A0A096N6F7_PAPAN Loading...

Actin-like protein 6A

AlphaFold DB (O96019), UniProt , Accession A0A096N6F7, Species PAPAN (Papio anubis, Olive baboon), Gene ACTL6A, Length 429 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M28.5Very low42.9Very low239 Ų239107.9 Ų107.9100%1.17768%0.677SS**  01280-80.1-127.8-77.600107.7
2S36.5Very low46.5Very low101 Ų101101.8 Ų101.871%0.70665%0.65SS**  trans57.587.6172.61770000114.9G4S2-G4 PolarHBondContact O-N 3.46Å; S2-G4 VanDerWaalsContact O-N 3.14Å
3G41.5Very low50.3Low68 Ų6893.9 Ų93.970%0.70160%0.6SS**  trans-50122.3151.700000106.9V5G3-V5 PolarHBondContact O-N 3.41Å
4G42.5Very low53.6Low57 Ų5787.3 Ų87.359%0.58856%0.558SS**  trans-48.1109.7-170.800000109.3S2 Y6S2-G4 PolarHBondContact O-N 3.46Å; S2-G4 VanDerWaalsContact O-N 3.14Å; G4-Y6 PolarHBondContact O-N 2.84Å
5V40.9Very low56.6Low129 Ų12981.5 Ų81.578%0.78252%0.521SS*.  trans-63.898.9164.6-179.60000103.5G3 G7G3-V5 PolarHBondContact O-N 3.41Å; V5-G7 PolarHBondContact O-N 3.03Å
6Y44.5Very low59.2Low103 Ų10376.4 Ų76.440%0.40449%0.488SS..  trans-63.985.5172.9-90.9-89.7000107G4 V11 P119 P147G4-Y6 PolarHBondContact O-N 2.84Å; Y6-V11 HydrophobicContact CD1-CG1 4.17Å; Y6-V11 HydrophobicContact CD1-CG2 4.04Å; Y6-V11 HydrophobicContact CE1-CG1 4.2Å; Y6-P119 HydrophobicContact CE1-CG 3.69Å; Y6-P147 HydrophobicContact CE2-CB 4.47Å; Y6-P147 VanDerWaalsContact OH-CB 3.26Å; Y6-P147 WeakPolarHBondContact OH-CB 3.06Å; Y6-P147 WeakPolarHBondContact OH-CG 3.29Å
7G41.2Very low61.5Low71 Ų7172.2 Ų72.273%0.73246%0.461SS*.  trans-134.625.8-170.600000113.1V5V5-G7 PolarHBondContact O-N 3.03Å
8G38.8Very low63.5Low47 Ų4769.2 Ų69.249%0.48544%0.44SS..SBendtrans-114.6140.5170.900000110.4E10G8-E10 PolarHBondContact O-N 2.79Å
9D45.9Very low65.2Low167 Ų16766.8 Ų66.889%0.89343%0.43SS*.SBendtrans-56.2-10.2173.7-76-33.4000113.6
10E51.9Low66.7Low187 Ų18765 Ų6587%0.87442%0.419SS*.  trans-103.156.7178.8-62.2-174.4169.700112.4G8 G12G8-E10 PolarHBondContact O-N 2.79Å; E10-G12 PolarHBondContact O-N 2.85Å
11V59.9Low68.1Low18 Ų1866.9 Ų66.911%0.10942%0.419CS..  trans-74.8101.9166.1-1740000107.5Y6 A13 P119Y6-V11 HydrophobicContact CD1-CG1 4.17Å; Y6-V11 HydrophobicContact CD1-CG2 4.04Å; Y6-V11 HydrophobicContact CE1-CG1 4.2Å; V11-A13 HydrophobicContact CG1-CB 4.03Å; V11-A13 PolarHBondContact O-N 3.28Å; V11-P119 HydrophobicContact CG1-CB 4.44Å; V11-P119 HydrophobicContact CG1-CG 3.75Å
12G86Confident71.4Confident34 Ų3455.8 Ų55.835%0.35137%0.365SS..  trans-67.550.1171.800000112.4E10 H118E10-G12 PolarHBondContact O-N 2.85Å; G12-H118 PolarHBondContact O-ND1 3.04Å
13A95.4Very high74.3Confident0 Ų051 Ų510%033%0.331CS..  trans-66.7143.1177.200000109.9V11 Y27 A28 P119 A401 W410V11-A13 HydrophobicContact CG1-CB 4.03Å; V11-A13 PolarHBondContact O-N 3.28Å; A13-Y27 WeakPolarHBondContact O-CA 3.48Å; A13-A28 HydrophobicContact CB-CB 4.08Å; A13-A28 PolarHBondContact O-N 3.35Å; A13-P119 CarbonylContact C-O 3.59Å; A13-P119 VanDerWaalsContact CA-O 3.25Å; A13-P119 WeakPolarHBondContact CA-O 3.37Å; A13-P119 HydrophobicContact CB-CB 4.14Å; A13-A401 HydrophobicContact CB-CB 4.22Å; A13-W410 HydrophobicContact CB-CH2 4.14Å; A13-W410 HydrophobicContact CB-CZ2 4.05Å
14L97.3Very high77Confident1 Ų149 Ų491%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-99138.4172.7-68.2167.2000109.6F16 G26 Y27 Y107 V111 H118 P119 V120 L121L14-F16 HydrophobicContact CB-CD2 4.15Å; L14-F16 HydrophobicContact CB-CE2 3.65Å; L14-F16 HydrophobicContact CD1-CE2 4.17Å; L14-G26 WeakPolarHBondContact CA-O 3.46Å; L14-Y27 HydrophobicContact CD2-CD1 3.69Å; L14-Y27 HydrophobicContact CD2-CD2 4.49Å; L14-Y27 HydrophobicContact CD2-CE1 3.58Å; L14-Y27 HydrophobicContact CD2-CE2 4.4Å; L14-Y27 HydrophobicContact CD2-CG 4.16Å; L14-Y27 HydrophobicContact CG-CD1 4.47Å; L14-Y27 HydrophobicContact CG-CE1 4.34Å; L14-Y107 HydrophobicContact CD1-CD1 4.42Å; L14-Y107 HydrophobicContact CD1-CE1 3.58Å; L14-V111 HydrophobicContact CD1-CG1 3.83Å; L14-V111 HydrophobicContact CD1-CG2 4.27Å; L14-V111 HydrophobicContact CD2-CG1 4.01Å; L14-V111 HydrophobicContact CD2-CG2 4.22Å; L14-H118 HydrophobicContact CD1-CB 3.69Å; L14-H118 HydrophobicContact CG-CB 3.92Å; L14-P119 PolarHBondContact N-O 2.69Å; L14-V120 HydrophobicContact CB-CG2 4.47Å; L14-V120 WeakPolarHBondContact O-CA 3.49Å; L14-L121 PolarHBondContact O-N 2.9Å
15V98.2Very high79.6Confident1 Ų146.3 Ų46.31%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-110.5120.5176.2-179.50000108.5A25 G26 A28 L121 W394 A401V15-A25 VanDerWaalsContact O-CA 3.24Å; V15-A25 WeakPolarHBondContact O-CA 3.39Å; V15-G26 PolarHBondContact N-O 3.28Å; V15-G26 PolarHBondContact O-N 3.24Å; V15-A28 HydrophobicContact CG2-CB 4.17Å; V15-L121 CarbonylContact C-O 3.48Å; V15-L121 WeakPolarHBondContact CA-O 3.41Å; V15-L121 HydrophobicContact CG1-CD2 4.09Å; V15-L121 HydrophobicContact CG2-CB 4.46Å; V15-W394 HydrophobicContact CB-CZ2 4.48Å; V15-W394 HydrophobicContact CG1-CG 4.31Å; V15-W394 PolarHBondContact O-NE1 3.29Å; V15-A401 HydrophobicContact CG2-CB 4.18Å
16F98.4Very high82.3Confident0 Ų040.2 Ų40.20%024%0.238CC..EExtended strand (participates in β ladder)trans-110.8119.1176.3-73.4-103.4000110.1L14 A25 L103 T106 Y107 V120 L121 M122 S123L14-F16 HydrophobicContact CB-CD2 4.15Å; L14-F16 HydrophobicContact CB-CE2 3.65Å; L14-F16 HydrophobicContact CD1-CE2 4.17Å; F16-A25 HydrophobicContact CD1-CB 3.85Å; F16-A25 HydrophobicContact CE1-CB 3.94Å; F16-A25 HydrophobicContact CG-CB 4.3Å; F16-A25 HydrophobicContact CZ-CB 4.46Å; F16-L103 HydrophobicContact CD1-CD2 3.83Å; F16-L103 HydrophobicContact CE1-CD2 3.85Å; F16-T106 HydrophobicContact CD1-CG2 4.39Å; F16-T106 HydrophobicContact CE1-CG2 3.6Å; F16-T106 HydrophobicContact CZ-CG2 4.29Å; F16-Y107 HydrophobicContact CE1-CE2 4.47Å; F16-Y107 HydrophobicContact CE2-CE2 4.5Å; F16-Y107 HydrophobicContact CZ-CD2 4.39Å; F16-Y107 HydrophobicContact CZ-CE1 4.11Å; F16-Y107 AromaticContact CZ-CE2 3.79Å; F16-Y107 HydrophobicContact CZ-CE2 3.79Å; F16-Y107 AromaticContact CZ-CZ 3.64Å; F16-V120 HydrophobicContact CD2-CG1 3.67Å; F16-V120 HydrophobicContact CE2-CG1 4.09Å; F16-V120 HydrophobicContact CE2-CG2 4.32Å; F16-L121 PolarHBondContact N-O 3.2Å; F16-M122 HydrophobicContact CB-CB 4.42Å; F16-M122 HydrophobicContact CB-CE 3.88Å; F16-M122 HydrophobicContact CB-CG 3.94Å; F16-M122 HydrophobicContact CG-CE 4.14Å; F16-M122 CarbonylContact O-C 3.59Å; F16-M122 WeakPolarHBondContact O-CA 3.43Å; F16-S123 PolarHBondContact O-N 3.33Å
17D97.9Very high84.7Confident5 Ų537.9 Ų37.93%0.02723%0.229CC..EExtended strand (participates in β ladder)trans-117.799.4172.9175.228.5000109.1R24 S123 S393 W394D17-R24 HydrophobicContact CB-CB 4.25Å; D17-R24 PolarHBondContact N-O 3.48Å; D17-R24 PolarHBondContact O-N 3.15Å; D17-R24 IonicContact OD2-CZ 2.6Å; D17-R24 IonicContact OD2-NH1 2.71Å; D17-R24 PolarHBondContact OD2-NH1 2.97Å; D17-S123 WeakPolarHBondContact CA-OG 3.28Å; D17-S123 PolarHBondContact OD1-OG 2.91Å; D17-S123 VanDerWaalsContact OD1-OG 3.1Å; D17-S393 PolarHBondContact OD1-OG 3.22Å; D17-S393 PolarHBondContact OD2-OG 3.14Å; D17-W394 HydrophobicContact CB-CB 3.78Å; D17-W394 HydrophobicContact CB-CG 4.24Å; D17-W394 PolarHBondContact OD2-N 3.26Å
18I97Very high87.3Confident17 Ų1735.3 Ų35.39%0.08720%0.201CC..EExtended strand (participates in β ladder)trans-106.688.1-172.9-52.9-178.5000108.7V23 T39 L88 F99 L103 M122I18-V23 HydrophobicContact CG1-CG1 4.3Å; I18-V23 HydrophobicContact CG2-CG2 3.94Å; I18-T39 HydrophobicContact CG2-CG2 4.37Å; I18-L88 HydrophobicContact CG2-CD1 4.18Å; I18-L88 WeakPolarHBondContact O-CD1 3.27Å; I18-F99 HydrophobicContact CB-CE2 4.33Å; I18-F99 HydrophobicContact CD1-CE2 3.53Å; I18-F99 HydrophobicContact CD1-CZ 3.65Å; I18-F99 HydrophobicContact CG2-CE2 4Å; I18-L103 HydrophobicContact CD1-CD2 3.79Å; I18-M122 HydrophobicContact CD1-SD 4.42Å
