydrophobicContact CD2-CE2 4.28Å; L117-F147 HydrophobicContact CG-CD2 3.97Å; L117-F147 HydrophobicContact CG-CE2 4.43Å; L117-F147 WeakPolarHBondContact O-CA 3.27Å; L117-L148 PolarHBondContact O-N 3.33Å
118A98.7Very high95.8Very high0 Ų061 Ų610%028%0.284CS..EExtended strand (participates in β ladder)trans-119.4114.3178.100000111.1I84 L85 V86 Y87 N120 L148 L161I84-A118 HydrophobicContact CG2-CB 4Å; L85-A118 PolarHBondContact O-N 3.42Å; V86-A118 WeakPolarHBondContact CA-O 3.39Å; V86-A118 HydrophobicContact CG2-CB 4.33Å; Y87-A118 PolarHBondContact N-O 3.46Å; A118-N120 PolarHBondContact O-N 3.41Å; A118-L148 WeakPolarHBondContact CA-O 3.49Å; A118-L161 HydrophobicContact CB-CD1 4.13Å; A118-L161 HydrophobicContact CB-CD2 4.43Å
119G98.8Very high96.1Very high0 Ų062.5 Ų62.50%029%0.294CS..EExtended strand (participates in β ladder)trans-8299.7166.600000109.8Y87 L148 E149 T150Y87-G119 VanDerWaalsContact CZ-CA 3.4Å; G119-L148 PolarHBondContact N-O 3.4Å; G119-L148 VanDerWaalsContact N-O 3.12Å; G119-E149 CarbonylContact O-C 3.45Å; G119-E149 WeakPolarHBondContact O-CA 3.31Å; G119-T150 PolarHBondContact O-N 3.13Å
120N98.7Very high96.3Very high3 Ų361.6 Ų61.62%0.01629%0.287CS..EExtended strand (participates in β ladder)trans-90.9163.2-176.8-172.638.4000112.2V18 L23 V86 Y87 V89 A118 T150 A152V18-N120 PolarHBondContact O-ND2 2.89Å; L23-N120 HydrophobicContact CD1-CB 4.26Å; V86-N120 HydrophobicContact CG1-CB 3.71Å; Y87-N120 PolarHBondContact O-N 2.97Å; V89-N120 PolarHBondContact N-O 3.47Å; A118-N120 PolarHBondContact O-N 3.41Å; N120-T150 CarbonylContact C-O 3.51Å; N120-T150 VanDerWaalsContact CA-O 3.31Å; N120-T150 WeakPolarHBondContact CA-O 3.33Å; N120-T150 WeakPolarHBondContact CA-OG1 3.38Å; N120-T150 PolarHBondContact OD1-O 2.89Å; N120-T150 PolarHBondContact OD1-OG1 2.79Å; N120-A152 PolarHBondContact OD1-N 3.38Å
121K97.9Very high96.7Very high48 Ų4860.2 Ų60.221%0.20928%0.282CS..  trans68.235.4-178.2-44.9-170.3-162.3163.80113.7G17 D88 V89 D123 K124 T150G17-K121 VanDerWaalsContact O-CE 3.29Å; G17-K121 WeakPolarHBondContact O-CE 3.48Å; G17-K121 PolarHBondContact O-NZ 3.27Å; D88-K121 WeakPolarHBondContact OD2-CD 2.82Å; D88-K121 VanDerWaalsContact OD2-CE 3.24Å; D88-K121 WeakPolarHBondContact OD2-CE 3.42Å; D88-K121 IonicContact OD2-NZ 3.13Å; D88-K121 PolarHBondContact OD2-NZ 3.43Å; V89-K121 WeakPolarHBondContact CG2-O 3.39Å; K121-D123 WeakPolarHBondContact CA-OD1 3.29Å; K121-D123 PolarHBondContact O-N 3.34Å; K121-K124 HydrophobicContact CB-CD 4.13Å; K121-K124 HydrophobicContact CB-CG 4.31Å; K121-K124 HydrophobicContact CD-CD 4.18Å; K121-K124 WeakPolarHBondContact O-CB 3.33Å; K121-K124 PolarHBondContact O-N 2.72Å; K121-T150 PolarHBondContact N-O 3.23Å
122C98.3Very high97.3Very high23 Ų2356.4 Ų56.416%0.15526%0.264CS..THydrogen-bonded Turntrans-62.3-6.317367.70000114.3K124 E149 T150C122-K124 PolarHBondContact O-N 3.46Å; C122-E149 HydrophobicContact CB-CB 4.06Å; C122-E149 VanDerWaalsContact CB-OE2 3.32Å; C122-E149 WeakPolarHBondContact CB-OE2 3.48Å; C122-T150 PolarHBondContact N-O 2.8Å; C122-T150 VanDerWaalsContact N-O 3.13Å; C122-T150 PolarHBondContact SG-O 3.25Å
123D97.7Very high97.7Very high52 Ų5255.9 Ų55.928%0.27826%0.258SS..THydrogen-bonded Turntrans-69.2-16.9166.356.4-80.3000114.2K121 E125 S151 L153 R154K121-D123 WeakPolarHBondContact CA-OD1 3.29Å; K121-D123 PolarHBondContact O-N 3.34Å; D123-E125 VanDerWaalsContact C-N 3.27Å; D123-E125 PolarHBondContact O-N 3.06Å; D123-S151 WeakPolarHBondContact CB-OG 3.41Å; D123-S151 VanDerWaalsContact CG-OG 3.24Å; D123-S151 VanDerWaalsContact OD1-CB 3.27Å; D123-S151 WeakPolarHBondContact OD1-CB 3.38Å; D123-S151 PolarHBondContact OD1-OG 2.83Å; D123-L153 WeakPolarHBondContact OD2-CD2 3.5Å; D123-R154 HydrophobicContact CB-CG 3.61Å
124K97.4Very high97.9Very high66 Ų6657.2 Ų57.229%0.28727%0.266SS..  trans-88.848.2177.7-67.3-175151.5-133.40112.7A90 K121 C122 E126 E127 R128A90-K124 HydrophobicContact CB-CB 3.88Å; A90-K124 HydrophobicContact CB-CD 3.78Å; K121-K124 HydrophobicContact CB-CD 4.13Å; K121-K124 HydrophobicContact CB-CG 4.31Å; K121-K124 HydrophobicContact CD-CD 4.18Å; K121-K124 WeakPolarHBondContact O-CB 3.33Å; K121-K124 PolarHBondContact O-N 2.72Å; C122-K124 PolarHBondContact O-N 3.46Å; K124-E126 VanDerWaalsContact C-N 3.28Å; K124-E126 PolarHBondContact O-N 2.91Å; K124-E127 HydrophobicContact CB-CB 4.34Å; K124-E127 IonicContact NZ-OE1 3.34Å; K124-E127 IonicContact NZ-OE2 2.97Å; K124-E127 PolarHBondContact NZ-OE2 3.09Å; K124-E127 CarbonylContact O-C 3.49Å; K124-E127 PolarHBondContact O-N 2.84Å; K124-R128 PolarHBondContact O-N 3.19Å; K124-R128 VanDerWaalsContact O-N 3.1Å
125E96.9Very high98.1Very high116 Ų11657 Ų5754%0.54227%0.265SS..G310 helixtrans-60.6-35.4-172.8-166.958.9-15000113.2D123 E127 R128D123-E125 VanDerWaalsContact C-N 3.27Å; D123-E125 PolarHBondContact O-N 3.06Å; E125-E127 VanDerWaalsContact C-N 3.28Å; E125-E127 PolarHBondContact O-N 3.41Å; E125-R128 VanDerWaalsContact CD-NE 3.29Å; E125-R128 VanDerWaalsContact O-CB 3.31Å; E125-R128 WeakPolarHBondContact O-CB 3.47Å; E125-R128 PolarHBondContact O-N 2.78Å; E125-R128 IonicContact OE1-NE 3.15Å; E125-R128 PolarHBondContact OE1-NE 3.08Å; E125-R128 VanDerWaalsContact OE1-NE 3.15Å; E125-R128 IonicContact OE2-CZ 3.29Å; E125-R128 VanDerWaalsContact OE2-CZ 3.29Å; E125-R128 IonicContact OE2-NE 2.83Å; E125-R128 PolarHBondContact OE2-NE 2.94Å; E125-R128 IonicContact OE2-NH2 3.27Å; E125-R128 PolarHBondContact OE2-NH2 2.9Å
126E97.9Very high98.2Very high206 Ų20656.8 Ų56.896%0.96327%0.272SS*.G310 helixtrans-69.9-24.2177.6-62.6179.7-179.700113.4K124K124-E126 VanDerWaalsContact C-N 3.28Å; K124-E126 PolarHBondContact O-N 2.91Å
127E98Very high98.3Very high113 Ų11360.5 Ų60.553%0.52829%0.289SS..G310 helixtrans-102.17.2178.4-59.3171-151.600111.5A90 K124 E125 E129A90-E127 WeakPolarHBondContact CA-O 3.41Å; A90-E127 HydrophobicContact CB-CB 3.92Å; A90-E127 VanDerWaalsContact CB-O 3.32Å; A90-E127 WeakPolarHBondContact CB-O 3.29Å; K124-E127 HydrophobicContact CB-CB 4.34Å; K124-E127 IonicContact NZ-OE1 3.34Å; K124-E127 IonicContact NZ-OE2 2.97Å; K124-E127 PolarHBondContact NZ-OE2 3.09Å; K124-E127 CarbonylContact O-C 3.49Å; K124-E127 PolarHBondContact O-N 2.84Å; E125-E127 VanDerWaalsContact C-N 3.28Å; E125-E127 PolarHBondContact O-N 3.41Å; E127-E129 PolarHBondContact O-N 2.87Å