19G95.8Very high89.9Confident24 Ų2435.5 Ų35.525%0.24720%0.203CC..  trans-86.2170178.500000112.7Y21 T22 T39 L88G19-Y21 PolarHBondContact O-N 3.21Å; G19-T22 PolarHBondContact N-O 2.95Å; G19-T39 WeakPolarHBondContact O-CB 3.26Å; G19-T39 WeakPolarHBondContact O-CG2 3.4Å; G19-T39 PolarHBondContact O-OG1 3.13Å; G19-L88 VanDerWaalsContact C-CD1 3.45Å; G19-L88 VanDerWaalsContact O-CD1 3.26Å; G19-L88 WeakPolarHBondContact O-CD1 3.49Å
20S95.8Very high92.1Very high30 Ų3031.3 Ų31.321%0.2118%0.178CC..SBendtrans-64.5-21179.6-57.40000114.9T175S20-T175 PolarHBondContact OG-OG1 3.43Å
21Y96.2Very high93.9Very high106 Ų10629.4 Ų29.442%0.41617%0.174SC..SBendtrans-105.4-44.8-178.7-178.4-115.7000112.9G19 P38 T39 A174 Q260G19-Y21 PolarHBondContact O-N 3.21Å; Y21-P38 WeakPolarHBondContact O-CA 3.33Å; Y21-T39 PolarHBondContact O-N 3.37Å; Y21-A174 HydrophobicContact CG-CB 4.5Å; Y21-Q260 PolarHBondContact OH-OE1 3.26Å
22T96.9Very high95.5Very high6 Ų631.4 Ų31.44%0.03719%0.188CC..EExtended strand (participates in β ladder)trans-133.3142-176.154.70000111.8G19 R24 D36 F37 T39 R390G19-T22 PolarHBondContact N-O 2.95Å; T22-R24 PolarHBondContact OG1-NE 3.33Å; T22-R24 PolarHBondContact OG1-NH2 2.92Å; T22-R24 VanDerWaalsContact OG1-NH2 3.11Å; T22-D36 VanDerWaalsContact CB-OD1 3.27Å; T22-D36 WeakPolarHBondContact CB-OD1 3.48Å; T22-D36 WeakPolarHBondContact CG2-OD1 3.24Å; T22-F37 CarbonylContact C-O 3.57Å; T22-F37 WeakPolarHBondContact CA-O 3.16Å; T22-T39 WeakPolarHBondContact CA-OG1 3.49Å; T22-T39 PolarHBondContact N-OG1 3.04Å; T22-T39 VanDerWaalsContact N-OG1 3.14Å; T22-T39 PolarHBondContact O-OG1 2.96Å; T22-R390 VanDerWaalsContact CG2-NH2 3.26Å
23V98Very high95.9Very high0 Ų030.6 Ų30.60%018%0.176CC..EExtended strand (participates in β ladder)trans-90.1131.2164.7174.80000108.1I18 D36 F37 T39 I102I18-V23 HydrophobicContact CG1-CG1 4.3Å; I18-V23 HydrophobicContact CG2-CG2 3.94Å; V23-D36 WeakPolarHBondContact O-CA 3.45Å; V23-F37 HydrophobicContact CB-CD1 4.17Å; V23-F37 HydrophobicContact CB-CD2 4.27Å; V23-F37 HydrophobicContact CB-CE1 3.81Å; V23-F37 HydrophobicContact CB-CE2 3.88Å; V23-F37 HydrophobicContact CB-CG 4.41Å; V23-F37 HydrophobicContact CB-CZ 3.66Å; V23-F37 HydrophobicContact CG1-CD1 4.29Å; V23-F37 HydrophobicContact CG1-CE1 3.54Å; V23-F37 HydrophobicContact CG1-CE2 4.24Å; V23-F37 HydrophobicContact CG1-CZ 3.51Å; V23-F37 HydrophobicContact CG2-CE2 3.91Å; V23-F37 HydrophobicContact CG2-CZ 4.02Å; V23-F37 PolarHBondContact N-O 3.06Å; V23-F37 PolarHBondContact O-N 2.98Å; V23-T39 HydrophobicContact CG2-CG2 4.28Å; V23-T39 PolarHBondContact N-OG1 2.84Å; V23-I102 HydrophobicContact CB-CG2 4.41Å; V23-I102 HydrophobicContact CG1-CG2 4.06Å; V23-I102 HydrophobicContact CG2-CD1 4.29Å; V23-I102 HydrophobicContact CG2-CG2 3.58Å
24R97.7Very high95.9Very high25 Ų2535.3 Ų35.39%0.09420%0.197CC..EExtended strand (participates in β ladder)trans-126.9133.7174.2-59.7160.8-157.4156.2-5109.7D17 T22 P33 V35 D36 R390 F391 W394D17-R24 HydrophobicContact CB-CB 4.25Å; D17-R24 PolarHBondContact N-O 3.48Å; D17-R24 PolarHBondContact O-N 3.15Å; D17-R24 IonicContact OD2-CZ 2.6Å; D17-R24 IonicContact OD2-NH1 2.71Å; D17-R24 PolarHBondContact OD2-NH1 2.97Å; T22-R24 PolarHBondContact OG1-NE 3.33Å; T22-R24 PolarHBondContact OG1-NH2 2.92Å; T22-R24 VanDerWaalsContact OG1-NH2 3.11Å; R24-P33 HydrophobicContact CB-CB 4.01Å; R24-P33 HydrophobicContact CB-CG 4.24Å; R24-P33 HydrophobicContact CG-CG 4.37Å; R24-V35 VanDerWaalsContact CA-O 3.27Å; R24-V35 WeakPolarHBondContact CA-O 3.27Å; R24-D36 HydrophobicContact CG-CB 4.36Å; R24-R390 PolarHBondContact NH1-O 2.9Å; R24-R390 PolarHBondContact NH2-O 3.26Å; R24-F391 HydrophobicContact CG-CD1 4.44Å; R24-F391 VanDerWaalsContact NE-CD1 3.34Å; R24-W394 HydrophobicContact CB-CG 4.29Å
25A97.9Very high95.8Very high1 Ų136 Ų361%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-145.2149.2174.600000111.4V15 F16 K34 V35 T106V15-A25 VanDerWaalsContact O-CA 3.24Å; V15-A25 WeakPolarHBondContact O-CA 3.39Å; F16-A25 HydrophobicContact CD1-CB 3.85Å; F16-A25 HydrophobicContact CE1-CB 3.94Å; F16-A25 HydrophobicContact CG-CB 4.3Å; F16-A25 HydrophobicContact CZ-CB 4.46Å; A25-K34 WeakPolarHBondContact O-CA 3.4Å; A25-K34 WeakPolarHBondContact O-CB 3.45Å; A25-K34 PolarHBondContact O-N 3.01Å; A25-V35 HydrophobicContact CB-CG1 3.96Å; A25-V35 PolarHBondContact N-O 3.43Å; A25-V35 VanDerWaalsContact N-O 3.15Å; A25-V35 PolarHBondContact O-N 2.91Å; A25-T106 HydrophobicContact CB-CG2 3.55Å
26G96.8Very high95.8Very high1 Ų138.5 Ų38.51%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-178.7-176.3178.900000111.9L14 V15L14-G26 WeakPolarHBondContact CA-O 3.46Å; V15-G26 PolarHBondContact N-O 3.28Å; V15-G26 PolarHBondContact O-N 3.24Å
27Y96.1Very high95.7Very high54 Ų5438.6 Ų38.621%0.21222%0.215CC..EExtended strand (participates in β ladder)trans-85.7146.5179.1-67.6-83.6000111.1A13 L14 E30 K34 H118A13-Y27 WeakPolarHBondContact O-CA 3.48Å; L14-Y27 HydrophobicContact CD2-CD1 3.69Å; L14-Y27 HydrophobicContact CD2-CD2 4.49Å; L14-Y27 HydrophobicContact CD2-CE1 3.58Å; L14-Y27 HydrophobicContact CD2-CE2 4.4Å; L14-Y27 HydrophobicContact CD2-CG 4.16Å; L14-Y27 HydrophobicContact CG-CD1 4.47Å; L14-Y27 HydrophobicContact CG-CE1 4.34Å; Y27-E30 PolarHBondContact N-OE2 3.01Å; Y27-E30 VanDerWaalsContact N-OE2 3.12Å; Y27-E30 WeakPolarHBondContact O-CB 3.32Å; Y27-E30 PolarHBondContact O-N 3.29Å; Y27-K34 HydrophobicContact CE2-CD 4.2Å; Y27-H118 AromaticContact CE1-CE1 3.9Å
28A95.3Very high95.7Very high18 Ų1839.2 Ų39.215%0.14922%0.219CC..THydrogen-bonded Turntrans-61.9143169.800000110.7A13 V15 E30 A401A13-A28 HydrophobicContact CB-CB 4.08Å; A13-A28 PolarHBondContact O-N 3.35Å; V15-A28 HydrophobicContact CG2-CB 4.17Å; A28-E30 VanDerWaalsContact C-N 3.32Å; A28-A401 HydrophobicContact CB-CB 3.58Å
29G93Very high95.8Very high51 Ų5138.4 Ų38.453%0.52622%0.215SC..THydrogen-bonded Turntrans86.5-6.8-17600000114.6S398G29-S398 PolarHBondContact N-O 3.03Å; G29-S398 PolarHBondContact N-OG 3.27Å
30E92.9Very high95.9Very high79 Ų7938 Ų3837%0.36921%0.21SC..  trans-84.2145171.4-63.8179.6154.900111.1Y27 A28 C32 W394 S398Y27-E30 PolarHBondContact N-OE2 3.01Å; Y27-E30 VanDerWaalsContact N-OE2 3.12Å; Y27-E30 WeakPolarHBondContact O-CB 3.32Å; Y27-E30 PolarHBondContact O-N 3.29Å; A28-E30 VanDerWaalsContact C-N 3.32Å; E30-C32 VanDerWaalsContact C-N 3.29Å; E30-C32 PolarHBondContact O-N 3.09Å; E30-W394 HydrophobicContact CB-CH2 4.1Å; E30-W394 WeakPolarHBondContact O-CH2 2.98Å; E30-W394 WeakPolarHBondContact O-CZ3 3.47Å; E30-S398 PolarHBondContact N-OG 2.61Å; E30-S398 PolarHBondContact O-OG 3.43Å
31D90.4Very high96Very high146 Ų14636.6 Ų36.678%0.78120%0.2SC*.SBendtrans-73.8-19.1-179.5-65.9-39.8000113.4
32C91.6Very high96.1Very high60 Ų6031.6 Ų31.641%0.40518%0.18SC..SBendtrans-143.4150.2-176.7-70.10000110.5E30 V387 W394E30-C32 VanDerWaalsContact C-N 3.29Å; E30-C32 PolarHBondContact O-N 3.09Å; C32-V387 VanDerWaalsContact SG-CG1 3.59Å; C32-W394 WeakPolarHBondContact O-CH2 3.49Å
33P95.7Very high96.1Very high17 Ų1733.1 Ų33.111%0.1119%0.187CC..  trans-64.5142.6175.428.3-34.3000110.9R24 V35 F391 W394R24-P33 HydrophobicContact CB-CB 4.01Å; R24-P33 HydrophobicContact CB-CG 4.24Å; R24-P33 HydrophobicContact CG-CG 4.37Å; P33-V35 PolarHBondContact O-N 3.47Å; P33-F391 HydrophobicContact CG-CD2 3.89Å; P33-F391 HydrophobicContact CG-CE2 4Å; P33-F391 HydrophobicContact CG-CG 4.27Å; P33-F391 HydrophobicContact CG-CZ 4.42Å; P33-W394 HydrophobicContact CB-CD2 3.74Å; P33-W394 HydrophobicContact CB-CE3 4.18Å; P33-W394 HydrophobicContact CB-CG 4.16Å; P33-W394 HydrophobicContact CB-CH2 4.47Å; P33-W394 HydrophobicContact CB-CZ2 4.06Å; P33-W394 HydrophobicContact CG-CD2 4.28Å; P33-W394 HydrophobicContact CG-CE3 4.39Å; P33-W394 VanDerWaalsContact N-CZ3 3.32Å
34K95.1Very high96Very high100 Ų10033.9 Ų33.944%0.43519%0.192SC..SBendtrans-62.3-29.4173.8-171.6177.8-172.3-174.20112.3A25 Y27 H110 V111A25-K34 WeakPolarHBondContact O-CA 3.4Å; A25-K34 WeakPolarHBondContact O-CB 3.45Å; A25-K34 PolarHBondContact O-N 3.01Å; Y27-K34 HydrophobicContact CE2-CD 4.2Å; K34-H110 WeakPolarHBondContact CE-O 3.29Å; K34-H110 PolarHBondContact NZ-O 3.12Å; K34-V111 PolarHBondContact NZ-O 2.98Å
35V96.2Very high95.5Very high15 Ų1537 Ų379%0.09121%0.214CC..EExtended strand (participates in β ladder)trans-141.1144.5176.671.80000111.7R24 A25 P33 F37 T106 H110R24-V35 VanDerWaalsContact CA-O 3.27Å; R24-V35 WeakPolarHBondContact CA-O 3.27Å; A25-V35 HydrophobicContact CB-CG1 3.96Å; A25-V35 PolarHBondContact N-O 3.43Å; A25-V35 VanDerWaalsContact N-O 3.15Å; A25-V35 PolarHBondContact O-N 2.91Å; P33-V35 PolarHBondContact O-N 3.47Å; V35-F37 HydrophobicContact CG1-CD1 4.2Å; V35-F37 HydrophobicContact CG1-CE1 4.16Å; V35-F37 HydrophobicContact CG2-CD1 3.61Å; V35-F37 HydrophobicContact CG2-CE1 4.26Å; V35-T106 HydrophobicContact CG1-CG2 4.28Å; V35-H110 HydrophobicContact CB-CB 3.86Å; V35-H110 HydrophobicContact CG1-CB 3.92Å; V35-H110 HydrophobicContact CG2-CB 4.14Å; V35-H110 WeakPolarHBondContact CG2-CE1 3.23Å; V35-H110 VanDerWaalsContact CG2-CG 3.41Å; V35-H110 VanDerWaalsContact CG2-ND1 3.27Å; V35-H110 WeakPolarHBondContact CG2-ND1 3.41Å
36D96.2Very high94.5Very high53 Ų5341.1 Ų41.128%0.28323%0.232SC..EExtended strand (participates in β ladder)trans-140.4108.6171.6167.445.6000108.2T22 V23 R24 R390 F391T22-D36 VanDerWaalsContact CB-OD1 3.27Å; T22-D36 WeakPolarHBondContact CB-OD1 3.48Å; T22-D36 WeakPolarHBondContact CG2-OD1 3.24Å; V23-D36 WeakPolarHBondContact O-CA 3.45Å; R24-D36 HydrophobicContact CG-CB 4.36Å; D36-R390 IonicContact OD1-CZ 3.81Å; D36-R390 IonicContact OD1-NH2 3.6Å; D36-R390 PolarHBondContact OD1-NH2 3.27Å; D36-R390 IonicContact OD2-CZ 2.66Å; D36-R390 IonicContact OD2-NH1 3.46Å; D36-R390 PolarHBondContact OD2-NH1 3.44Å; D36-R390 VanDerWaalsContact OD2-NH1 3.14Å; D36-R390 IonicContact OD2-NH2 3.85Å; D36-R390 PolarHBondContact OD2-NH2 3.45Å; D36-F391 HydrophobicContact CB-CE1 4.5Å; D36-F391 HydrophobicContact CB-CZ 4.27Å
37F97.6Very high92.8Very high2 Ų249.2 Ų49.21%0.00926%0.263CS..EExtended strand (participates in β ladder)trans-138.8163-178.768.1-89.7000111.6T22 V23 V35 I70 D71 I102 T106T22-F37 CarbonylContact C-O 3.57Å; T22-F37 WeakPolarHBondContact CA-O 3.16Å; V23-F37 HydrophobicContact CB-CD1 4.17Å; V23-F37 HydrophobicContact CB-CD2 4.27Å; V23-F37 HydrophobicContact CB-CE1 3.81Å; V23-F37 HydrophobicContact CB-CE2 3.88Å; V23-F37 HydrophobicContact CB-CG 4.41Å; V23-F37 HydrophobicContact CB-CZ 3.66Å; V23-F37 HydrophobicContact CG1-CD1 4.29Å; V23-F37 HydrophobicContact CG1-CE1 3.54Å; V23-F37 HydrophobicContact CG1-CE2 4.24Å; V23-F37 HydrophobicContact CG1-CZ 3.51Å; V23-F37 HydrophobicContact CG2-CE2 3.91Å; V23-F37 HydrophobicContact CG2-CZ 4.02Å; V23-F37 PolarHBondContact N-O 3.06Å; V23-F37 PolarHBondContact O-N 2.98Å; V35-F37 HydrophobicContact CG1-CD1 4.2Å; V35-F37 HydrophobicContact CG1-CE1 4.16Å; V35-F37 HydrophobicContact CG2-CD1 3.61Å; V35-F37 HydrophobicContact CG2-CE1 4.26Å; F37-I70 HydrophobicContact CD2-CG2 4.18Å; F37-I70 HydrophobicContact CE2-CG2 3.52Å; F37-I70 HydrophobicContact CZ-CG2 4.2Å; F37-D71 HydrophobicContact CB-CB 4.36Å; F37-D71 VanDerWaalsContact CB-OD1 3.31Å; F37-D71 WeakPolarHBondContact CB-OD1 3.26Å; F37-D71 HydrophobicContact CD2-CB 4.42Å; F37-D71 HydrophobicContact CG-CB 4.45Å; F37-I102 HydrophobicContact CE2-CG2 4.18Å; F37-I102 HydrophobicContact CZ-CG2 3.92Å; F37-T106 WeakPolarHBondContact CZ-OG1 3.41Å
38P98Very high90.9Very high18 Ų1854.9 Ų54.912%0.11730%0.297CS..EExtended strand (participates in β ladder)trans-60.3139.4-178.5-24.434.8000113.2Y21 A40 T72 L75Y21-P38 WeakPolarHBondContact O-CA 3.33Å; P38-A40 PolarHBondContact O-N 3.1Å; P38-T72 WeakPolarHBondContact CD-OG1 3.47Å; P38-L75 HydrophobicContact CB-CD2 4.23Å
39T97.9Very high88.8Confident0 Ų059.5 Ų59.50%032%0.319CS..SBendtrans-73.1-21.6170.9-50.80000112.2I18 G19 Y21 T22 V23 P87 L88 I102I18-T39 HydrophobicContact CG2-CG2 4.37Å; G19-T39 WeakPolarHBondContact O-CB 3.26Å; G19-T39 WeakPolarHBondContact O-CG2 3.4Å; G19-T39 PolarHBondContact O-OG1 3.13Å; Y21-T39 PolarHBondContact O-N 3.37Å; T22-T39 WeakPolarHBondContact CA-OG1 3.49Å; T22-T39 PolarHBondContact N-OG1 3.04Å; T22-T39 VanDerWaalsContact N-OG1 3.14Å; T22-T39 PolarHBondContact O-OG1 2.96Å; V23-T39 HydrophobicContact CG2-CG2 4.28Å; V23-T39 PolarHBondContact N-OG1 2.84Å; T39-P87 HydrophobicContact CG2-CG 4.24Å; T39-P87 WeakPolarHBondContact O-CD 3.45Å; T39-L88 HydrophobicContact CG2-CD1 3.91Å; T39-L88 HydrophobicContact CG2-CG 4.19Å; T39-I102 HydrophobicContact CG2-CD1 4.28Å; T39-I102 WeakPolarHBondContact O-CD1 3.39Å
40A98Very high86.6Confident17 Ų1760.3 Ų60.314%0.1433%0.327CS..  trans-66.4141.5169.900000110.3P38 L75 I85 Y253P38-A40 PolarHBondContact O-N 3.1Å; A40-L75 HydrophobicContact CB-CD2 4.27Å; A40-L75 VanDerWaalsContact O-CD2 3.29Å; A40-L75 WeakPolarHBondContact O-CD2 3.39Å; A40-I85 CarbonylContact C-O 3.53Å; A40-I85 WeakPolarHBondContact CA-O 3.27Å; A40-Y253 HydrophobicContact CB-CD2 4.05Å; A40-Y253 HydrophobicContact CB-CE2 3.68Å
41I98.1Very high84.1Confident0 Ų060.8 Ų60.80%034%0.339CS..EExtended strand (participates in β ladder)trans-131.4153.4179.267.6175000110.3Y68 I70 A84 I85 I102I41-Y68 HydrophobicContact CD1-CD1 3.57Å; I41-Y68 HydrophobicContact CD1-CE1 3.99Å; I41-Y68 HydrophobicContact CD1-CG 4.43Å; I41-I70 HydrophobicContact CB-CG1 4.1Å; I41-I70 HydrophobicContact CG2-CB 4.42Å; I41-I70 HydrophobicContact CG2-CD1 4.48Å; I41-I70 HydrophobicContact CG2-CG1 3.78Å; I41-I70 HydrophobicContact CG2-CG2 4.26Å; I41-A84 WeakPolarHBondContact O-CA 3.3Å; I41-I85 HydrophobicContact CD1-CD1 4.38Å; I41-I85 HydrophobicContact CD1-CG1 4.35Å; I41-I85 HydrophobicContact CG1-CD1 4.24Å; I41-I85 HydrophobicContact CG1-CG1 3.69Å; I41-I85 PolarHBondContact N-O 2.73Å; I41-I85 PolarHBondContact O-N 3.48Å; I41-I102 HydrophobicContact CG2-CD1 3.77Å; I41-I102 HydrophobicContact CG2-CG1 3.66Å
42G98.1Very high82.1Confident0 Ų057.4 Ų57.40%032%0.324CS..EExtended strand (participates in β ladder)trans-87.2133.1171.600000109.2Y68 Y69 E83G42-Y68 CarbonylContact O-C 3.58Å; G42-Y68 WeakPolarHBondContact O-CA 3.41Å; G42-Y69 PolarHBondContact N-O 3.13Å; G42-Y69 PolarHBondContact O-N 2.9Å; G42-E83 CarbonylContact C-O 3.59Å; G42-E83 WeakPolarHBondContact CA-O 3.15Å
43M96.9Very high79.5Confident39 Ų3962.2 Ų62.219%0.19235%0.345CS..EExtended strand (participates in β ladder)trans-128126.7177.4-174.8-178.568.500109.8V45 P66 T67 Y68 M82 E83 I85M43-V45 HydrophobicContact CE-CG2 4.15Å; M43-P66 HydrophobicContact CG-CB 3.79Å; M43-P66 HydrophobicContact SD-CB 4.03Å; M43-T67 WeakPolarHBondContact CA-O 3.23Å; M43-Y68 HydrophobicContact CB-CD1 4.34Å; M43-Y68 HydrophobicContact CB-CE1 4.47Å; M43-Y68 HydrophobicContact CG-CD1 4.19Å; M43-Y68 HydrophobicContact CG-CE1 3.97Å; M43-Y68 HydrophobicContact SD-CE1 4.03Å; M43-M82 WeakPolarHBondContact O-CA 3.48Å; M43-E83 PolarHBondContact N-O 2.78Å; M43-E83 PolarHBondContact O-N 3.02Å; M43-I85 HydrophobicContact CB-CD1 3.88Å; M43-I85 HydrophobicContact CB-CG1 4.27Å; M43-I85 HydrophobicContact CE-CD1 3.95Å; M43-I85 HydrophobicContact CG-CD1 4.37Å; M43-I85 HydrophobicContact SD-CD1 3.67Å
44V95.6Very high76.6Confident16 Ų1670 Ų7010%0.09738%0.382CS..EExtended strand (participates in β ladder)trans-116.5122170.3176.20000107.8P66 T67 Y69 M82V44-P66 CarbonylContact O-C 3.57Å; V44-P66 WeakPolarHBondContact O-CA 3.47Å; V44-T67 PolarHBondContact N-O 2.86Å; V44-T67 PolarHBondContact O-N 3.32Å; V44-Y69 HydrophobicContact CB-CE2 4.24Å; V44-Y69 HydrophobicContact CG2-CD2 4.35Å; V44-Y69 HydrophobicContact CG2-CE2 3.66Å; V44-M82 HydrophobicContact CG2-CB 3.54Å; V44-M82 HydrophobicContact CG2-CG 3.94Å
45V87.5Confident74.2Confident91 Ų9173 Ų7355%0.55240%0.397SS*.PPolyproline II helixtrans-91.6119.8173.2-176.30000107.8M43 P66M43-V45 HydrophobicContact CE-CG2 4.15Å; V45-P66 HydrophobicContact CG2-CB 4.49Å
46E76.6Confident71.6Confident86 Ų8679.7 Ų79.740%0.40243%0.431SS..PPolyproline II helixtrans-67134.5171-61.9-161.7133.500109.5T52E46-T52 PolarHBondContact OE1-OG1 3.03Å; E46-T52 VanDerWaalsContact OE1-OG1 3.13Å