128R98.6Very high98.3Very high54 Ų5461.5 Ų61.520%0.20429%0.294CS..  trans-62.2123.2-173.9178.2-179.8-71.3-85.55.7110.8K124 E125 I130 E149K124-R128 PolarHBondContact O-N 3.19Å; K124-R128 VanDerWaalsContact O-N 3.1Å; E125-R128 VanDerWaalsContact CD-NE 3.29Å; E125-R128 VanDerWaalsContact O-CB 3.31Å; E125-R128 WeakPolarHBondContact O-CB 3.47Å; E125-R128 PolarHBondContact O-N 2.78Å; E125-R128 IonicContact OE1-NE 3.15Å; E125-R128 PolarHBondContact OE1-NE 3.08Å; E125-R128 VanDerWaalsContact OE1-NE 3.15Å; E125-R128 IonicContact OE2-CZ 3.29Å; E125-R128 VanDerWaalsContact OE2-CZ 3.29Å; E125-R128 IonicContact OE2-NE 2.83Å; E125-R128 PolarHBondContact OE2-NE 2.94Å; E125-R128 IonicContact OE2-NH2 3.27Å; E125-R128 PolarHBondContact OE2-NH2 2.9Å; R128-I130 WeakPolarHBondContact CG-O 3.07Å; R128-I130 PolarHBondContact NH1-O 2.93Å; R128-E149 IonicContact CZ-OE1 2.88Å; R128-E149 IonicContact CZ-OE2 3.69Å; R128-E149 VanDerWaalsContact NH1-CD 3.34Å; R128-E149 IonicContact NH1-OE1 3.83Å; R128-E149 PolarHBondContact NH1-OE1 2.54Å; R128-E149 IonicContact NH1-OE2 2.73Å; R128-E149 PolarHBondContact NH1-OE2 3.25Å; R128-E149 IonicContact NH2-OE1 2.92Å; R128-E149 IonicContact NH2-OE2 3.95Å; R128-E149 PolarHBondContact NH2-OE2 3.29Å
129E98.6Very high98.3Very high103 Ų10361.7 Ų61.748%0.48130%0.295SS..  trans-103.7-30.7175.5-65-178.8-171.300111.3V89 Q92 E127V89-E129 PolarHBondContact O-N 3.12Å; Q92-E129 WeakPolarHBondContact CA-OE2 3.42Å; Q92-E129 HydrophobicContact CB-CB 4.33Å; Q92-E129 WeakPolarHBondContact CB-OE2 3.42Å; Q92-E129 PolarHBondContact N-OE2 3.34Å; E127-E129 PolarHBondContact O-N 2.87Å
130I98.6Very high98.3Very high1 Ų169.2 Ų69.21%0.00533%0.33CS..SBendtrans-109113.4-179.7-5493.1000110.2Y87 D88 V89 F95 R128 V134Y87-I130 HydrophobicContact CD2-CD1 4.41Å; Y87-I130 HydrophobicContact CE2-CB 4.11Å; Y87-I130 HydrophobicContact CE2-CD1 4.42Å; Y87-I130 HydrophobicContact CE2-CG1 4.38Å; Y87-I130 HydrophobicContact CE2-CG2 4Å; D88-I130 WeakPolarHBondContact O-CD1 3.38Å; V89-I130 VanDerWaalsContact O-CD1 3.29Å; V89-I130 WeakPolarHBondContact O-CD1 3.42Å; V89-I130 PolarHBondContact O-N 2.77Å; F95-I130 HydrophobicContact CB-CD1 4.09Å; F95-I130 HydrophobicContact CB-CG1 3.89Å; F95-I130 HydrophobicContact CD2-CG1 4.22Å; F95-I130 HydrophobicContact CD2-CG2 3.96Å; F95-I130 HydrophobicContact CE2-CG2 4Å; F95-I130 HydrophobicContact CG-CG1 4Å; F95-I130 HydrophobicContact CG-CG2 4.39Å; F95-I130 HydrophobicContact CZ-CG2 4.47Å; R128-I130 WeakPolarHBondContact CG-O 3.07Å; R128-I130 PolarHBondContact NH1-O 2.93Å; I130-V134 HydrophobicContact CG2-CB 4.16Å; I130-V134 HydrophobicContact CG2-CG1 4.16Å
131P98.4Very high98.3Very high55 Ų5577 Ų7736%0.35736%0.36SS..  trans-63.8143.5171.6-21.833.2000112R133 V134 G135P131-R133 HydrophobicContact CB-CG 4.12Å; P131-R133 PolarHBondContact O-N 3.3Å; P131-R133 VanDerWaalsContact O-N 3.17Å; P131-V134 HydrophobicContact CB-CG2 4.11Å; P131-V134 HydrophobicContact CG-CG2 4.08Å; P131-V134 WeakPolarHBondContact O-CB 3.5Å; P131-V134 PolarHBondContact O-N 2.94Å; P131-G135 PolarHBondContact O-N 3.47Å
132E98.5Very high98.3Very high113 Ų11377.4 Ų77.453%0.52836%0.364SS..Hα-helixtrans-52.2-42.5179.3-177.9175.7-165.300112.5V134 G135 A136 F147 E149E132-V134 VanDerWaalsContact C-N 3.25Å; E132-V134 PolarHBondContact O-N 2.74Å; E132-G135 WeakPolarHBondContact O-CA 3.27Å; E132-G135 PolarHBondContact O-N 3.26Å; E132-G135 VanDerWaalsContact O-N 3.1Å; E132-A136 PolarHBondContact O-N 2.97Å; E132-F147 HydrophobicContact CG-CE1 3.95Å; E132-F147 HydrophobicContact CG-CZ 4.3Å; E132-E149 VanDerWaalsContact CA-OE1 3.27Å; E132-E149 WeakPolarHBondContact CA-OE1 3.24Å; E132-E149 WeakPolarHBondContact CB-OE1 3.29Å; E132-E149 HydrophobicContact CG-CG 4.07Å
133R98.4Very high98.1Very high165 Ų16578.6 Ų78.662%0.62338%0.381SS*.Hα-helixtrans-57.7-35.4176.670.7-178.7-175.889.4-0.2113.3P131 A136 E137P131-R133 HydrophobicContact CB-CG 4.12Å; P131-R133 PolarHBondContact O-N 3.3Å; P131-R133 VanDerWaalsContact O-N 3.17Å; R133-A136 PolarHBondContact O-N 3.47Å; R133-E137 IonicContact NH1-OE1 3.66Å; R133-E137 WeakPolarHBondContact O-CB 3.27Å; R133-E137 WeakPolarHBondContact O-CG 3.5Å; R133-E137 PolarHBondContact O-N 3.31Å
134V98.6Very high98.1Very high37 Ų3777.1 Ų77.122%0.22437%0.372CS..Hα-helixtrans-70.3-39.3179.3174.70000109.9F95 I130 P131 E132 F138F95-V134 HydrophobicContact CE1-CG1 4.16Å; F95-V134 HydrophobicContact CZ-CG1 3.87Å; I130-V134 HydrophobicContact CG2-CB 4.16Å; I130-V134 HydrophobicContact CG2-CG1 4.16Å; P131-V134 HydrophobicContact CB-CG2 4.11Å; P131-V134 HydrophobicContact CG-CG2 4.08Å; P131-V134 WeakPolarHBondContact O-CB 3.5Å; P131-V134 PolarHBondContact O-N 2.94Å; E132-V134 VanDerWaalsContact C-N 3.25Å; E132-V134 PolarHBondContact O-N 2.74Å; V134-F138 VanDerWaalsContact O-CB 3.22Å; V134-F138 WeakPolarHBondContact O-CB 3.48Å; V134-F138 PolarHBondContact O-N 2.99Å
135G98.6Very high98Very high0 Ų077.8 Ų77.80%038%0.378CS..Hα-helixtrans-61.1-47.4171.600000112.3P131 E132 F138 A139P131-G135 PolarHBondContact O-N 3.47Å; E132-G135 WeakPolarHBondContact O-CA 3.27Å; E132-G135 PolarHBondContact O-N 3.26Å; E132-G135 VanDerWaalsContact O-N 3.1Å; G135-F138 PolarHBondContact O-N 3.08Å; G135-A139 WeakPolarHBondContact O-CB 3.22Å; G135-A139 PolarHBondContact O-N 2.82Å
136A98.6Very high98Very high38 Ų3875 Ų7531%0.31436%0.363SS..Hα-helixtrans-62.1-50178.200000112.5E132 R133 F138 A139 E140 F147E132-A136 PolarHBondContact O-N 2.97Å; R133-A136 PolarHBondContact O-N 3.47Å; A136-F138 VanDerWaalsContact C-N 3.26Å; A136-F138 PolarHBondContact O-N 3.34Å; A136-A139 WeakPolarHBondContact O-CB 3.35Å; A136-A139 PolarHBondContact O-N 3.27Å; A136-A139 VanDerWaalsContact O-N 3.14Å; A136-E140 PolarHBondContact O-N 2.64Å; A136-F147 HydrophobicContact CB-CD1 3.65Å; A136-F147 HydrophobicContact CB-CE1 3.74Å; A136-F147 HydrophobicContact CB-CG 4.46Å
137E98.7Very high97.9Very high78 Ų7866.9 Ų66.936%0.36433%0.325SS..Hα-helixtrans-61.3-35.2176.3-73.4168.9-159.700111.7R133 R141R133-E137 IonicContact NH1-OE1 3.66Å; R133-E137 WeakPolarHBondContact O-CB 3.27Å; R133-E137 WeakPolarHBondContact O-CG 3.5Å; R133-E137 PolarHBondContact O-N 3.31Å; E137-R141 WeakPolarHBondContact O-CB 3.36Å; E137-R141 WeakPolarHBondContact O-CG 3.28Å; E137-R141 PolarHBondContact O-N 3.35Å; E137-R141 VanDerWaalsContact O-N 3.13Å; E137-R141 PolarHBondContact O-NE 2.86Å