47R61.6Low68.8Low171 Ų17183.8 Ų83.865%0.64545%0.453SS*.PPolyproline II helixtrans-88.8139.3172.9-66.2-177.2-178.5176.83108.8D49 G50R47-D49 WeakPolarHBondContact CB-OD1 3.43Å; R47-D49 PolarHBondContact O-N 3.11Å; R47-G50 PolarHBondContact O-N 2.88Å
48D56.4Low65.7Low173 Ų17387.6 Ų87.693%0.92549%0.493SS*.THydrogen-bonded Turntrans-59.7-9.7179.3-74.6-31.7000114.4G50D48-G50 PolarHBondContact O-N 3.05Å
49D51.4Low62.7Low115 Ų11593 Ų9362%0.61552%0.521SS*.THydrogen-bonded Turntrans-81.211.6177.558.3-5.4000114.3R47 S51R47-D49 WeakPolarHBondContact CB-OD1 3.43Å; R47-D49 PolarHBondContact O-N 3.11Å; D49-S51 PolarHBondContact O-N 2.81Å
50G47.2Very low59.6Low68 Ų68103 Ų10370%0.70157%0.565SS**  trans70.813.5164.300000114.7R47 D48 T52R47-G50 PolarHBondContact O-N 2.88Å; D48-G50 PolarHBondContact O-N 3.05Å; G50-T52 PolarHBondContact O-N 3.2Å
51S41.1Very low56.7Low89 Ų89105.8 Ų105.862%0.62260%0.595SS**  trans-95.572.9173.468.70000111.4D49D49-S51 PolarHBondContact O-N 2.81Å
52T46.5Very low54.3Low75 Ų75114.5 Ų114.546%0.4663%0.633SS.*SBendtrans-131141.415526.30000110.1E46 G50E46-T52 PolarHBondContact OE1-OG1 3.03Å; E46-T52 VanDerWaalsContact OE1-OG1 3.13Å; G50-T52 PolarHBondContact O-N 3.2Å
53L38.5Very low51.9Low162 Ų162123.6 Ų123.685%0.84868%0.675SS**  trans-59.9136.9-168.8-83.5122.6000112.8E55L53-E55 PolarHBondContact O-N 2.65Å
54M34.9Very low50.3Low181 Ų181125 Ų12589%0.89270%0.7SS**  trans-35.2113.6175.7-60.2177.5-168.800113.7I56M54-I56 PolarHBondContact O-N 3.32Å
55E43.2Very low49.7Very low161 Ų161125.9 Ų125.975%0.75271%0.712SS**  trans-72.9111.6158.8-72.8-166.6151.600108.9L53 D57L53-E55 PolarHBondContact O-N 2.65Å; E55-D57 PolarHBondContact O-N 3.44Å; E55-D57 VanDerWaalsContact O-N 3.15Å
56I41.8Very low49.9Very low156 Ų156124.1 Ų124.180%0.870%0.702SS**  trans-81.178.5159.4-56174.8000105.9M54M54-I56 PolarHBondContact O-N 3.32Å
57D38.4Very low50.8Low139 Ų139122.7 Ų122.774%0.74370%0.699SS**SBendtrans172.488146.6-88.5-21.1000110.5E55 D59E55-D57 PolarHBondContact O-N 3.44Å; E55-D57 VanDerWaalsContact O-N 3.15Å; D57-D59 PolarHBondContact O-N 3.36Å
58G31.6Very low52.5Low82 Ų82117.5 Ų117.585%0.84568%0.68SS**  69.1-5.2122.800000122.5
59D34.4Very low54.4Low132 Ų132112.2 Ų112.271%0.70665%0.648SS**  trans-11187.7-178.4-133.87.4000113.1D57 G61D57-D59 PolarHBondContact O-N 3.36Å; D59-G61 PolarHBondContact O-N 3.38Å
60K33.1Very low56.7Low211 Ų211107.3 Ų107.392%0.91762%0.621SS**  trans-71.7109.8175.4-68179176.4178.60109.9
61G38.3Very low59Low75 Ų75105.8 Ų105.877%0.77360%0.597SS**  trans141.618.8157.600000119.3D59 Q63D59-G61 PolarHBondContact O-N 3.38Å; G61-Q63 PolarHBondContact O-N 2.87Å
62K46.8Very low61.6Low183 Ų183103.4 Ų103.480%0.79658%0.579SS**  trans-75.4114.2170.9-72.8-178.4-176.9168.10110G64K62-G64 PolarHBondContact O-N 3.19Å
63Q48.1Very low63.9Low191 Ų191106.3 Ų106.389%0.89359%0.591SS**  trans-52.8132166.8-78.3174-18.500109.1G61 G65G61-Q63 PolarHBondContact O-N 2.87Å; Q63-G65 PolarHBondContact O-N 3.21Å
64G63.6Low66.7Low69 Ų6999.9 Ų99.971%0.71156%0.562SS**SBendtrans-52.1109.1-173.400000112.7K62K62-G64 PolarHBondContact O-N 3.19Å
65G82.3Confident69.7Low34 Ų3491.2 Ų91.235%0.35152%0.519SS..  trans-141.9168178.300000110.4Q63Q63-G65 PolarHBondContact O-N 3.21Å
66P91.7Very high72.2Confident54 Ų5488.7 Ų88.735%0.35150%0.503SS..PPolyproline II helixtrans-62.9140.3178.326.5-33.8000111.3M43 V44 V45 Y68M43-P66 HydrophobicContact CG-CB 3.79Å; M43-P66 HydrophobicContact SD-CB 4.03Å; V44-P66 CarbonylContact O-C 3.57Å; V44-P66 WeakPolarHBondContact O-CA 3.47Å; V45-P66 HydrophobicContact CG2-CB 4.49Å; P66-Y68 HydrophobicContact CB-CE1 4.36Å; P66-Y68 HydrophobicContact CB-CE2 4.49Å; P66-Y68 HydrophobicContact CG-CE1 4.34Å; P66-Y68 HydrophobicContact CG-CE2 3.99Å; P66-Y68 WeakPolarHBondContact CG-OH 3.33Å
67T95.5Very high74.8Confident55 Ų5584.4 Ų84.434%0.33748%0.484SS..EExtended strand (participates in β ladder)trans-91.6127.7168.4-64.60000109.7M43 V44 Y69M43-T67 WeakPolarHBondContact CA-O 3.23Å; V44-T67 PolarHBondContact N-O 2.86Å; V44-T67 PolarHBondContact O-N 3.32Å; T67-Y69 HydrophobicContact CG2-CE1 4.35Å; T67-Y69 HydrophobicContact CG2-CE2 3.9Å
68Y97.2Very high77.6Confident63 Ų6379.4 Ų79.425%0.24746%0.459CS..EExtended strand (participates in β ladder)trans-102.5135179.8-58.6-73.2000112.5I41 G42 M43 P66 A101I41-Y68 HydrophobicContact CD1-CD1 3.57Å; I41-Y68 HydrophobicContact CD1-CE1 3.99Å; I41-Y68 HydrophobicContact CD1-CG 4.43Å; G42-Y68 CarbonylContact O-C 3.58Å; G42-Y68 WeakPolarHBondContact O-CA 3.41Å; M43-Y68 HydrophobicContact CB-CD1 4.34Å; M43-Y68 HydrophobicContact CB-CE1 4.47Å; M43-Y68 HydrophobicContact CG-CD1 4.19Å; M43-Y68 HydrophobicContact CG-CE1 3.97Å; M43-Y68 HydrophobicContact SD-CE1 4.03Å; P66-Y68 HydrophobicContact CB-CE1 4.36Å; P66-Y68 HydrophobicContact CB-CE2 4.49Å; P66-Y68 HydrophobicContact CG-CE1 4.34Å; P66-Y68 HydrophobicContact CG-CE2 3.99Å; P66-Y68 WeakPolarHBondContact CG-OH 3.33Å; Y68-A101 HydrophobicContact CD1-CB 4.35Å; Y68-A101 HydrophobicContact CD2-CB 3.46Å; Y68-A101 VanDerWaalsContact CD2-CB 3.46Å; Y68-A101 HydrophobicContact CE2-CB 3.76Å; Y68-A101 HydrophobicContact CG-CB 3.77Å
69Y97.7Very high80.6Confident62 Ų6278.2 Ų78.224%0.24343%0.429CS..EExtended strand (participates in β ladder)trans-115.399.6174.5-60.7-81.1000109G42 V44 T67 R79 M82G42-Y69 PolarHBondContact N-O 3.13Å; G42-Y69 PolarHBondContact O-N 2.9Å; V44-Y69 HydrophobicContact CB-CE2 4.24Å; V44-Y69 HydrophobicContact CG2-CD2 4.35Å; V44-Y69 HydrophobicContact CG2-CE2 3.66Å; T67-Y69 HydrophobicContact CG2-CE1 4.35Å; T67-Y69 HydrophobicContact CG2-CE2 3.9Å; Y69-R79 VanDerWaalsContact CD1-CZ 3.42Å; Y69-R79 VanDerWaalsContact CZ-CD 3.46Å; Y69-M82 HydrophobicContact CD2-CG 4.24Å; Y69-M82 HydrophobicContact CD2-SD 3.51Å; Y69-M82 VanDerWaalsContact CD2-SD 3.51Å; Y69-M82 HydrophobicContact CE2-SD 4.19Å; Y69-M82 HydrophobicContact CG-SD 3.95Å
70I97.9Very high83.5Confident12 Ų1276.9 Ų76.96%0.06242%0.418CS..  trans-111.8150.3-170.1-56.2171.3000109.3F37 I41 A74 A101 I102 H105F37-I70 HydrophobicContact CD2-CG2 4.18Å; F37-I70 HydrophobicContact CE2-CG2 3.52Å; F37-I70 HydrophobicContact CZ-CG2 4.2Å; I41-I70 HydrophobicContact CB-CG1 4.1Å; I41-I70 HydrophobicContact CG2-CB 4.42Å; I41-I70 HydrophobicContact CG2-CD1 4.48Å; I41-I70 HydrophobicContact CG2-CG1 3.78Å; I41-I70 HydrophobicContact CG2-CG2 4.26Å; I70-A74 VanDerWaalsContact O-CB 3.26Å; I70-A74 WeakPolarHBondContact O-CB 3.46Å; I70-A101 HydrophobicContact CD1-CB 3.84Å; I70-A101 WeakPolarHBondContact CD1-O 3.39Å; I70-I102 HydrophobicContact CD1-CG1 4.42Å; I70-H105 HydrophobicContact CB-CB 4.1Å; I70-H105 HydrophobicContact CD1-CB 3.83Å; I70-H105 HydrophobicContact CG2-CB 3.86Å; I70-H105 PolarHBondContact O-CE1 2.75Å
71D96.5Very high86.4Confident35 Ų3570.8 Ų70.819%0.18740%0.396CS..SBendtrans73.6154.3-171.4-166.49.8000113.2F37 N73 A74 L75 H110F37-D71 HydrophobicContact CB-CB 4.36Å; F37-D71 VanDerWaalsContact CB-OD1 3.31Å; F37-D71 WeakPolarHBondContact CB-OD1 3.26Å; F37-D71 HydrophobicContact CD2-CB 4.42Å; F37-D71 HydrophobicContact CG-CB 4.45Å; D71-N73 VanDerWaalsContact C-N 3.27Å; D71-N73 PolarHBondContact O-N 3.15Å; D71-A74 PolarHBondContact O-N 3.16Å; D71-A74 VanDerWaalsContact O-N 3.09Å; D71-L75 VanDerWaalsContact O-CB 3.25Å; D71-L75 WeakPolarHBondContact O-CB 3.25Å; D71-L75 PolarHBondContact O-N 3.08Å; D71-H110 IonicContact OD2-CE1 3.49Å; D71-H110 IonicContact OD2-NE2 2.8Å
72T95.9Very high89.2Confident39 Ų3967.2 Ų67.224%0.23936%0.359CS..Hα-helixtrans-47.5-46.3-172.5-54.80000112.5P38 R76P38-T72 WeakPolarHBondContact CD-OG1 3.47Å; T72-R76 HydrophobicContact CG2-CG 4.37Å; T72-R76 VanDerWaalsContact O-CB 3.27Å; T72-R76 WeakPolarHBondContact O-CB 3.45Å; T72-R76 VanDerWaalsContact O-CG 3.26Å; T72-R76 WeakPolarHBondContact O-CG 3.31Å; T72-R76 PolarHBondContact O-N 3.4Å
73N94.6Very high91.6Very high136 Ų13662.3 Ų62.373%0.72734%0.339SS*.Hα-helixtrans-71.7-34.4-175.4-69.4-27.7000112.7D71 V77D71-N73 VanDerWaalsContact C-N 3.27Å; D71-N73 PolarHBondContact O-N 3.15Å; N73-V77 VanDerWaalsContact O-CG2 3.31Å; N73-V77 WeakPolarHBondContact O-CG2 3.37Å
74A96.8Very high94Very high27 Ų2754.1 Ų54.122%0.22330%0.304CS..Hα-helixtrans-78.7-47.8175.100000110.2I70 D71 R76 V77 R79I70-A74 VanDerWaalsContact O-CB 3.26Å; I70-A74 WeakPolarHBondContact O-CB 3.46Å; D71-A74 PolarHBondContact O-N 3.16Å; D71-A74 VanDerWaalsContact O-N 3.09Å; A74-R76 PolarHBondContact O-N 3.15Å; A74-V77 PolarHBondContact O-N 3.37Å; A74-R79 PolarHBondContact O-NH1 2.92Å; A74-R79 PolarHBondContact O-NH2 2.96Å
75L97.4Very high95.6Very high0 Ų052.9 Ų52.90%028%0.28CS..Hα-helixtrans-62.2-38.1-175176.359.6000113.3P38 A40 D71 V77 W250 Y253P38-L75 HydrophobicContact CB-CD2 4.23Å; A40-L75 HydrophobicContact CB-CD2 4.27Å; A40-L75 VanDerWaalsContact O-CD2 3.29Å; A40-L75 WeakPolarHBondContact O-CD2 3.39Å; D71-L75 VanDerWaalsContact O-CB 3.25Å; D71-L75 WeakPolarHBondContact O-CB 3.25Å; D71-L75 PolarHBondContact O-N 3.08Å; L75-V77 VanDerWaalsContact C-N 3.3Å; L75-V77 PolarHBondContact O-N 2.94Å; L75-W250 PolarHBondContact O-NE1 3.32Å; L75-Y253 HydrophobicContact CD1-CE1 4.33Å; L75-Y253 HydrophobicContact CD2-CD1 4.45Å; L75-Y253 HydrophobicContact CD2-CE1 3.56Å; L75-Y253 HydrophobicContact CD2-CE2 4.19Å; L75-Y253 VanDerWaalsContact CD2-CZ 3.41Å; L75-Y253 WeakPolarHBondContact CD2-OH 3.29Å; L75-Y253 HydrophobicContact CG-CD1 4.37Å; L75-Y253 HydrophobicContact CG-CE1 3.7Å
76R96.6Very high96.3Very high108 Ų10853.7 Ų53.741%0.40828%0.28SS..THydrogen-bonded Turntrans-84.42.1-174.1-65.3-175.5178.6-173.72.8114.8T72 A74 M254T72-R76 HydrophobicContact CG2-CG 4.37Å; T72-R76 VanDerWaalsContact O-CB 3.27Å; T72-R76 WeakPolarHBondContact O-CB 3.45Å; T72-R76 VanDerWaalsContact O-CG 3.26Å; T72-R76 WeakPolarHBondContact O-CG 3.31Å; T72-R76 PolarHBondContact O-N 3.4Å; A74-R76 PolarHBondContact O-N 3.15Å; R76-M254 HydrophobicContact CB-CE 4.12Å; R76-M254 HydrophobicContact CB-SD 4.13Å; R76-M254 HydrophobicContact CG-CE 4.13Å; R76-M254 HydrophobicContact CG-SD 3.92Å
77V96.3Very high96.6Very high66 Ų6651.1 Ų51.140%0.426%0.264SS..SBendtrans-85.3123.7174.61730000109.5N73 A74 L75 R79 M82N73-V77 VanDerWaalsContact O-CG2 3.31Å; N73-V77 WeakPolarHBondContact O-CG2 3.37Å; A74-V77 PolarHBondContact O-N 3.37Å; L75-V77 VanDerWaalsContact C-N 3.3Å; L75-V77 PolarHBondContact O-N 2.94Å; V77-R79 PolarHBondContact O-N 3.49Å; V77-R79 PolarHBondContact O-NH1 3.35Å; V77-M82 WeakPolarHBondContact O-CE 3.43Å
78P96.3Very high96.7Very high33 Ų3349.5 Ų49.521%0.21425%0.253CS..  trans-64.3127.4178.726.7-33.7000110.2Y221 L243 P244 V246 W250P78-Y221 HydrophobicContact CB-CD2 4.08Å; P78-Y221 HydrophobicContact CG-CD2 4.34Å; P78-L243 HydrophobicContact CG-CD2 4.17Å; P78-P244 HydrophobicContact CB-CG 4.04Å; P78-P244 WeakPolarHBondContact O-CG 3.32Å; P78-V246 HydrophobicContact CB-CG1 3.67Å; P78-W250 VanDerWaalsContact CA-CH2 3.47Å; P78-W250 HydrophobicContact CB-CH2 3.61Å; P78-W250 HydrophobicContact CB-CZ2 4.33Å; P78-W250 HydrophobicContact CB-CZ3 3.94Å; P78-W250 HydrophobicContact CG-CH2 4.41Å
79R96Very high96.6Very high57 Ų5752.7 Ų52.722%0.21527%0.268CS..  trans-133.8150.4176-65.5-176.2-174.2780.4110Y69 A74 V77 M82Y69-R79 VanDerWaalsContact CD1-CZ 3.42Å; Y69-R79 VanDerWaalsContact CZ-CD 3.46Å; A74-R79 PolarHBondContact O-NH1 2.92Å; A74-R79 PolarHBondContact O-NH2 2.96Å; V77-R79 PolarHBondContact O-N 3.49Å; V77-R79 PolarHBondContact O-NH1 3.35Å; R79-M82 HydrophobicContact CB-CB 3.9Å; R79-M82 HydrophobicContact CB-CE 4Å; R79-M82 HydrophobicContact CB-SD 4.2Å; R79-M82 HydrophobicContact CG-CE 4.24Å; R79-M82 HydrophobicContact CG-SD 4.37Å
80E94.3Very high96.3Very high105 Ų10553 Ų5349%0.49127%0.274SS..THydrogen-bonded Turntrans-66.7141.5173.9-159.1179.7166.400110.1M82 P244E80-M82 PolarHBondContact O-N 3.41Å; E80-P244 HydrophobicContact CB-CB 4.3Å
81N94.2Very high96.1Very high83 Ų8353.6 Ų53.644%0.44428%0.283SS..THydrogen-bonded Turntrans5711175.9-55.4-46.1000116.1E83N81-E83 PolarHBondContact O-N 2.59Å
82M97.1Very high96.1Very high0 Ų053.3 Ų53.30%028%0.281CS..PPolyproline II helixtrans-81.6116.5177.6-175.3175.261.200110.3M43 V44 Y69 V77 R79 E80 T247 W250M43-M82 WeakPolarHBondContact O-CA 3.48Å; V44-M82 HydrophobicContact CG2-CB 3.54Å; V44-M82 HydrophobicContact CG2-CG 3.94Å; Y69-M82 HydrophobicContact CD2-CG 4.24Å; Y69-M82 HydrophobicContact CD2-SD 3.51Å; Y69-M82 VanDerWaalsContact CD2-SD 3.51Å; Y69-M82 HydrophobicContact CE2-SD 4.19Å; Y69-M82 HydrophobicContact CG-SD 3.95Å; V77-M82 WeakPolarHBondContact O-CE 3.43Å; R79-M82 HydrophobicContact CB-CB 3.9Å; R79-M82 HydrophobicContact CB-CE 4Å; R79-M82 HydrophobicContact CB-SD 4.2Å; R79-M82 HydrophobicContact CG-CE 4.24Å; R79-M82 HydrophobicContact CG-SD 4.37Å; E80-M82 PolarHBondContact O-N 3.41Å; M82-T247 WeakPolarHBondContact O-CB 3.15Å; M82-T247 WeakPolarHBondContact O-CG2 3.28Å; M82-T247 PolarHBondContact O-OG1 2.69Å; M82-W250 HydrophobicContact CE-CD2 4.22Å; M82-W250 HydrophobicContact CE-CG 4.01Å; M82-W250 HydrophobicContact CE-CZ2 4.39Å; M82-W250 WeakPolarHBondContact O-CB 3.49Å
83E97.7Very high96.2Very high80 Ų8052.1 Ų52.137%0.37427%0.274SS..EExtended strand (participates in β ladder)trans-87.2142.1172.1-63.6-69.2151.700110G42 M43 N81 I85 T247 S249G42-E83 CarbonylContact C-O 3.59Å; G42-E83 WeakPolarHBondContact CA-O 3.15Å; M43-E83 PolarHBondContact N-O 2.78Å; M43-E83 PolarHBondContact O-N 3.02Å; N81-E83 PolarHBondContact O-N 2.59Å; E83-I85 HydrophobicContact CB-CG2 4.2Å; E83-T247 HydrophobicContact CG-CG2 4.32Å; E83-T247 VanDerWaalsContact OE1-CB 3.3Å; E83-T247 WeakPolarHBondContact OE1-CB 3.47Å; E83-T247 WeakPolarHBondContact OE1-CG2 3.43Å; E83-S249 VanDerWaalsContact CA-OG 3.28Å; E83-S249 WeakPolarHBondContact CA-OG 3.41Å; E83-S249 WeakPolarHBondContact OE2-CB 3.28Å; E83-S249 PolarHBondContact OE2-OG 2.86Å
84A98Very high96.3Very high19 Ų1950.2 Ų50.216%0.15726%0.26CS..EExtended strand (participates in β ladder)trans-95.5116.3168.200000109.3I41 S249 W250 Y253I41-A84 WeakPolarHBondContact O-CA 3.3Å; A84-S249 PolarHBondContact N-OG 2.81Å; A84-W250 HydrophobicContact CB-CB 4.23Å; A84-Y253 HydrophobicContact CB-CG 4.11Å
85I97.3Very high96.3Very high43 Ų4351.3 Ų51.322%0.22126%0.262CS..EExtended strand (participates in β ladder)trans-126.9162.2-175.963.4170.4000110.8A40 I41 M43 E83 S98A40-I85 CarbonylContact C-O 3.53Å; A40-I85 WeakPolarHBondContact CA-O 3.27Å; I41-I85 HydrophobicContact CD1-CD1 4.38Å; I41-I85 HydrophobicContact CD1-CG1 4.35Å; I41-I85 HydrophobicContact CG1-CD1 4.24Å; I41-I85 HydrophobicContact CG1-CG1 3.69Å; I41-I85 PolarHBondContact N-O 2.73Å; I41-I85 PolarHBondContact O-N 3.48Å; M43-I85 HydrophobicContact CB-CD1 3.88Å; M43-I85 HydrophobicContact CB-CG1 4.27Å; M43-I85 HydrophobicContact CE-CD1 3.95Å; M43-I85 HydrophobicContact CG-CD1 4.37Å; M43-I85 HydrophobicContact SD-CD1 3.67Å; E83-I85 HydrophobicContact CB-CG2 4.2Å; I85-S98 WeakPolarHBondContact CD1-OG 3.34Å
86S97.3Very high96.4Very high50 Ų5052.9 Ų52.935%0.3527%0.268SS..  trans-125.2134.6170.1176.40000108.7L88S86-L88 PolarHBondContact O-N 3.5Å; S86-L88 PolarHBondContact OG-N 2.98Å
87P97.6Very high96.4Very high1 Ų153.1 Ų53.11%0.00628%0.278CS..SBendtrans-71.8-13.3176.127.9-33000113.4T39 E94 D95 F99 I102T39-P87 HydrophobicContact CG2-CG 4.24Å; T39-P87 WeakPolarHBondContact O-CD 3.45Å; P87-E94 PolarHBondContact O-N 3.43Å; P87-D95 HydrophobicContact CB-CB 4.37Å; P87-D95 VanDerWaalsContact CB-O 3.29Å; P87-D95 WeakPolarHBondContact CB-O 3.33Å; P87-D95 PolarHBondContact O-N 2.6Å; P87-F99 HydrophobicContact CB-CB 3.98Å; P87-F99 HydrophobicContact CG-CB 4.49Å; P87-I102 HydrophobicContact CG-CD1 3.61Å
88L97.7Very high96.4Very high20 Ų2050 Ų5011%0.10526%0.258CS..EExtended strand (participates in β ladder)trans-101138.3-176.4-63.1179.9000112.2I18 G19 T39 S86 M92 V93I18-L88 HydrophobicContact CG2-CD1 4.18Å; I18-L88 WeakPolarHBondContact O-CD1 3.27Å; G19-L88 VanDerWaalsContact C-CD1 3.45Å; G19-L88 VanDerWaalsContact O-CD1 3.26Å; G19-L88 WeakPolarHBondContact O-CD1 3.49Å; T39-L88 HydrophobicContact CG2-CD1 3.91Å; T39-L88 HydrophobicContact CG2-CG 4.19Å; S86-L88 PolarHBondContact O-N 3.5Å; S86-L88 PolarHBondContact OG-N 2.98Å; L88-M92 CarbonylContact C-O 3.4Å; L88-M92 VanDerWaalsContact CA-O 3.28Å; L88-M92 WeakPolarHBondContact CA-O 3.5Å; L88-V93 HydrophobicContact CD2-CB 4.32Å; L88-V93 HydrophobicContact CD2-CG2 3.71Å