138F98.8Very high98Very high20 Ų2062 Ų629%0.08830%0.302CS..Hα-helixtrans-67.4-43.7174.1-178.7-83.1000111.5F95 L98 P99 I102 L117 V134 G135 A136 R141 N142 F144F95-F138 HydrophobicContact CE1-CD2 4.17Å; F95-F138 HydrophobicContact CE2-CB 4.25Å; F95-F138 HydrophobicContact CE2-CG 4.24Å; F95-F138 HydrophobicContact CZ-CB 3.72Å; F95-F138 AromaticContact CZ-CD2 3.79Å; F95-F138 HydrophobicContact CZ-CD2 3.79Å; F95-F138 AromaticContact CZ-CG 3.76Å; F95-F138 HydrophobicContact CZ-CG 3.76Å; L98-F138 HydrophobicContact CB-CE1 3.79Å; L98-F138 HydrophobicContact CB-CE2 4.39Å; L98-F138 HydrophobicContact CB-CZ 3.5Å; L98-F138 HydrophobicContact CD1-CD1 4.07Å; L98-F138 HydrophobicContact CD1-CE1 3.71Å; L98-F138 HydrophobicContact CD1-CZ 4.03Å; L98-F138 HydrophobicContact CG-CE1 4.37Å; L98-F138 HydrophobicContact CG-CZ 4.43Å; P99-F138 HydrophobicContact CG-CE2 4.44Å; P99-F138 HydrophobicContact CG-CZ 4.47Å; I102-F138 HydrophobicContact CD1-CE1 3.75Å; I102-F138 HydrophobicContact CD1-CZ 3.62Å; L117-F138 HydrophobicContact CD2-CD1 3.76Å; L117-F138 HydrophobicContact CD2-CE1 4.45Å; V134-F138 VanDerWaalsContact O-CB 3.22Å; V134-F138 WeakPolarHBondContact O-CB 3.48Å; V134-F138 PolarHBondContact O-N 2.99Å; G135-F138 PolarHBondContact O-N 3.08Å; A136-F138 VanDerWaalsContact C-N 3.26Å; A136-F138 PolarHBondContact O-N 3.34Å; F138-R141 PolarHBondContact O-N 2.92Å; F138-N142 HydrophobicContact CE1-CB 4.39Å; F138-N142 WeakPolarHBondContact CE2-ND2 3.47Å; F138-N142 WeakPolarHBondContact O-CB 3.46Å; F138-N142 PolarHBondContact O-N 3.44Å; F138-N142 VanDerWaalsContact O-N 3.08Å; F138-N142 PolarHBondContact O-ND2 2.71Å; F138-F144 HydrophobicContact CE1-CE2 4.25Å
139A98.6Very high98Very high4 Ų459.9 Ų59.93%0.03330%0.295CS..Hα-helixtrans-59.5-48.8178.700000111.3L117 G135 A136 N142 G143 F144 F147L117-A139 HydrophobicContact CB-CB 4.19Å; L117-A139 HydrophobicContact CD2-CB 3.77Å; G135-A139 WeakPolarHBondContact O-CB 3.22Å; G135-A139 PolarHBondContact O-N 2.82Å; A136-A139 WeakPolarHBondContact O-CB 3.35Å; A136-A139 PolarHBondContact O-N 3.27Å; A136-A139 VanDerWaalsContact O-N 3.14Å; A139-N142 PolarHBondContact O-N 3.24Å; A139-G143 PolarHBondContact O-N 3.05Å; A139-F144 HydrophobicContact CB-CB 3.88Å; A139-F144 HydrophobicContact CB-CD2 4.4Å; A139-F144 HydrophobicContact CB-CG 4.33Å; A139-F144 PolarHBondContact O-N 2.81Å; A139-F147 HydrophobicContact CB-CB 3.64Å; A139-F147 HydrophobicContact CB-CD2 4.28Å; A139-F147 HydrophobicContact CB-CG 4.15Å
140E98.1Very high97.9Very high158 Ų15855 Ų5574%0.73827%0.272SS*.Hα-helixtrans-59.9-50178.3-176.1179.5-163.500111.4A136 N142 G143A136-E140 PolarHBondContact O-N 2.64Å; E140-N142 PolarHBondContact O-N 2.95Å; E140-G143 PolarHBondContact O-N 3.47Å
141R98.2Very high97.9Very high167 Ų16755 Ų5563%0.6327%0.272SS*.Hα-helixtrans-62.8-27.8-179.2-75.8-179.6-64.5-168.7-0.4113.9E137 F138E137-R141 WeakPolarHBondContact O-CB 3.36Å; E137-R141 WeakPolarHBondContact O-CG 3.28Å; E137-R141 PolarHBondContact O-N 3.35Å; E137-R141 VanDerWaalsContact O-N 3.13Å; E137-R141 PolarHBondContact O-NE 2.86Å; F138-R141 PolarHBondContact O-N 2.92Å
142N97.9Very high97.8Very high56 Ų5652.4 Ų52.430%0.29926%0.255SS..THydrogen-bonded Turntrans-10514.3-176.4-66.9-84.5000113.1I102 F138 A139 E140 F144I102-N142 HydrophobicContact CD1-CB 3.9Å; F138-N142 HydrophobicContact CE1-CB 4.39Å; F138-N142 WeakPolarHBondContact CE2-ND2 3.47Å; F138-N142 WeakPolarHBondContact O-CB 3.46Å; F138-N142 PolarHBondContact O-N 3.44Å; F138-N142 VanDerWaalsContact O-N 3.08Å; F138-N142 PolarHBondContact O-ND2 2.71Å; A139-N142 PolarHBondContact O-N 3.24Å; E140-N142 PolarHBondContact O-N 2.95Å; N142-F144 HydrophobicContact CB-CD2 4.03Å; N142-F144 HydrophobicContact CB-CE2 3.95Å
143G95.6Very high97.7Very high49 Ų4950.7 Ų50.751%0.50525%0.249SC..THydrogen-bonded Turntrans67.937.1172.500000114A139 E140A139-G143 PolarHBondContact O-N 3.05Å; E140-G143 PolarHBondContact O-N 3.47Å
144F97.4Very high97.6Very high20 Ų2051.1 Ų51.19%0.08825%0.251CS..  trans-78.8136.2167.3-75.4-94.4000110.2L85 I102 R115 I116 L117 F138 A139 N142 Y146L85-F144 HydrophobicContact CB-CE1 4Å; L85-F144 HydrophobicContact CB-CZ 4.27Å; L85-F144 HydrophobicContact CD2-CE1 4.3Å; L85-F144 HydrophobicContact CD2-CZ 3.7Å; I102-F144 HydrophobicContact CD1-CE2 3.92Å; I102-F144 HydrophobicContact CD1-CZ 4.3Å; I102-F144 HydrophobicContact CG1-CE2 4.11Å; I102-F144 HydrophobicContact CG1-CZ 4.05Å; R115-F144 HydrophobicContact CB-CD1 3.74Å; R115-F144 HydrophobicContact CB-CE1 4.14Å; R115-F144 HydrophobicContact CB-CG 4.37Å; I116-F144 VanDerWaalsContact C-CD1 3.49Å; L117-F144 HydrophobicContact CB-CB 4.48Å; L117-F144 HydrophobicContact CB-CD1 3.63Å; L117-F144 HydrophobicContact CB-CD2 4.42Å; L117-F144 HydrophobicContact CB-CE1 3.91Å; L117-F144 HydrophobicContact CB-CG 3.92Å; L117-F144 HydrophobicContact CB-CZ 4.43Å; L117-F144 HydrophobicContact CD1-CE1 4.4Å; L117-F144 HydrophobicContact CD1-CZ 4.34Å; F138-F144 HydrophobicContact CE1-CE2 4.25Å; A139-F144 HydrophobicContact CB-CB 3.88Å; A139-F144 HydrophobicContact CB-CD2 4.4Å; A139-F144 HydrophobicContact CB-CG 4.33Å; A139-F144 PolarHBondContact O-N 2.81Å; N142-F144 HydrophobicContact CB-CD2 4.03Å; N142-F144 HydrophobicContact CB-CE2 3.95Å; F144-Y146 VanDerWaalsContact C-N 3.29Å
145D95.3Very high97.5Very high80 Ų8052.1 Ų52.143%0.42826%0.259SS..SBendtrans-73.9-25.2178.6-57.2-76.7000112.1L114 R115L114-D145 HydrophobicContact CD1-CB 3.47Å; L114-D145 VanDerWaalsContact CD1-CB 3.47Å; L114-D145 HydrophobicContact CG-CB 4.41Å; R115-D145 PolarHBondContact N-OD2 2.97Å; R115-D145 PolarHBondContact O-N 2.95Å
146Y95.8Very high97.5Very high57 Ų5754.1 Ų54.122%0.22427%0.272CS..EExtended strand (participates in β ladder)trans-151.6147.3179.3-161.6-111.3000112.6R115 I116 L117 F144 L148 Q160 E164R115-Y146 PolarHBondContact O-N 3.38Å; I116-Y146 WeakPolarHBondContact CA-O 3.47Å; I116-Y146 HydrophobicContact CG2-CD1 4.23Å; L117-Y146 PolarHBondContact N-O 3.23Å; F144-Y146 VanDerWaalsContact C-N 3.29Å; Y146-L148 HydrophobicContact CD1-CD2 3.88Å; Y146-L148 HydrophobicContact CE1-CB 3.98Å; Y146-L148 HydrophobicContact CE1-CD1 4Å; Y146-L148 HydrophobicContact CE1-CD2 3.91Å; Y146-L148 HydrophobicContact CE1-CG 4.17Å; Y146-Q160 PolarHBondContact OH-NE2 2.62Å; Y146-E164 HydrophobicContact CD1-CB 4.27Å; Y146-E164 HydrophobicContact CD1-CG 3.64Å; Y146-E164 HydrophobicContact CD2-CG 4.01Å; Y146-E164 HydrophobicContact CE1-CB 4.2Å; Y146-E164 HydrophobicContact CE1-CG 3.72Å; Y146-E164 HydrophobicContact CE2-CG 4.08Å; Y146-E164 HydrophobicContact CG-CG 3.77Å
147F97.7Very high97.4Very high37 Ų3755 Ų5516%0.16227%0.271CS..EExtended strand (participates in β ladder)trans-133.6138.6172.8169.2-101.9000110.3Y87 L117 E132 A136 A139 E149Y87-F147 HydrophobicContact CE1-CE2 4.32Å; L117-F147 HydrophobicContact CB-CD2 4.06Å; L117-F147 HydrophobicContact CD2-CD2 3.89Å; L117-F147 HydrophobicContact CD2-CE2 4.28Å; L117-F147 HydrophobicContact CG-CD2 3.97Å; L117-F147 HydrophobicContact CG-CE2 4.43Å; L117-F147 WeakPolarHBondContact O-CA 3.27Å; E132-F147 HydrophobicContact CG-CE1 3.95Å; E132-F147 HydrophobicContact CG-CZ 4.3Å; A136-F147 HydrophobicContact CB-CD1 3.65Å; A136-F147 HydrophobicContact CB-CE1 3.74Å; A136-F147 HydrophobicContact CB-CG 4.46Å; A139-F147 HydrophobicContact CB-CB 3.64Å; A139-F147 HydrophobicContact CB-CD2 4.28Å; A139-F147 HydrophobicContact CB-CG 4.15Å; F147-E149 HydrophobicContact CZ-CG 4.02Å
148L98.1Very high97.3Very high9 Ų951.3 Ų51.35%0.04725%0.254CS..EExtended strand (participates in β ladder)trans-155.6155.1168.273.7176.2000110.9I116 L117 A118 G119 Y146 T150 N157 Q160 L161I116-L148 HydrophobicContact CG2-CD2 3.97Å; L117-L148 PolarHBondContact O-N 3.33Å; A118-L148 WeakPolarHBondContact CA-O 3.49Å; G119-L148 PolarHBondContact N-O 3.4Å; G119-L148 VanDerWaalsContact N-O 3.12Å; Y146-L148 HydrophobicContact CD1-CD2 3.88Å; Y146-L148 HydrophobicContact CE1-CB 3.98Å; Y146-L148 HydrophobicContact CE1-CD1 4Å; Y146-L148 HydrophobicContact CE1-CD2 3.91Å; Y146-L148 HydrophobicContact CE1-CG 4.17Å; L148-T150 HydrophobicContact CD1-CG2 4.22Å; L148-T150 HydrophobicContact CG-CG2 4.06Å; L148-N157 HydrophobicContact CD1-CB 3.9Å; L148-Q160 HydrophobicContact CD1-CB 4.42Å; L148-Q160 HydrophobicContact CD1-CG 4.19Å; L148-L161 HydrophobicContact CD1-CB 4.08Å; L148-L161 HydrophobicContact CD2-CD1 3.67Å
149E98.6Very high97.1Very high11 Ų1153.3 Ų53.35%0.05126%0.264CS..EExtended strand (participates in β ladder)trans-88.6149.1165.1-66-162.5165.700111.8G119 C122 R128 E132 F147 N157G119-E149 CarbonylContact O-C 3.45Å; G119-E149 WeakPolarHBondContact O-CA 3.31Å; C122-E149 HydrophobicContact CB-CB 4.06Å; C122-E149 VanDerWaalsContact CB-OE2 3.32Å; C122-E149 WeakPolarHBondContact CB-OE2 3.48Å; R128-E149 IonicContact CZ-OE1 2.88Å; R128-E149 IonicContact CZ-OE2 3.69Å; R128-E149 VanDerWaalsContact NH1-CD 3.34Å; R128-E149 IonicContact NH1-OE1 3.83Å; R128-E149 PolarHBondContact NH1-OE1 2.54Å; R128-E149 IonicContact NH1-OE2 2.73Å; R128-E149 PolarHBondContact NH1-OE2 3.25Å; R128-E149 IonicContact NH2-OE1 2.92Å; R128-E149 IonicContact NH2-OE2 3.95Å; R128-E149 PolarHBondContact NH2-OE2 3.29Å; E132-E149 VanDerWaalsContact CA-OE1 3.27Å; E132-E149 WeakPolarHBondContact CA-OE1 3.24Å; E132-E149 WeakPolarHBondContact CB-OE1 3.29Å; E132-E149 HydrophobicContact CG-CG 4.07Å; F147-E149 HydrophobicContact CZ-CG 4.02Å; E149-N157 VanDerWaalsContact O-CB 3.28Å; E149-N157 WeakPolarHBondContact O-CB 3.45Å; E149-N157 PolarHBondContact O-ND2 3.27Å
150T98.5Very high96.9Very high0 Ų056.3 Ų56.30%028%0.277CS..EExtended strand (participates in β ladder)trans-136.5156.3-178.157.60000111.7G119 N120 K121 C122 L148 T156 N157 L161G119-T150 PolarHBondContact O-N 3.13Å; N120-T150 CarbonylContact C-O 3.51Å; N120-T150 VanDerWaalsContact CA-O 3.31Å; N120-T150 WeakPolarHBondContact CA-O 3.33Å; N120-T150 WeakPolarHBondContact CA-OG1 3.38Å; N120-T150 PolarHBondContact OD1-O 2.89Å; N120-T150 PolarHBondContact OD1-OG1 2.79Å; K121-T150 PolarHBondContact N-O 3.23Å; C122-T150 PolarHBondContact N-O 2.8Å; C122-T150 VanDerWaalsContact N-O 3.13Å; C122-T150 PolarHBondContact SG-O 3.25Å; L148-T150 HydrophobicContact CD1-CG2 4.22Å; L148-T150 HydrophobicContact CG-CG2 4.06Å; T150-T156 WeakPolarHBondContact CA-O 3.29Å; T150-N157 HydrophobicContact CG2-CB 4.05Å; T150-L161 HydrophobicContact CG2-CB 4.18Å; T150-L161 HydrophobicContact CG2-CD2 4.2Å
151S98.1Very high96.8Very high0 Ų048.8 Ų48.80%024%0.242CC..BIsolated β-bridgetrans-134.9107.8165.8173.10000109.2D123 L153 R154 S155 T156 V158D123-S151 WeakPolarHBondContact CB-OG 3.41Å; D123-S151 VanDerWaalsContact CG-OG 3.24Å; D123-S151 VanDerWaalsContact OD1-CB 3.27Å; D123-S151 WeakPolarHBondContact OD1-CB 3.38Å; D123-S151 PolarHBondContact OD1-OG 2.83Å; S151-L153 PolarHBondContact O-N 3.12Å; S151-L153 PolarHBondContact OG-N 3.07Å; S151-R154 PolarHBondContact O-N 2.87Å; S151-R154 WeakPolarHBondContact OG-CB 3.43Å; S151-R154 PolarHBondContact OG-N 2.78Å; S151-S155 CarbonylContact O-C 3.39Å; S151-S155 VanDerWaalsContact O-CA 3.22Å; S151-S155 WeakPolarHBondContact O-CA 3.48Å; S151-S155 PolarHBondContact O-N 3.26Å; S151-T156 PolarHBondContact N-O 2.95Å; S151-T156 PolarHBondContact O-N 2.99Å; S151-V158 WeakPolarHBondContact O-CG2 3.45Å
152A96.7Very high96.5Very high2 Ų240.9 Ų40.92%0.01721%0.212CC..THydrogen-bonded Turntrans-60.2-32.1170.300000112.2C22 L23 K26 F32 N120C22-A152 HydrophobicContact CB-CB 3.64Å; L23-A152 HydrophobicContact CD2-CB 3.97Å; L23-A152 HydrophobicContact CG-CB 4.23Å; K26-A152 WeakPolarHBondContact CD-O 3.4Å; K26-A152 WeakPolarHBondContact CG-O 3.36Å; F32-A152 HydrophobicContact CD2-CB 3.94Å; F32-A152 WeakPolarHBondContact CD2-O 3.31Å; F32-A152 HydrophobicContact CE2-CB 3.89Å; N120-A152 PolarHBondContact OD1-N 3.38Å
153L96Very high96.1Very high76 Ų7638.3 Ų38.340%0.39820%0.199SC..THydrogen-bonded Turntrans-68.9-48.2179.317862.1000111.6F32 D123 S151F32-L153 HydrophobicContact CD1-CD1 3.75Å; F32-L153 HydrophobicContact CD2-CB 4.39Å; F32-L153 HydrophobicContact CE1-CD1 3.79Å; F32-L153 HydrophobicContact CE2-CB 4.11Å; F32-L153 HydrophobicContact CG-CD1 4.2Å; F32-L153 HydrophobicContact CZ-CB 4.2Å; F32-L153 HydrophobicContact CZ-CD1 4.26Å; D123-L153 WeakPolarHBondContact OD2-CD2 3.5Å; S151-L153 PolarHBondContact O-N 3.12Å; S151-L153 PolarHBondContact OG-N 3.07Å
154R96.2Very high95.6Very high175 Ų17537 Ų3766%0.6618%0.179SC*.THydrogen-bonded Turntrans-89.2-4.4-178.1-59.4-62.3-177.1177.90.8113.5D123 S151 T156D123-R154 HydrophobicContact CB-CG 3.61Å; S151-R154 PolarHBondContact O-N 2.87Å; S151-R154 WeakPolarHBondContact OG-CB 3.43Å; S151-R154 PolarHBondContact OG-N 2.78Å; R154-T156 WeakPolarHBondContact CB-OG1 3.44Å; R154-T156 PolarHBondContact O-N 2.67Å