89K95.6Very high96.5Very high130 Ų13048.6 Ų48.657%0.56525%0.249SC*.EExtended strand (participates in β ladder)trans-128128.9165.7-168.5177.4-179.9176.90109.2G91 M92 E94K89-G91 PolarHBondContact O-N 3.25Å; K89-G91 VanDerWaalsContact O-N 3.14Å; K89-M92 PolarHBondContact N-O 3.08Å; K89-M92 PolarHBondContact O-N 2.68Å; K89-E94 HydrophobicContact CB-CG 3.41Å; K89-E94 VanDerWaalsContact CB-CG 3.41Å; K89-E94 HydrophobicContact CD-CG 4.26Å; K89-E94 HydrophobicContact CG-CG 4.47Å
90N91.5Very high96.6Very high70 Ų7048.4 Ų48.437%0.37425%0.251SS..THydrogen-bonded Turntrans51.537.2-179.3-55.2-19.8000113.6M92 W127 H176N90-M92 VanDerWaalsContact C-N 3.31Å; N90-M92 PolarHBondContact O-N 2.87Å; N90-W127 PolarHBondContact O-NE1 3Å; N90-H176 PolarHBondContact OD1-CE1 2.66Å
91G93Very high96.8Very high23 Ų2344 Ų4424%0.23723%0.232CC..THydrogen-bonded Turntrans75.97.5-178.300000115.8K89K89-G91 PolarHBondContact O-N 3.25Å; K89-G91 VanDerWaalsContact O-N 3.14Å
92M96.6Very high97Very high29 Ų2940 Ų4014%0.14321%0.211CC..EExtended strand (participates in β ladder)trans-118.3147.5178.5-61.5-179-67.700111.2L88 K89 N90 E94 T129 K132L88-M92 CarbonylContact C-O 3.4Å; L88-M92 VanDerWaalsContact CA-O 3.28Å; L88-M92 WeakPolarHBondContact CA-O 3.5Å; K89-M92 PolarHBondContact N-O 3.08Å; K89-M92 PolarHBondContact O-N 2.68Å; N90-M92 VanDerWaalsContact C-N 3.31Å; N90-M92 PolarHBondContact O-N 2.87Å; M92-E94 PolarHBondContact O-N 3.46Å; M92-T129 HydrophobicContact SD-CG2 4.3Å; M92-K132 HydrophobicContact CB-CD 4.07Å; M92-K132 HydrophobicContact SD-CD 4.37Å
93V98Very high97Very high15 Ų1540 Ų409%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-67124.1173.7-173.10000110L88 W96 F99 K132L88-V93 HydrophobicContact CD2-CB 4.32Å; L88-V93 HydrophobicContact CD2-CG2 3.71Å; V93-W96 HydrophobicContact CB-CH2 4.22Å; V93-W96 HydrophobicContact CB-CZ2 4Å; V93-W96 HydrophobicContact CG1-CD2 3.7Å; V93-W96 HydrophobicContact CG1-CE3 3.96Å; V93-W96 HydrophobicContact CG1-CG 4.11Å; V93-W96 HydrophobicContact CG1-CH2 4.33Å; V93-W96 HydrophobicContact CG1-CZ2 4.09Å; V93-W96 HydrophobicContact CG1-CZ3 4.26Å; V93-F99 HydrophobicContact CG1-CB 3.73Å; V93-F99 HydrophobicContact CG1-CD1 4.39Å; V93-F99 HydrophobicContact CG1-CD2 4.09Å; V93-F99 HydrophobicContact CG1-CG 3.83Å; V93-F99 HydrophobicContact CG2-CD1 4.44Å; V93-F99 HydrophobicContact CG2-CD2 3.58Å; V93-F99 HydrophobicContact CG2-CE1 4.44Å; V93-F99 HydrophobicContact CG2-CE2 3.58Å; V93-F99 HydrophobicContact CG2-CG 4.02Å; V93-F99 HydrophobicContact CG2-CZ 4.04Å; V93-K132 WeakPolarHBondContact O-CD 3.37Å; V93-K132 VanDerWaalsContact O-CE 3.29Å; V93-K132 WeakPolarHBondContact O-CE 3.34Å; V93-K132 PolarHBondContact O-NZ 2.67Å
94E97.4Very high97Very high96 Ų9639.2 Ų39.245%0.44921%0.209SC..  trans-111.3-43.7171-63.6-61.7167.600111.2P87 K89 M92 K132P87-E94 PolarHBondContact O-N 3.43Å; K89-E94 HydrophobicContact CB-CG 3.41Å; K89-E94 VanDerWaalsContact CB-CG 3.41Å; K89-E94 HydrophobicContact CD-CG 4.26Å; K89-E94 HydrophobicContact CG-CG 4.47Å; M92-E94 PolarHBondContact O-N 3.46Å; E94-K132 IonicContact OE1-NZ 3.14Å; E94-K132 PolarHBondContact OE1-NZ 3.47Å; E94-K132 IonicContact OE2-NZ 2.61Å; E94-K132 PolarHBondContact OE2-NZ 3.3Å
95D97.6Very high97Very high50 Ų5040.1 Ų40.127%0.26721%0.21SC..  trans-101106.6176.4179-5.2000109.4P87 D97 S98 F99P87-D95 HydrophobicContact CB-CB 4.37Å; P87-D95 VanDerWaalsContact CB-O 3.29Å; P87-D95 WeakPolarHBondContact CB-O 3.33Å; P87-D95 PolarHBondContact O-N 2.6Å; D95-D97 PolarHBondContact OD1-N 3.27Å; D95-D97 VanDerWaalsContact OD1-N 3.11Å; D95-S98 VanDerWaalsContact CG-CB 3.44Å; D95-S98 VanDerWaalsContact CG-OG 3.29Å; D95-S98 PolarHBondContact OD1-N 3.03Å; D95-S98 VanDerWaalsContact OD1-N 3.09Å; D95-S98 WeakPolarHBondContact OD2-CB 3.34Å; D95-S98 PolarHBondContact OD2-OG 2.89Å; D95-F99 VanDerWaalsContact O-CB 3.29Å; D95-F99 WeakPolarHBondContact O-CB 3.49Å; D95-F99 PolarHBondContact O-N 3.39Å
96W97.8Very high97Very high32 Ų3238.1 Ų38.112%0.12120%0.2CC..Hα-helixtrans-80.7-27.7-175.4-71.885.2000113.1V93 F99 Q100 K132 K135 L136 L139V93-W96 HydrophobicContact CB-CH2 4.22Å; V93-W96 HydrophobicContact CB-CZ2 4Å; V93-W96 HydrophobicContact CG1-CD2 3.7Å; V93-W96 HydrophobicContact CG1-CE3 3.96Å; V93-W96 HydrophobicContact CG1-CG 4.11Å; V93-W96 HydrophobicContact CG1-CH2 4.33Å; V93-W96 HydrophobicContact CG1-CZ2 4.09Å; V93-W96 HydrophobicContact CG1-CZ3 4.26Å; W96-F99 HydrophobicContact CE3-CD1 4.38Å; W96-F99 HydrophobicContact CZ3-CD1 4.48Å; W96-F99 PolarHBondContact O-N 3.05Å; W96-Q100 WeakPolarHBondContact O-CB 3.39Å; W96-Q100 PolarHBondContact O-N 2.78Å; W96-K132 WeakPolarHBondContact CH2-O 3.49Å; W96-K132 HydrophobicContact CZ2-CB 4.14Å; W96-K132 HydrophobicContact CZ2-CG 4.29Å; W96-K135 HydrophobicContact CD2-CD 3.73Å; W96-K135 VanDerWaalsContact CD2-CE 3.47Å; W96-K135 HydrophobicContact CD2-CG 4.09Å; W96-K135 VanDerWaalsContact CE2-CD 3.49Å; W96-K135 HydrophobicContact CE3-CD 4.3Å; W96-K135 HydrophobicContact CE3-CG 4.16Å; W96-K135 HydrophobicContact CG-CD 4.09Å; W96-K135 VanDerWaalsContact CG-CE 3.41Å; W96-K135 HydrophobicContact CH2-CB 3.97Å; W96-K135 HydrophobicContact CH2-CD 4.4Å; W96-K135 HydrophobicContact CH2-CG 3.97Å; W96-K135 HydrophobicContact CZ2-CB 3.94Å; W96-K135 HydrophobicContact CZ2-CD 3.85Å; W96-K135 HydrophobicContact CZ2-CG 3.9Å; W96-K135 HydrophobicContact CZ3-CG 4.11Å; W96-L136 HydrophobicContact CH2-CB 3.88Å; W96-L136 HydrophobicContact CZ3-CB 4.07Å; W96-L136 HydrophobicContact CZ3-CD1 4.24Å; W96-L139 HydrophobicContact CE3-CD2 4.25Å; W96-L139 HydrophobicContact CZ3-CD2 4.35Å
97D96.8Very high97Very high113 Ų11336.4 Ų36.460%0.60419%0.186SC*.Hα-helixtrans-72.5-45.8-179.6-60.4-30000109.1D95 F99 Q100 A101D95-D97 PolarHBondContact OD1-N 3.27Å; D95-D97 VanDerWaalsContact OD1-N 3.11Å; D97-F99 VanDerWaalsContact C-N 3.33Å; D97-F99 PolarHBondContact O-N 3.03Å; D97-Q100 PolarHBondContact O-N 2.87Å; D97-A101 WeakPolarHBondContact O-CB 3.43Å; D97-A101 PolarHBondContact O-N 2.86Å
98S97.4Very high97Very high0 Ų044.2 Ų44.20%022%0.22CC..Hα-helixtrans-62.9-38.5172.2-69.80000112.4I85 D95 A101 I102I85-S98 WeakPolarHBondContact CD1-OG 3.34Å; D95-S98 VanDerWaalsContact CG-CB 3.44Å; D95-S98 VanDerWaalsContact CG-OG 3.29Å; D95-S98 PolarHBondContact OD1-N 3.03Å; D95-S98 VanDerWaalsContact OD1-N 3.09Å; D95-S98 WeakPolarHBondContact OD2-CB 3.34Å; D95-S98 PolarHBondContact OD2-OG 2.89Å; S98-A101 PolarHBondContact O-N 3.03Å; S98-I102 WeakPolarHBondContact O-CG1 3.42Å; S98-I102 PolarHBondContact O-N 2.82Å; S98-I102 VanDerWaalsContact O-N 3.13Å
99F98.3Very high96.9Very high4 Ų447.8 Ų47.82%0.01824%0.237CC..Hα-helixtrans-65.4-44176.3-178.1-96.8000112.1I18 P87 V93 D95 W96 D97 A101 I102 L103 M122 L136 L139I18-F99 HydrophobicContact CB-CE2 4.33Å; I18-F99 HydrophobicContact CD1-CE2 3.53Å; I18-F99 HydrophobicContact CD1-CZ 3.65Å; I18-F99 HydrophobicContact CG2-CE2 4Å; P87-F99 HydrophobicContact CB-CB 3.98Å; P87-F99 HydrophobicContact CG-CB 4.49Å; V93-F99 HydrophobicContact CG1-CB 3.73Å; V93-F99 HydrophobicContact CG1-CD1 4.39Å; V93-F99 HydrophobicContact CG1-CD2 4.09Å; V93-F99 HydrophobicContact CG1-CG 3.83Å; V93-F99 HydrophobicContact CG2-CD1 4.44Å; V93-F99 HydrophobicContact CG2-CD2 3.58Å; V93-F99 HydrophobicContact CG2-CE1 4.44Å; V93-F99 HydrophobicContact CG2-CE2 3.58Å; V93-F99 HydrophobicContact CG2-CG 4.02Å; V93-F99 HydrophobicContact CG2-CZ 4.04Å; D95-F99 VanDerWaalsContact O-CB 3.29Å; D95-F99 WeakPolarHBondContact O-CB 3.49Å; D95-F99 PolarHBondContact O-N 3.39Å; W96-F99 HydrophobicContact CE3-CD1 4.38Å; W96-F99 HydrophobicContact CZ3-CD1 4.48Å; W96-F99 PolarHBondContact O-N 3.05Å; D97-F99 VanDerWaalsContact C-N 3.33Å; D97-F99 PolarHBondContact O-N 3.03Å; F99-A101 VanDerWaalsContact C-N 3.32Å; F99-A101 PolarHBondContact O-N 3.22Å; F99-I102 WeakPolarHBondContact O-CB 3.34Å; F99-I102 PolarHBondContact O-N 2.97Å; F99-L103 HydrophobicContact CD1-CD1 3.99Å; F99-L103 HydrophobicContact CD1-CG 4.4Å; F99-L103 HydrophobicContact CE1-CD1 3.54Å; F99-L103 HydrophobicContact CE1-CG 4.08Å; F99-L103 HydrophobicContact CZ-CD1 4.29Å; F99-L103 HydrophobicContact CZ-CG 4.5Å; F99-L103 PolarHBondContact O-N 3.28Å; F99-L103 VanDerWaalsContact O-N 3.11Å; F99-M122 HydrophobicContact CZ-SD 4.05Å; F99-L136 HydrophobicContact CE1-CD1 3.67Å; F99-L136 HydrophobicContact CZ-CD1 4.05Å; F99-L139 HydrophobicContact CD1-CD2 4.2Å; F99-L139 HydrophobicContact CE1-CD2 4.32Å