155S95.9Very high94.9Very high57 Ų5736 Ų3640%0.39918%0.175SC..THydrogen-bonded Turntrans65.810.3-170.3-25.90000114.1K26 S151 N157 V158K26-S155 WeakPolarHBondContact CE-OG 3.18Å; K26-S155 PolarHBondContact NZ-OG 3.37Å; S151-S155 CarbonylContact O-C 3.39Å; S151-S155 VanDerWaalsContact O-CA 3.22Å; S151-S155 WeakPolarHBondContact O-CA 3.48Å; S151-S155 PolarHBondContact O-N 3.26Å; S155-N157 PolarHBondContact O-N 3.17Å; S155-V158 PolarHBondContact O-N 3.3Å
156T97.8Very high94.2Very high43 Ų4332.2 Ų32.226%0.26416%0.155SC..BIsolated β-bridgetrans-61.5122.4-178.6-500000110.1T150 S151 R154 V158T150-T156 WeakPolarHBondContact CA-O 3.29Å; S151-T156 PolarHBondContact N-O 2.95Å; S151-T156 PolarHBondContact O-N 2.99Å; R154-T156 WeakPolarHBondContact CB-OG1 3.44Å; R154-T156 PolarHBondContact O-N 2.67Å; T156-V158 PolarHBondContact O-N 3.08Å
157N97.6Very high93.3Very high55 Ų5530 Ų3029%0.29415%0.147SC..THydrogen-bonded Turntrans55.514.5176.7-60.3-18.9000115.6L148 E149 T150 S155 Q160 L161L148-N157 HydrophobicContact CD1-CB 3.9Å; E149-N157 VanDerWaalsContact O-CB 3.28Å; E149-N157 WeakPolarHBondContact O-CB 3.45Å; E149-N157 PolarHBondContact O-ND2 3.27Å; T150-N157 HydrophobicContact CG2-CB 4.05Å; S155-N157 PolarHBondContact O-N 3.17Å; N157-Q160 HydrophobicContact CB-CB 4.42Å; N157-Q160 PolarHBondContact O-N 3.17Å; N157-Q160 PolarHBondContact OD1-OE1 2.95Å; N157-L161 WeakPolarHBondContact O-CB 3.14Å; N157-L161 PolarHBondContact O-N 3.46Å
158V96.8Very high92.2Very high2 Ų230.5 Ų30.51%0.01215%0.15CC..Hα-helixtrans-67.4-50.3-178.4176.50000110.7L23 K26 F27 S151 S155 T156 Q160 L161 F162L23-V158 HydrophobicContact CD2-CG2 3.93Å; K26-V158 HydrophobicContact CB-CG1 4.12Å; K26-V158 HydrophobicContact CG-CB 4.49Å; K26-V158 HydrophobicContact CG-CG1 4.09Å; K26-V158 HydrophobicContact CG-CG2 4.22Å; F27-V158 HydrophobicContact CB-CG1 3.86Å; S151-V158 WeakPolarHBondContact O-CG2 3.45Å; S155-V158 PolarHBondContact O-N 3.3Å; T156-V158 PolarHBondContact O-N 3.08Å; V158-Q160 VanDerWaalsContact C-N 3.3Å; V158-Q160 PolarHBondContact O-N 3.22Å; V158-L161 PolarHBondContact O-N 3.02Å; V158-F162 HydrophobicContact CG1-CE2 4.48Å; V158-F162 VanDerWaalsContact O-CD2 3.29Å; V158-F162 WeakPolarHBondContact O-CD2 3.4Å
159E94.2Very high91Very high62 Ų6232.1 Ų32.129%0.2916%0.157SC..Hα-helixtrans-63.3-39.7176-68.3-68.3148.900111F27 K47 L161 F162 A163 L189F27-E159 WeakPolarHBondContact CD2-OE1 3.46Å; F27-E159 WeakPolarHBondContact CD2-OE2 3.32Å; F27-E159 WeakPolarHBondContact CE2-OE2 3.34Å; K47-E159 IonicContact NZ-OE1 2.89Å; K47-E159 PolarHBondContact NZ-OE1 3.09Å; K47-E159 IonicContact NZ-OE2 3.46Å; K47-E159 PolarHBondContact NZ-OE2 3.46Å; E159-L161 PolarHBondContact O-N 2.91Å; E159-F162 PolarHBondContact O-N 3.22Å; E159-A163 VanDerWaalsContact O-CB 3.23Å; E159-A163 WeakPolarHBondContact O-CB 3.17Å; E159-A163 PolarHBondContact O-N 3.47Å; E159-L189 HydrophobicContact CB-CD2 4.24Å
160Q94.1Very high89.8Confident67 Ų6732.2 Ų32.231%0.31316%0.157SC..Hα-helixtrans-61-43.7178-176.1176.4-21.300112.3Y146 L148 N157 V158 F162 A163 E164Y146-Q160 PolarHBondContact OH-NE2 2.62Å; L148-Q160 HydrophobicContact CD1-CB 4.42Å; L148-Q160 HydrophobicContact CD1-CG 4.19Å; N157-Q160 HydrophobicContact CB-CB 4.42Å; N157-Q160 PolarHBondContact O-N 3.17Å; N157-Q160 PolarHBondContact OD1-OE1 2.95Å; V158-Q160 VanDerWaalsContact C-N 3.3Å; V158-Q160 PolarHBondContact O-N 3.22Å; Q160-F162 VanDerWaalsContact C-N 3.29Å; Q160-F162 PolarHBondContact O-N 3.3Å; Q160-A163 PolarHBondContact O-N 2.99Å; Q160-E164 WeakPolarHBondContact O-CB 3.32Å; Q160-E164 PolarHBondContact O-N 2.95Å
161L95.6Very high88.2Confident0 Ų034 Ų340%017%0.168CC..Hα-helixtrans-52.1-46.3177.8170.464.2000112.1L23 I84 I116 A118 L148 T150 N157 V158 E159L23-L161 HydrophobicContact CD1-CD2 4.13Å; L23-L161 HydrophobicContact CD2-CD2 4.48Å; I84-L161 HydrophobicContact CD1-CD1 4Å; I84-L161 HydrophobicContact CD1-CD2 4.3Å; I84-L161 HydrophobicContact CD1-CG 4Å; I84-L161 HydrophobicContact CG1-CD1 4.26Å; I84-L161 HydrophobicContact CG2-CD1 3.82Å; I84-L161 HydrophobicContact CG2-CD2 4.24Å; I84-L161 HydrophobicContact CG2-CG 4.5Å; I116-L161 HydrophobicContact CG2-CD1 3.77Å; A118-L161 HydrophobicContact CB-CD1 4.13Å; A118-L161 HydrophobicContact CB-CD2 4.43Å; L148-L161 HydrophobicContact CD1-CB 4.08Å; L148-L161 HydrophobicContact CD2-CD1 3.67Å; T150-L161 HydrophobicContact CG2-CB 4.18Å; T150-L161 HydrophobicContact CG2-CD2 4.2Å; N157-L161 WeakPolarHBondContact O-CB 3.14Å; N157-L161 PolarHBondContact O-N 3.46Å; V158-L161 PolarHBondContact O-N 3.02Å; E159-L161 PolarHBondContact O-N 2.91Å
162F93.2Very high86.7Confident0 Ų038.3 Ų38.30%019%0.191CC..Hα-helixtrans-86.1-27.1-177.9-67.6-80.8000113.5L12 V24 F27 L58 I60 I84 V158 E159 Q160 T166L12-F162 HydrophobicContact CD1-CE1 4.03Å; L12-F162 HydrophobicContact CD1-CZ 4.32Å; L12-F162 HydrophobicContact CD2-CZ 4.36Å; V24-F162 HydrophobicContact CG2-CZ 4.33Å; F27-F162 HydrophobicContact CB-CD2 3.64Å; F27-F162 HydrophobicContact CB-CE2 3.55Å; F27-F162 HydrophobicContact CB-CZ 4.37Å; F27-F162 HydrophobicContact CD1-CB 4.06Å; F27-F162 HydrophobicContact CD1-CD1 4.02Å; F27-F162 AromaticContact CD1-CD2 3.57Å; F27-F162 HydrophobicContact CD1-CD2 3.57Å; F27-F162 HydrophobicContact CD1-CE1 4.35Å; F27-F162 AromaticContact CD1-CE2 3.96Å; F27-F162 HydrophobicContact CD1-CE2 3.96Å; F27-F162 AromaticContact CD1-CG 3.61Å; F27-F162 HydrophobicContact CD1-CG 3.61Å; F27-F162 HydrophobicContact CD1-CZ 4.33Å; F27-F162 HydrophobicContact CD2-CB 4Å; F27-F162 AromaticContact CD2-CD2 3.6Å; F27-F162 HydrophobicContact CD2-CD2 3.6Å; F27-F162 HydrophobicContact CD2-CE2 4.4Å; F27-F162 HydrophobicContact CD2-CG 4.04Å; F27-F162 HydrophobicContact CE1-CB 3.57Å; F27-F162 AromaticContact CE1-CD1 3.99Å; F27-F162 HydrophobicContact CE1-CD1 3.99Å; F27-F162 HydrophobicContact CE1-CD2 4.02Å; F27-F162 AromaticContact CE1-CG 3.6Å; F27-F162 HydrophobicContact CE1-CG 3.6Å; F27-F162 HydrophobicContact CE2-CB 3.52Å; F27-F162 HydrophobicContact CE2-CD2 4.06Å; F27-F162 HydrophobicContact CE2-CG 4.04Å; F27-F162 HydrophobicContact CG-CB 4.24Å; F27-F162 AromaticContact CG-CD2 3.32Å; F27-F162 HydrophobicContact CG-CD2 3.32Å; F27-F162 AromaticContact CG-CE2 3.74Å; F27-F162 HydrophobicContact CG-CE2 3.74Å; F27-F162 AromaticContact CG-CG 3.82Å; F27-F162 HydrophobicContact CG-CG 3.82Å; F27-F162 HydrophobicContact CZ-CB 3.26Å; F27-F162 HydrophobicContact CZ-CD2 4.23Å; F27-F162 AromaticContact CZ-CG 3.81Å; F27-F162 HydrophobicContact CZ-CG 3.81Å; L58-F162 HydrophobicContact CD1-CB 4.26Å; I60-F162 HydrophobicContact CD1-CD1 4.09Å; I60-F162 HydrophobicContact CD1-CE1 3.96Å; I60-F162 HydrophobicContact CG1-CE1 4.45Å; I60-F162 HydrophobicContact CG2-CE1 4Å; I84-F162 HydrophobicContact CD1-CD1 4.13Å; I84-F162 HydrophobicContact CD1-CE1 3.91Å; V158-F162 HydrophobicContact CG1-CE2 4.48Å; V158-F162 VanDerWaalsContact O-CD2 3.29Å; V158-F162 WeakPolarHBondContact O-CD2 3.4Å; E159-F162 PolarHBondContact O-N 3.22Å; Q160-F162 VanDerWaalsContact C-N 3.29Å; Q160-F162 PolarHBondContact O-N 3.3Å; F162-T166 PolarHBondContact O-OG1 2.89Å