100Q97.9Very high96.9Very high53 Ų5343.3 Ų43.325%0.24822%0.218CC..Hα-helixtrans-62.6-40.3175-168.9-176.9-58.700111W96 D97 I102 L103 D104 L139 H143 Y144W96-Q100 WeakPolarHBondContact O-CB 3.39Å; W96-Q100 PolarHBondContact O-N 2.78Å; D97-Q100 PolarHBondContact O-N 2.87Å; Q100-I102 VanDerWaalsContact C-N 3.28Å; Q100-I102 PolarHBondContact O-N 2.85Å; Q100-L103 WeakPolarHBondContact O-CB 3.31Å; Q100-L103 PolarHBondContact O-N 2.8Å; Q100-L103 VanDerWaalsContact O-N 3.08Å; Q100-D104 VanDerWaalsContact O-CG 3.28Å; Q100-D104 PolarHBondContact O-N 3.27Å; Q100-L139 HydrophobicContact CG-CD1 4.19Å; Q100-H143 PolarHBondContact NE2-CE1 2.91Å; Q100-H143 PolarHBondContact NE2-NE2 3.48Å; Q100-Y144 HydrophobicContact CG-CE2 4.42Å; Q100-Y144 VanDerWaalsContact CG-OH 3.25Å; Q100-Y144 WeakPolarHBondContact CG-OH 3.42Å; Q100-Y144 PolarHBondContact O-OH 2.88Å
101A97.8Very high97Very high12 Ų1240.2 Ų40.210%0.09920%0.202CC..Hα-helixtrans-59.4-37.5175.100000112.7Y68 I70 D97 S98 F99 H105Y68-A101 HydrophobicContact CD1-CB 4.35Å; Y68-A101 HydrophobicContact CD2-CB 3.46Å; Y68-A101 VanDerWaalsContact CD2-CB 3.46Å; Y68-A101 HydrophobicContact CE2-CB 3.76Å; Y68-A101 HydrophobicContact CG-CB 3.77Å; I70-A101 HydrophobicContact CD1-CB 3.84Å; I70-A101 WeakPolarHBondContact CD1-O 3.39Å; D97-A101 WeakPolarHBondContact O-CB 3.43Å; D97-A101 PolarHBondContact O-N 2.86Å; S98-A101 PolarHBondContact O-N 3.03Å; F99-A101 VanDerWaalsContact C-N 3.32Å; F99-A101 PolarHBondContact O-N 3.22Å; A101-H105 WeakPolarHBondContact O-CB 3.38Å; A101-H105 PolarHBondContact O-N 3.42Å
102I98.3Very high97Very high0 Ų046.9 Ų46.90%022%0.224CC..Hα-helixtrans-63.3-45.5172.8-71.1179.1000111.3V23 F37 T39 I41 I70 P87 S98 F99 Q100 H105 T106V23-I102 HydrophobicContact CB-CG2 4.41Å; V23-I102 HydrophobicContact CG1-CG2 4.06Å; V23-I102 HydrophobicContact CG2-CD1 4.29Å; V23-I102 HydrophobicContact CG2-CG2 3.58Å; F37-I102 HydrophobicContact CE2-CG2 4.18Å; F37-I102 HydrophobicContact CZ-CG2 3.92Å; T39-I102 HydrophobicContact CG2-CD1 4.28Å; T39-I102 WeakPolarHBondContact O-CD1 3.39Å; I41-I102 HydrophobicContact CG2-CD1 3.77Å; I41-I102 HydrophobicContact CG2-CG1 3.66Å; I70-I102 HydrophobicContact CD1-CG1 4.42Å; P87-I102 HydrophobicContact CG-CD1 3.61Å; S98-I102 WeakPolarHBondContact O-CG1 3.42Å; S98-I102 PolarHBondContact O-N 2.82Å; S98-I102 VanDerWaalsContact O-N 3.13Å; F99-I102 WeakPolarHBondContact O-CB 3.34Å; F99-I102 PolarHBondContact O-N 2.97Å; Q100-I102 VanDerWaalsContact C-N 3.28Å; Q100-I102 PolarHBondContact O-N 2.85Å; I102-H105 PolarHBondContact O-N 3.19Å; I102-T106 WeakPolarHBondContact O-CB 3.33Å; I102-T106 PolarHBondContact O-N 3.03Å; I102-T106 PolarHBondContact O-OG1 3.44Å
103L98.3Very high96.8Very high0 Ų047.3 Ų47.30%023%0.23CC..Hα-helixtrans-62.9-46.4177.6-70.3-179.8000111.2F16 I18 F99 Q100 H105 T106 Y107 M122 L139 M140 Y144F16-L103 HydrophobicContact CD1-CD2 3.83Å; F16-L103 HydrophobicContact CE1-CD2 3.85Å; I18-L103 HydrophobicContact CD1-CD2 3.79Å; F99-L103 HydrophobicContact CD1-CD1 3.99Å; F99-L103 HydrophobicContact CD1-CG 4.4Å; F99-L103 HydrophobicContact CE1-CD1 3.54Å; F99-L103 HydrophobicContact CE1-CG 4.08Å; F99-L103 HydrophobicContact CZ-CD1 4.29Å; F99-L103 HydrophobicContact CZ-CG 4.5Å; F99-L103 PolarHBondContact O-N 3.28Å; F99-L103 VanDerWaalsContact O-N 3.11Å; Q100-L103 WeakPolarHBondContact O-CB 3.31Å; Q100-L103 PolarHBondContact O-N 2.8Å; Q100-L103 VanDerWaalsContact O-N 3.08Å; L103-H105 VanDerWaalsContact C-N 3.34Å; L103-H105 PolarHBondContact O-N 3.43Å; L103-T106 WeakPolarHBondContact O-CB 3.47Å; L103-T106 PolarHBondContact O-N 2.88Å; L103-T106 VanDerWaalsContact O-N 3.08Å; L103-Y107 VanDerWaalsContact O-CD2 3.31Å; L103-Y107 WeakPolarHBondContact O-CD2 3.49Å; L103-Y107 PolarHBondContact O-N 2.89Å; L103-M122 HydrophobicContact CD2-CE 4.02Å; L103-L139 HydrophobicContact CD1-CD2 4.17Å; L103-M140 HydrophobicContact CD1-SD 3.89Å; L103-Y144 HydrophobicContact CB-CE1 4.44Å; L103-Y144 HydrophobicContact CB-CE2 4.09Å; L103-Y144 WeakPolarHBondContact CB-OH 3.44Å; L103-Y144 HydrophobicContact CD1-CD2 4.48Å; L103-Y144 HydrophobicContact CD1-CE2 3.63Å
104D97.6Very high96.6Very high64 Ų6452.9 Ų52.934%0.34226%0.255SS..Hα-helixtrans-57.7-46.6176.4-69.4-16.7000111.5Q100 T106 Y107 K108 Y144Q100-D104 VanDerWaalsContact O-CG 3.28Å; Q100-D104 PolarHBondContact O-N 3.27Å; D104-T106 VanDerWaalsContact C-N 3.33Å; D104-T106 PolarHBondContact O-N 3.5Å; D104-Y107 PolarHBondContact O-N 2.96Å; D104-K108 WeakPolarHBondContact O-CB 3.36Å; D104-K108 PolarHBondContact O-N 3.43Å; D104-Y144 PolarHBondContact N-OH 3.45Å; D104-Y144 VanDerWaalsContact OD1-CE1 3.23Å; D104-Y144 WeakPolarHBondContact OD1-CE1 3.37Å; D104-Y144 VanDerWaalsContact OD1-CZ 3.3Å; D104-Y144 PolarHBondContact OD1-OH 3.23Å
105H97.8Very high96.5Very high38 Ų3849 Ų4918%0.17624%0.239CC..Hα-helixtrans-60.3-44.1174.7-177.594.9000111.4I70 A101 I102 L103 K108 M109 H110I70-H105 HydrophobicContact CB-CB 4.1Å; I70-H105 HydrophobicContact CD1-CB 3.83Å; I70-H105 HydrophobicContact CG2-CB 3.86Å; I70-H105 PolarHBondContact O-CE1 2.75Å; A101-H105 WeakPolarHBondContact O-CB 3.38Å; A101-H105 PolarHBondContact O-N 3.42Å; I102-H105 PolarHBondContact O-N 3.19Å; L103-H105 VanDerWaalsContact C-N 3.34Å; L103-H105 PolarHBondContact O-N 3.43Å; H105-K108 PolarHBondContact O-N 3.46Å; H105-M109 VanDerWaalsContact O-CB 3.28Å; H105-M109 WeakPolarHBondContact O-CB 3.39Å; H105-M109 PolarHBondContact O-N 2.91Å; H105-H110 AromaticContact CD2-CD2 3.89Å; H105-H110 AromaticContact CD2-NE2 3.67Å; H105-H110 AromaticContact NE2-NE2 3.38Å; H105-H110 PolarHBondContact NE2-NE2 3.31Å
106T97.8Very high96.5Very high0 Ų048.5 Ų48.50%024%0.24CC..Iπ-helixtrans-61.9-48.6-179.5-56.10000111.4F16 A25 V35 F37 I102 L103 D104 H110 V111F16-T106 HydrophobicContact CD1-CG2 4.39Å; F16-T106 HydrophobicContact CE1-CG2 3.6Å; F16-T106 HydrophobicContact CZ-CG2 4.29Å; A25-T106 HydrophobicContact CB-CG2 3.55Å; V35-T106 HydrophobicContact CG1-CG2 4.28Å; F37-T106 WeakPolarHBondContact CZ-OG1 3.41Å; I102-T106 WeakPolarHBondContact O-CB 3.33Å; I102-T106 PolarHBondContact O-N 3.03Å; I102-T106 PolarHBondContact O-OG1 3.44Å; L103-T106 WeakPolarHBondContact O-CB 3.47Å; L103-T106 PolarHBondContact O-N 2.88Å; L103-T106 VanDerWaalsContact O-N 3.08Å; D104-T106 VanDerWaalsContact C-N 3.33Å; D104-T106 PolarHBondContact O-N 3.5Å; T106-H110 WeakPolarHBondContact O-CB 3.29Å; T106-H110 PolarHBondContact O-N 3.37Å; T106-H110 VanDerWaalsContact O-N 3.11Å; T106-V111 HydrophobicContact CG2-CG2 4.33Å; T106-V111 PolarHBondContact O-N 2.78Å