163A88.4Confident85.2Confident3 Ų341 Ų413%0.02521%0.213CC..Hα-helixtrans-67.1-40.2172.400000111.2E159 Q160 V165 T166 V167 V185 L189E159-A163 VanDerWaalsContact O-CB 3.23Å; E159-A163 WeakPolarHBondContact O-CB 3.17Å; E159-A163 PolarHBondContact O-N 3.47Å; Q160-A163 PolarHBondContact O-N 2.99Å; A163-V165 VanDerWaalsContact C-N 3.3Å; A163-V165 PolarHBondContact O-N 2.75Å; A163-T166 WeakPolarHBondContact O-CA 3.41Å; A163-T166 VanDerWaalsContact O-CB 3.25Å; A163-T166 WeakPolarHBondContact O-CB 3.29Å; A163-T166 PolarHBondContact O-N 3.18Å; A163-V167 WeakPolarHBondContact O-CG2 3.38Å; A163-V167 PolarHBondContact O-N 2.69Å; A163-V185 HydrophobicContact CB-CG1 4.11Å; A163-L189 HydrophobicContact CB-CD1 3.57Å; A163-L189 HydrophobicContact CB-CD2 3.61Å; A163-L189 HydrophobicContact CB-CG 4.11Å
164E85Confident83.6Confident20 Ų2042.2 Ų42.29%0.09321%0.212CC..Hα-helixtrans-63.1-37.9179.8-164.762.2-152.900111.7Y146 Q160 T166 V167 Q168Y146-E164 HydrophobicContact CD1-CB 4.27Å; Y146-E164 HydrophobicContact CD1-CG 3.64Å; Y146-E164 HydrophobicContact CD2-CG 4.01Å; Y146-E164 HydrophobicContact CE1-CB 4.2Å; Y146-E164 HydrophobicContact CE1-CG 3.72Å; Y146-E164 HydrophobicContact CE2-CG 4.08Å; Y146-E164 HydrophobicContact CG-CG 3.77Å; Q160-E164 WeakPolarHBondContact O-CB 3.32Å; Q160-E164 PolarHBondContact O-N 2.95Å; E164-T166 PolarHBondContact O-N 2.93Å; E164-V167 PolarHBondContact O-N 3Å; E164-Q168 HydrophobicContact CG-CG 3.92Å; E164-Q168 WeakPolarHBondContact O-CB 3.38Å; E164-Q168 WeakPolarHBondContact O-CG 3.4Å; E164-Q168 PolarHBondContact O-N 3.08Å; E164-Q168 VanDerWaalsContact OE1-CG 3.29Å; E164-Q168 WeakPolarHBondContact OE1-CG 3.27Å; E164-Q168 PolarHBondContact OE1-NE2 2.73Å
165V84Confident81.6Confident1 Ų137.6 Ų37.61%0.00621%0.205CC..Hα-helixtrans-51.9-43.31701730000111.4V10 A82 I84 L114 I116 A163 H169V10-V165 HydrophobicContact CG1-CG2 4.32Å; V10-V165 HydrophobicContact CG2-CG1 3.71Å; A82-V165 HydrophobicContact CB-CB 4.4Å; A82-V165 HydrophobicContact CB-CG1 3.45Å; A82-V165 VanDerWaalsContact CB-CG1 3.45Å; A82-V165 HydrophobicContact CB-CG2 4.15Å; I84-V165 HydrophobicContact CD1-CG2 4.14Å; I84-V165 HydrophobicContact CG1-CG2 4.35Å; L114-V165 HydrophobicContact CD2-CB 4.47Å; L114-V165 HydrophobicContact CD2-CG1 4.46Å; I116-V165 HydrophobicContact CD1-CB 4.32Å; I116-V165 HydrophobicContact CD1-CG2 3.32Å; A163-V165 VanDerWaalsContact C-N 3.3Å; A163-V165 PolarHBondContact O-N 2.75Å; V165-H169 VanDerWaalsContact O-CB 3.27Å; V165-H169 WeakPolarHBondContact O-CB 3.33Å; V165-H169 PolarHBondContact O-N 3.42Å
166T80.2Confident79.6Confident0 Ų045.3 Ų45.30%023%0.227CC..Hα-helixtrans-72.1-45.7-177.1-54.10000110.8F8 V51 V56 F162 A163 E164 F170F8-T166 HydrophobicContact CD2-CG2 4.41Å; F8-T166 HydrophobicContact CE2-CG2 4.12Å; V51-T166 HydrophobicContact CG2-CG2 3.56Å; V56-T166 HydrophobicContact CB-CG2 4.38Å; V56-T166 HydrophobicContact CG1-CG2 3.91Å; V56-T166 HydrophobicContact CG2-CG2 4.23Å; F162-T166 PolarHBondContact O-OG1 2.89Å; A163-T166 WeakPolarHBondContact O-CA 3.41Å; A163-T166 VanDerWaalsContact O-CB 3.25Å; A163-T166 WeakPolarHBondContact O-CB 3.29Å; A163-T166 PolarHBondContact O-N 3.18Å; E164-T166 PolarHBondContact O-N 2.93Å; T166-F170 HydrophobicContact CG2-CD2 4Å; T166-F170 HydrophobicContact CG2-CE2 3.58Å; T166-F170 WeakPolarHBondContact O-CD2 3.47Å; T166-F170 PolarHBondContact O-N 3.31Å
167V77.2Confident77.4Confident9 Ų946.8 Ų46.86%0.05523%0.233CC..Hα-helixtrans-62.4-54179.2176.60000111.1A163 E164 H169 F170 V171 V182 V185A163-V167 WeakPolarHBondContact O-CG2 3.38Å; A163-V167 PolarHBondContact O-N 2.69Å; E164-V167 PolarHBondContact O-N 3Å; V167-H169 VanDerWaalsContact C-N 3.28Å; V167-H169 PolarHBondContact O-N 3.14Å; V167-F170 PolarHBondContact O-N 2.91Å; V167-V171 HydrophobicContact CG1-CG2 4.42Å; V167-V171 WeakPolarHBondContact O-CG2 3.22Å; V167-V171 PolarHBondContact O-N 3.35Å; V167-V182 HydrophobicContact CG1-CB 4.39Å; V167-V182 HydrophobicContact CG1-CG1 4.32Å; V167-V182 HydrophobicContact CG1-CG2 3.82Å; V167-V185 HydrophobicContact CG2-CB 3.53Å; V167-V185 HydrophobicContact CG2-CG1 3.52Å; V167-V185 HydrophobicContact CG2-CG2 3.75Å
168Q73.7Confident75.1Confident48 Ų4847.2 Ų47.222%0.22424%0.235CC..Hα-helixtrans-62.2-37.7-176.9-68.9-66-15.400111.7L114 E164 F170 V171 I172L114-Q168 HydrophobicContact CD1-CB 3.65Å; L114-Q168 HydrophobicContact CD1-CG 4.32Å; L114-Q168 HydrophobicContact CD2-CB 3.69Å; L114-Q168 HydrophobicContact CD2-CG 4.49Å; L114-Q168 HydrophobicContact CG-CB 4.35Å; E164-Q168 HydrophobicContact CG-CG 3.92Å; E164-Q168 WeakPolarHBondContact O-CB 3.38Å; E164-Q168 WeakPolarHBondContact O-CG 3.4Å; E164-Q168 PolarHBondContact O-N 3.08Å; E164-Q168 VanDerWaalsContact OE1-CG 3.29Å; E164-Q168 WeakPolarHBondContact OE1-CG 3.27Å; E164-Q168 PolarHBondContact OE1-NE2 2.73Å; Q168-F170 VanDerWaalsContact C-N 3.34Å; Q168-F170 PolarHBondContact O-N 3.29Å; Q168-V171 PolarHBondContact O-N 2.95Å; Q168-I172 WeakPolarHBondContact O-CB 3.21Å; Q168-I172 VanDerWaalsContact O-CG1 3.3Å; Q168-I172 WeakPolarHBondContact O-CG1 3.41Å; Q168-I172 PolarHBondContact O-N 2.97Å
169H74.3Confident72.9Confident43 Ų4354.4 Ų54.420%0.19927%0.272CS..Hα-helixtrans-63.1-40.2174.5-168.9-61.3000112.1F8 H81 V165 V167 A173F8-H169 HydrophobicContact CD1-CB 4.47Å; F8-H169 AromaticContact CD1-CD2 3.65Å; F8-H169 AromaticContact CD1-CE1 3.95Å; F8-H169 AromaticContact CD1-CG 3.74Å; F8-H169 AromaticContact CD1-ND1 3.93Å; F8-H169 AromaticContact CD1-NE2 3.77Å; F8-H169 HydrophobicContact CE1-CB 4.15Å; F8-H169 AromaticContact CE1-CD2 3.64Å; F8-H169 AromaticContact CE1-CE1 3.27Å; F8-H169 WeakPolarHBondContact CE1-CE1 3.45Å; F8-H169 AromaticContact CE1-CG 3.34Å; F8-H169 AromaticContact CE1-ND1 3.1Å; F8-H169 WeakPolarHBondContact CE1-ND1 3.3Å; F8-H169 AromaticContact CE1-NE2 3.57Å; F8-H169 HydrophobicContact CZ-CB 4.21Å; F8-H169 AromaticContact CZ-CG 3.81Å; F8-H169 AromaticContact CZ-ND1 3.53Å; H81-H169 AromaticContact CD2-NE2 3.5Å; V165-H169 VanDerWaalsContact O-CB 3.27Å; V165-H169 WeakPolarHBondContact O-CB 3.33Å; V165-H169 PolarHBondContact O-N 3.42Å; V167-H169 VanDerWaalsContact C-N 3.28Å; V167-H169 PolarHBondContact O-N 3.14Å; H169-A173 WeakPolarHBondContact O-CB 3.39Å; H169-A173 PolarHBondContact O-N 3.18Å
170F72.6Confident70.9Confident13 Ų1359.3 Ų59.36%0.05729%0.293CS..Hα-helixtrans-66.7-37.3174.9-76-60.8000112.4Y6 F8 V51 V56 T166 V167 Q168 R174Y6-F170 AromaticContact CD1-CE1 3.91Å; Y6-F170 HydrophobicContact CD1-CE1 3.91Å; Y6-F170 HydrophobicContact CD1-CZ 4.31Å; Y6-F170 AromaticContact CD2-CE1 3.56Å; Y6-F170 HydrophobicContact CD2-CE1 3.56Å; Y6-F170 AromaticContact CD2-CZ 3.33Å; Y6-F170 HydrophobicContact CD2-CZ 3.33Å; Y6-F170 AromaticContact CE1-CE1 3.85Å; Y6-F170 HydrophobicContact CE1-CE1 3.85Å; Y6-F170 AromaticContact CE2-CE1 3.42Å; Y6-F170 HydrophobicContact CE2-CE1 3.42Å; Y6-F170 VanDerWaalsContact CE2-CE1 3.42Å; Y6-F170 AromaticContact CE2-CZ 3.59Å; Y6-F170 HydrophobicContact CE2-CZ 3.59Å; Y6-F170 AromaticContact CG-CE1 3.75Å; Y6-F170 HydrophobicContact CG-CE1 3.75Å; Y6-F170 AromaticContact CG-CZ 3.68Å; Y6-F170 HydrophobicContact CG-CZ 3.68Å; Y6-F170 AromaticContact CZ-CE1 3.58Å; F8-F170 HydrophobicContact CE2-CE1 4.47Å; F8-F170 AromaticContact CE2-CE2 3.87Å; F8-F170 HydrophobicContact CE2-CE2 3.87Å; F8-F170 AromaticContact CE2-CZ 3.78Å; F8-F170 HydrophobicContact CE2-CZ 3.78Å; F8-F170 HydrophobicContact CZ-CE1 4.05Å; F8-F170 HydrophobicContact CZ-CE2 4.19Å; F8-F170 AromaticContact CZ-CZ 3.81Å; F8-F170 HydrophobicContact CZ-CZ 3.81Å; V51-F170 HydrophobicContact CB-CE2 4.39Å; V51-F170 HydrophobicContact CG1-CD2 4.31Å; V51-F170 HydrophobicContact CG1-CE2 4.07Å; V51-F170 HydrophobicContact CG2-CE2 4.31Å; V56-F170 HydrophobicContact CG2-CE2 3.88Å; V56-F170 HydrophobicContact CG2-CZ 3.83Å; T166-F170 HydrophobicContact CG2-CD2 4Å; T166-F170 HydrophobicContact CG2-CE2 3.58Å; T166-F170 WeakPolarHBondContact O-CD2 3.47Å; T166-F170 PolarHBondContact O-N 3.31Å; V167-F170 PolarHBondContact O-N 2.91Å; Q168-F170 VanDerWaalsContact C-N 3.34Å; Q168-F170 PolarHBondContact O-N 3.29Å; F170-R174 WeakPolarHBondContact O-CA 3.34Å; F170-R174 WeakPolarHBondContact O-CB 3.31Å; F170-R174 PolarHBondContact O-N 3.43Å
171V65.3Low68.7Low38 Ų3858.3 Ų58.323%0.2329%0.288CS..Hα-helixtrans-61.8-47.7175.3172.90000111V167 Q168 R174 I178 V182V167-V171 HydrophobicContact CG1-CG2 4.42Å; V167-V171 WeakPolarHBondContact O-CG2 3.22Å; V167-V171 PolarHBondContact O-N 3.35Å; Q168-V171 PolarHBondContact O-N 2.95Å; V171-R174 CarbonylContact O-C 3.39Å; V171-I178 HydrophobicContact CG1-CD1 3.96Å; V171-I178 HydrophobicContact CG1-CG1 4.24Å; V171-I178 HydrophobicContact CG2-CG1 4.43Å; V171-I178 HydrophobicContact CG2-CG2 4.32Å; V171-V182 HydrophobicContact CG2-CG2 4.21Å
172I65.5Low66.7Low91 Ų9160.6 Ų60.647%0.46730%0.302SS..Hα-helixtrans-69.3-41.2-179.7-65.5167000111.5L114 Q168L114-I172 HydrophobicContact CD1-CD1 3.85Å; Q168-I172 WeakPolarHBondContact O-CB 3.21Å; Q168-I172 VanDerWaalsContact O-CG1 3.3Å; Q168-I172 WeakPolarHBondContact O-CG1 3.41Å; Q168-I172 PolarHBondContact O-N 2.97Å
173A65.9Low64.8Low59 Ų5968 Ų6849%0.48834%0.337SS..Hα-helixtrans-78.6-24.3-178.100000113.3H169H169-A173 WeakPolarHBondContact O-CB 3.39Å; H169-A173 PolarHBondContact O-N 3.18Å
174R63Low63Low101 Ų10173.2 Ų73.238%0.38136%0.356SS..  trans-140.271.7-175.4-60-164.7177.6-151.40.7111.9Y6 F170 V171 Y176 D177Y6-R174 VanDerWaalsContact OH-CZ 3.31Å; Y6-R174 PolarHBondContact OH-NH2 3.4Å; F170-R174 WeakPolarHBondContact O-CA 3.34Å; F170-R174 WeakPolarHBondContact O-CB 3.31Å; F170-R174 PolarHBondContact O-N 3.43Å; V171-R174 CarbonylContact O-C 3.39Å; R174-Y176 PolarHBondContact O-N 2.8Å; R174-D177 HydrophobicContact CB-CB 4.22Å; R174-D177 WeakPolarHBondContact CD-OD2 3.36Å; R174-D177 IonicContact NH1-OD2 2.82Å; R174-D177 PolarHBondContact NH1-OD2 3.13Å; R174-D177 PolarHBondContact O-N 2.94Å; R174-D177 VanDerWaalsContact O-N 3.14Å
175P52.8Low61.7Low77 Ų7772.5 Ų72.550%0.535%0.353SS..THydrogen-bonded Turntrans-62.7-16.6-176.623.4-33.5000114.4I178P175-I178 HydrophobicContact CB-CD1 4.43Å; P175-I178 WeakPolarHBondContact O-CD1 3.34Å; P175-I178 VanDerWaalsContact O-CG1 3.29Å; P175-I178 WeakPolarHBondContact O-CG1 3.22Å
176Y53.7Low60.3Low219 Ų21976.9 Ų76.986%0.85938%0.375SS*.THydrogen-bonded Turntrans-92.9-11.4179.9-64.2-78.1000114.6R174R174-Y176 PolarHBondContact O-N 2.8Å
177D52.6Low59.2Low75 Ų7581.1 Ų81.140%0.40141%0.405SS..SBendtrans-105.810.9-177.1-68.9-22.7000113.2R174 L179 H181R174-D177 HydrophobicContact CB-CB 4.22Å; R174-D177 WeakPolarHBondContact CD-OD2 3.36Å; R174-D177 IonicContact NH1-OD2 2.82Å; R174-D177 PolarHBondContact NH1-OD2 3.13Å; R174-D177 PolarHBondContact O-N 2.94Å; R174-D177 VanDerWaalsContact O-N 3.14Å; D177-L179 PolarHBondContact O-N 2.93Å; D177-H181 PolarHBondContact O-ND1 2.91Å
178I48.3Very low58.1Low64 Ų6483.8 Ų83.833%0.32842%0.424SS..Hα-helixtrans-59.3-45.9-162-68.7173.2000114.4V171 P175 F180 H181 V182V171-I178 HydrophobicContact CG1-CD1 3.96Å; V171-I178 HydrophobicContact CG1-CG1 4.24Å; V171-I178 HydrophobicContact CG2-CG1 4.43Å; V171-I178 HydrophobicContact CG2-CG2 4.32Å; P175-I178 HydrophobicContact CB-CD1 4.43Å; P175-I178 WeakPolarHBondContact O-CD1 3.34Å; P175-I178 VanDerWaalsContact O-CG1 3.29Å; P175-I178 WeakPolarHBondContact O-CG1 3.22Å; I178-F180 VanDerWaalsContact C-N 3.33Å; I178-F180 PolarHBondContact O-N 2.7Å; I178-H181 PolarHBondContact O-N 3.06Å; I178-V182 HydrophobicContact CG2-CG2 4.34Å; I178-V182 WeakPolarHBondContact O-CG2 3.5Å
179L50.7Low57Low153 Ų15383 Ų8380%0.80142%0.421SS*.Hα-helixtrans-68.2-30-169.1-91.7147.7000113.6D177D177-L179 PolarHBondContact O-N 2.93Å
180F52Low55.5Low165 Ų16585.9 Ų85.972%0.72444%0.444SS*.Hα-helixtrans-79.1-26.7-176.8-97-84.9000113.9I178I178-F180 VanDerWaalsContact C-N 3.33Å; I178-F180 PolarHBondContact O-N 2.7Å
181H49.2Very low54.3Low46 Ų4691.2 Ų91.221%0.21348%0.477CS..Hα-helixtrans-92-40.4-171.7-67.986.4000112.9D177 I178 Q183 R184 V185D177-H181 PolarHBondContact O-ND1 2.91Å; I178-H181 PolarHBondContact O-N 3.06Å; H181-Q183 PolarHBondContact O-N 2.94Å; H181-R184 PolarHBondContact O-N 3.05Å; H181-R184 VanDerWaalsContact O-N 3.15Å; H181-V185 PolarHBondContact O-N 2.94Å
182V53.2Low53.2Low47 Ų4795.2 Ų95.229%0.28550%0.498SS..Hα-helixtrans-59.8-46.8-177.1179.20000111.5V167 V171 I178 R184 V185 L186V167-V182 HydrophobicContact CG1-CB 4.39Å; V167-V182 HydrophobicContact CG1-CG1 4.32Å; V167-V182 HydrophobicContact CG1-CG2 3.82Å; V171-V182 HydrophobicContact CG2-CG2 4.21Å; I178-V182 HydrophobicContact CG2-CG2 4.34Å; I178-V182 WeakPolarHBondContact O-CG2 3.5Å; V182-R184 VanDerWaalsContact C-N 3.27Å; V182-R184 PolarHBondContact O-N 2.93Å; V182-V185 PolarHBondContact O-N 3.24Å; V182-L186 HydrophobicContact CG1-CD1 4.19Å; V182-L186 PolarHBondContact O-N 2.88Å
183Q53.5Low51.7Low157 Ų15794.2 Ų94.273%0.73451%0.51SS*.Hα-helixtrans-67.7-26.3-179.6-167172-12.200112.7H181 S187H181-Q183 PolarHBondContact O-N 2.94Å; Q183-S187 VanDerWaalsContact O-CB 3.29Å; Q183-S187 WeakPolarHBondContact O-CB 3.32Å; Q183-S187 PolarHBondContact O-N 2.71Å; Q183-S187 PolarHBondContact O-OG 3.1Å
184R51.2Low50.2Low112 Ų112102.1 Ų102.142%0.42353%0.527SS..Hα-helixtrans-81.1-34.6178.3-85179.7160.9-161.7-7.4113.2D53 H181 V182 S187 S188D53-R184 IonicContact OD2-CZ 2.71Å; D53-R184 IonicContact OD2-NH1 2.64Å; D53-R184 PolarHBondContact OD2-NH1 2.79Å; D53-R184 IonicContact OD2-NH2 2.74Å; H181-R184 PolarHBondContact O-N 3.05Å; H181-R184 VanDerWaalsContact O-N 3.15Å; V182-R184 VanDerWaalsContact C-N 3.27Å; V182-R184 PolarHBondContact O-N 2.93Å; R184-S187 WeakPolarHBondContact CA-OG 3.11Å; R184-S187 PolarHBondContact O-OG 3.3Å; R184-S188 WeakPolarHBondContact O-CB 3.5Å; R184-S188 PolarHBondContact O-N 3.04Å; R184-S188 VanDerWaalsContact O-N 3.13Å; R184-S188 PolarHBondContact O-OG 3.03Å
185V56Low48.9Very low5 Ų5101.8 Ų101.83%0.0355%0.546CS..Hα-helixtrans-70.3-47.9174.7-177.60000110.5V51 A163 V167 H181 V182 S187 S188 L189V51-V185 HydrophobicContact CB-CG2 4.01Å; V51-V185 HydrophobicContact CG1-CG2 3.34Å; V51-V185 HydrophobicContact CG2-CG2 3.78Å; A163-V185 HydrophobicContact CB-CG1 4.11Å; V167-V185 HydrophobicContact CG2-CB 3.53Å; V167-V185 HydrophobicContact CG2-CG1 3.52Å; V167-V185 HydrophobicContact CG2-CG2 3.75Å; H181-V185 PolarHBondContact O-N 2.94Å; V182-V185 PolarHBondContact O-N 3.24Å; V185-S187 PolarHBondContact O-N 2.83Å; V185-S188 PolarHBondContact O-N 3.41Å; V185-S188 VanDerWaalsContact O-N 3.11Å; V185-S188 PolarHBondContact O-OG 3.31Å; V185-L189 WeakPolarHBondContact O-CG 3.36Å; V185-L189 PolarHBondContact O-N 2.89Å
186L55.9Low48Very low93 Ų93108.5 Ų108.549%0.48756%0.561SS.*Hα-helixtrans-64.8-29.1-179.9-65.8177000112.9V182 L189V182-L186 HydrophobicContact CG1-CD1 4.19Å; V182-L186 PolarHBondContact O-N 2.88Å; L186-L189 HydrophobicContact CD2-CD1 4.26Å
187S56.4Low47Very low89 Ų89103.2 Ų103.262%0.62256%0.556SS**Hα-helixtrans-83-17.1175.157.50000114.3Q183 R184 V185Q183-S187 VanDerWaalsContact O-CB 3.29Å; Q183-S187 WeakPolarHBondContact O-CB 3.32Å; Q183-S187 PolarHBondContact O-N 2.71Å; Q183-S187 PolarHBondContact O-OG 3.1Å; R184-S187 WeakPolarHBondContact CA-OG 3.11Å; R184-S187 PolarHBondContact O-OG 3.3Å; V185-S187 PolarHBondContact O-N 2.83Å
188S55Low46Very low65 Ų65106.6 Ų106.646%0.45557%0.574SS.*Hα-helixtrans-89.2-15.1174.671.10000113.5M50 R184 V185M50-S188 PolarHBondContact O-OG 3.25Å; R184-S188 WeakPolarHBondContact O-CB 3.5Å; R184-S188 PolarHBondContact O-N 3.04Å; R184-S188 VanDerWaalsContact O-N 3.13Å; R184-S188 PolarHBondContact O-OG 3.03Å; V185-S188 PolarHBondContact O-N 3.41Å; V185-S188 VanDerWaalsContact O-N 3.11Å; V185-S188 PolarHBondContact O-OG 3.31Å
189L50.2Low45.3Very low31 Ų31108.5 Ų108.516%0.16259%0.593CS.*SBendtrans-71.2139.7170.5-63.1171.5000109.8E159 A163 V185 L186 T191E159-L189 HydrophobicContact CB-CD2 4.24Å; A163-L189 HydrophobicContact CB-CD1 3.57Å; A163-L189 HydrophobicContact CB-CD2 3.61Å; A163-L189 HydrophobicContact CB-CG 4.11Å; V185-L189 WeakPolarHBondContact O-CG 3.36Å; V185-L189 PolarHBondContact O-N 2.89Å; L186-L189 HydrophobicContact CD2-CD1 4.26Å; L189-T191 PolarHBondContact O-N 3.25Å
190P42.3Very low45.1Very low104 Ų104110.7 Ų110.768%0.67562%0.616SS**  trans-54.9116.3168.5-18.129000108D192P190-D192 PolarHBondContact O-N 3.17Å
191T48.5Very low44.8Very low124 Ų124108 Ų10876%0.76161%0.611SS**  trans-60.1111171.651.50000106.7L189 G193L189-T191 PolarHBondContact O-N 3.25Å; T191-G193 PolarHBondContact O-N 3.22Å; T191-G193 VanDerWaalsContact O-N 3.08Å
192D42.2Very low44.5Very low123 Ų123111.2 Ų111.266%0.65863%0.632SS**  trans-56.1122170.8-164.64.7000106.7P190 R194P190-D192 PolarHBondContact O-N 3.17Å; D192-R194 PolarHBondContact O-N 3.1Å
193G33.1Very low44.1Very low70 Ų70114.8 Ų114.872%0.72265%0.651SS**  trans-7258.4-167.600000112.1T191 A195T191-G193 PolarHBondContact O-N 3.22Å; T191-G193 VanDerWaalsContact O-N 3.08Å; G193-A195 PolarHBondContact O-N 3Å
194R34.9Very low43.5Very low224 Ų224112.3 Ų112.385%0.84565%0.646SS**  trans-93.983.1158.2-76.7-172.5177.6-172.20.2107.5D192 R196D192-R194 PolarHBondContact O-N 3.1Å; R194-R196 PolarHBondContact O-N 2.93Å
195A36Very low43Very low95 Ų95112.3 Ų112.379%0.78566%0.66SS**  trans-46.3109.5158.200000107.9G193 S197G193-A195 PolarHBondContact O-N 3Å; A195-S197 VanDerWaalsContact C-N 3.26Å; A195-S197 PolarHBondContact O-N 2.76Å
196R33.1Very low42.2Very low217 Ų217119.5 Ų119.582%0.81970%0.702SS**  trans-62.998.1159.1-75.2-178.1175.5-132.40.2105.8R194 L198R194-R196 PolarHBondContact O-N 2.93Å; R196-L198 HydrophobicContact CB-CG 4.47Å; R196-L198 PolarHBondContact O-N 3.15Å
197S32.7Very low41.2Very low108 Ų108121.4 Ų121.476%0.75572%0.717SS**  trans-68.783.7156.264.30000106.9A195A195-S197 VanDerWaalsContact C-N 3.26Å; A195-S197 PolarHBondContact O-N 2.76Å
198L31Very low40Very low146 Ų146123.8 Ų123.876%0.76473%0.725SS**  trans-100.895.8157.2-71.9170.1000105.1R196R196-L198 HydrophobicContact CB-CG 4.47Å; R196-L198 PolarHBondContact O-N 3.15Å
199S34.7Very low38.7Very low104 Ų104128.8 Ų128.873%0.72775%0.747SS**  trans-111.8144.6167.953.20000107.8
200P46.6Very low37.7Very low199 Ų199137.6 Ų137.6100%1.29280%0.8SS**  -89.80-88.133.9-29.8000113

Retrieved 200 of 200 residues in 468.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).