107Y97.3Very high96.3Very high15 Ų1552 Ų526%0.05926%0.26CS..Iπ-helixtrans-61.7-47.9176.3-82.9-69.6000111.9L14 F16 L103 D104 V111 K112 A115 V120 Y144L14-Y107 HydrophobicContact CD1-CD1 4.42Å; L14-Y107 HydrophobicContact CD1-CE1 3.58Å; F16-Y107 HydrophobicContact CE1-CE2 4.47Å; F16-Y107 HydrophobicContact CE2-CE2 4.5Å; F16-Y107 HydrophobicContact CZ-CD2 4.39Å; F16-Y107 HydrophobicContact CZ-CE1 4.11Å; F16-Y107 AromaticContact CZ-CE2 3.79Å; F16-Y107 HydrophobicContact CZ-CE2 3.79Å; F16-Y107 AromaticContact CZ-CZ 3.64Å; L103-Y107 VanDerWaalsContact O-CD2 3.31Å; L103-Y107 WeakPolarHBondContact O-CD2 3.49Å; L103-Y107 PolarHBondContact O-N 2.89Å; D104-Y107 PolarHBondContact O-N 2.96Å; Y107-V111 HydrophobicContact CD1-CB 4.26Å; Y107-V111 HydrophobicContact CD1-CG1 4.31Å; Y107-V111 HydrophobicContact CD1-CG2 4.27Å; Y107-K112 WeakPolarHBondContact O-CA 3.24Å; Y107-K112 PolarHBondContact O-N 3Å; Y107-A115 HydrophobicContact CD1-CB 3.97Å; Y107-A115 HydrophobicContact CD2-CB 4.43Å; Y107-A115 HydrophobicContact CE1-CB 3.47Å; Y107-A115 VanDerWaalsContact CE1-CB 3.47Å; Y107-A115 HydrophobicContact CE2-CB 3.98Å; Y107-A115 HydrophobicContact CG-CB 4.43Å; Y107-A115 VanDerWaalsContact CZ-CB 3.48Å; Y107-V120 VanDerWaalsContact OH-CG2 3.31Å; Y107-V120 WeakPolarHBondContact OH-CG2 3.4Å; Y107-Y144 HydrophobicContact CD2-CD1 4.02Å; Y107-Y144 AromaticContact CD2-CE1 3.9Å; Y107-Y144 HydrophobicContact CD2-CE1 3.9Å; Y107-Y144 AromaticContact CE2-CD1 3.89Å; Y107-Y144 HydrophobicContact CE2-CD1 3.89Å; Y107-Y144 HydrophobicContact CE2-CE1 4.1Å; Y107-Y144 HydrophobicContact CE2-CG 4.36Å
108K96.3Very high96.2Very high164 Ų16447.7 Ų47.771%0.71324%0.236SC*.Iπ-helixtrans-70.7-46.4-174.8-176178178.8177.60113.4D104 H105D104-K108 WeakPolarHBondContact O-CB 3.36Å; D104-K108 PolarHBondContact O-N 3.43Å; H105-K108 PolarHBondContact O-N 3.46Å
109M96.3Very high96.2Very high95 Ų9547.8 Ų47.847%0.46824%0.237SC..Iπ-helixtrans-93.6-32.6-168.7-61-55.3-64.200113.2H105 K112H105-M109 VanDerWaalsContact O-CB 3.28Å; H105-M109 WeakPolarHBondContact O-CB 3.39Å; H105-M109 PolarHBondContact O-N 2.91Å; M109-K112 WeakPolarHBondContact O-CE 3.34Å
110H95.4Very high96.2Very high36 Ų3647.6 Ų47.617%0.16724%0.236CC..Iπ-helixtrans-114-50-170.8-57.2-68.5000113.3K34 V35 D71 H105 T106K34-H110 WeakPolarHBondContact CE-O 3.29Å; K34-H110 PolarHBondContact NZ-O 3.12Å; V35-H110 HydrophobicContact CB-CB 3.86Å; V35-H110 HydrophobicContact CG1-CB 3.92Å; V35-H110 HydrophobicContact CG2-CB 4.14Å; V35-H110 WeakPolarHBondContact CG2-CE1 3.23Å; V35-H110 VanDerWaalsContact CG2-CG 3.41Å; V35-H110 VanDerWaalsContact CG2-ND1 3.27Å; V35-H110 WeakPolarHBondContact CG2-ND1 3.41Å; D71-H110 IonicContact OD2-CE1 3.49Å; D71-H110 IonicContact OD2-NE2 2.8Å; H105-H110 AromaticContact CD2-CD2 3.89Å; H105-H110 AromaticContact CD2-NE2 3.67Å; H105-H110 AromaticContact NE2-NE2 3.38Å; H105-H110 PolarHBondContact NE2-NE2 3.31Å; T106-H110 WeakPolarHBondContact O-CB 3.29Å; T106-H110 PolarHBondContact O-N 3.37Å; T106-H110 VanDerWaalsContact O-N 3.11Å
111V93.5Very high96.2Very high6 Ų645 Ų454%0.03622%0.224CC..Iπ-helixtrans-67.2-49.9176.4-178.70000109.6L14 K34 T106 Y107 S113L14-V111 HydrophobicContact CD1-CG1 3.83Å; L14-V111 HydrophobicContact CD1-CG2 4.27Å; L14-V111 HydrophobicContact CD2-CG1 4.01Å; L14-V111 HydrophobicContact CD2-CG2 4.22Å; K34-V111 PolarHBondContact NZ-O 2.98Å; T106-V111 HydrophobicContact CG2-CG2 4.33Å; T106-V111 PolarHBondContact O-N 2.78Å; Y107-V111 HydrophobicContact CD1-CB 4.26Å; Y107-V111 HydrophobicContact CD1-CG1 4.31Å; Y107-V111 HydrophobicContact CD1-CG2 4.27Å; V111-S113 VanDerWaalsContact C-N 3.3Å
112K93.4Very high96.2Very high162 Ų16244.6 Ų44.670%0.70422%0.22SC*.  trans5938.1-176.6-56.5-179.1179.6-179.60112.9Y107 M109Y107-K112 WeakPolarHBondContact O-CA 3.24Å; Y107-K112 PolarHBondContact O-N 3Å; M109-K112 WeakPolarHBondContact O-CE 3.34Å
113S92.6Very high96.2Very high38 Ų3845.2 Ų45.227%0.26623%0.225SC..SBendtrans-144.3155176.8-168.90000110V111 H118V111-S113 VanDerWaalsContact C-N 3.3Å; S113-H118 VanDerWaalsContact CB-NE2 3.3Å; S113-H118 WeakPolarHBondContact CB-NE2 3.33Å; S113-H118 PolarHBondContact OG-NE2 3.31Å
114E93.5Very high96.2Very high133 Ų13345.8 Ų45.862%0.62123%0.227SC*.  trans-67.4132.2177.1-66.4179.3-157.800110.8S116 L117 H118E114-S116 PolarHBondContact O-N 3.44Å; E114-L117 HydrophobicContact CB-CD1 4.07Å; E114-L117 HydrophobicContact CB-CG 4.09Å; E114-L117 PolarHBondContact O-N 2.91Å; E114-L117 VanDerWaalsContact O-N 3.16Å; E114-H118 PolarHBondContact O-CD2 3.35Å; E114-H118 VanDerWaalsContact O-CD2 3.27Å
115A95.7Very high96.1Very high13 Ų1343.2 Ų43.211%0.10722%0.215CC..G310 helixtrans-60.1-32.3-179.300000112.9Y107 L117 H118 Y144 I146Y107-A115 HydrophobicContact CD1-CB 3.97Å; Y107-A115 HydrophobicContact CD2-CB 4.43Å; Y107-A115 HydrophobicContact CE1-CB 3.47Å; Y107-A115 VanDerWaalsContact CE1-CB 3.47Å; Y107-A115 HydrophobicContact CE2-CB 3.98Å; Y107-A115 HydrophobicContact CG-CB 4.43Å; Y107-A115 VanDerWaalsContact CZ-CB 3.48Å; A115-L117 PolarHBondContact O-N 3.1Å; A115-L117 VanDerWaalsContact O-N 3.1Å; A115-H118 PolarHBondContact O-N 3.22Å; A115-H118 VanDerWaalsContact O-N 3.12Å; A115-Y144 HydrophobicContact CB-CD1 4.11Å; A115-Y144 HydrophobicContact CB-CG 4.45Å; A115-Y144 WeakPolarHBondContact CB-O 3.34Å; A115-I146 HydrophobicContact CB-CG2 4.2Å
116S95.7Very high96Very high41 Ų4141.6 Ų41.629%0.28721%0.208SC..G310 helixtrans-62.4-14.5178.356.90000114.9E114 N145 P147E114-S116 PolarHBondContact O-N 3.44Å; S116-N145 VanDerWaalsContact CA-O 3.31Å; S116-N145 WeakPolarHBondContact CA-O 3.1Å; S116-P147 WeakPolarHBondContact O-CD 3.45Å
117L94.8Very high95.9Very high105 Ų10544 Ų4455%0.5522%0.217SC..G310 helixtrans-90-11.4179.1-59177.6000113E114 A115E114-L117 HydrophobicContact CB-CD1 4.07Å; E114-L117 HydrophobicContact CB-CG 4.09Å; E114-L117 PolarHBondContact O-N 2.91Å; E114-L117 VanDerWaalsContact O-N 3.16Å; A115-L117 PolarHBondContact O-N 3.1Å; A115-L117 VanDerWaalsContact O-N 3.1Å
118H95.4Very high95.9Very high22 Ų2244.8 Ų44.810%0.10222%0.222CC..SBendtrans-129.8121.7-165.9-60.4-68.4000111.9G12 L14 Y27 S113 E114 A115 P147G12-H118 PolarHBondContact O-ND1 3.04Å; L14-H118 HydrophobicContact CD1-CB 3.69Å; L14-H118 HydrophobicContact CG-CB 3.92Å; Y27-H118 AromaticContact CE1-CE1 3.9Å; S113-H118 VanDerWaalsContact CB-NE2 3.3Å; S113-H118 WeakPolarHBondContact CB-NE2 3.33Å; S113-H118 PolarHBondContact OG-NE2 3.31Å; E114-H118 PolarHBondContact O-CD2 3.35Å; E114-H118 VanDerWaalsContact O-CD2 3.27Å; A115-H118 PolarHBondContact O-N 3.22Å; A115-H118 VanDerWaalsContact O-N 3.12Å; H118-P147 WeakPolarHBondContact O-CD 3.44Å
119P96.6Very high95.9Very high2 Ų239.9 Ų39.91%0.01321%0.206CC..  trans-55.6148.5162.4-24.636.2000110.8Y6 V11 A13 L14 P147 A148 W410Y6-P119 HydrophobicContact CE1-CG 3.69Å; V11-P119 HydrophobicContact CG1-CB 4.44Å; V11-P119 HydrophobicContact CG1-CG 3.75Å; A13-P119 CarbonylContact C-O 3.59Å; A13-P119 VanDerWaalsContact CA-O 3.25Å; A13-P119 WeakPolarHBondContact CA-O 3.37Å; A13-P119 HydrophobicContact CB-CB 4.14Å; L14-P119 PolarHBondContact N-O 2.69Å; P119-P147 HydrophobicContact CG-CG 4.12Å; P119-A148 CarbonylContact C-O 3.25Å; P119-A148 VanDerWaalsContact CA-O 3.3Å; P119-A148 WeakPolarHBondContact CA-O 3.23Å; P119-A148 HydrophobicContact CB-CB 4.13Å; P119-A148 HydrophobicContact CG-CB 4.47Å; P119-W410 HydrophobicContact CB-CH2 4.25Å; P119-W410 HydrophobicContact CB-CZ2 4.33Å; P119-W410 HydrophobicContact CB-CZ3 4.38Å
120V97.9Very high95.9Very high0 Ų041.6 Ų41.60%021%0.207CC..EExtended strand (participates in β ladder)trans-124.8119.8-178.4176.30000111L14 F16 Y107 M122 M140 I146 A148 F149 F150 W410L14-V120 HydrophobicContact CB-CG2 4.47Å; L14-V120 WeakPolarHBondContact O-CA 3.49Å; F16-V120 HydrophobicContact CD2-CG1 3.67Å; F16-V120 HydrophobicContact CE2-CG1 4.09Å; F16-V120 HydrophobicContact CE2-CG2 4.32Å; Y107-V120 VanDerWaalsContact OH-CG2 3.31Å; Y107-V120 WeakPolarHBondContact OH-CG2 3.4Å; V120-M122 HydrophobicContact CG1-CB 4.49Å; V120-M122 HydrophobicContact CG1-CE 4.36Å; V120-M140 HydrophobicContact CB-CE 4.29Å; V120-M140 HydrophobicContact CG1-CE 4.1Å; V120-M140 HydrophobicContact CG2-CE 4.06Å; V120-I146 HydrophobicContact CB-CD1 3.86Å; V120-I146 HydrophobicContact CG2-CB 4.45Å; V120-I146 HydrophobicContact CG2-CD1 4.11Å; V120-I146 HydrophobicContact CG2-CG2 3.92Å; V120-A148 PolarHBondContact N-O 2.78Å; V120-F149 HydrophobicContact CB-CD2 4.12Å; V120-F149 HydrophobicContact CB-CE2 4.49Å; V120-F149 HydrophobicContact CG1-CD2 4.25Å; V120-F149 HydrophobicContact CG1-CE2 4.13Å; V120-F149 WeakPolarHBondContact O-CA 3.28Å; V120-F149 WeakPolarHBondContact O-CD2 3.19Å; V120-F150 PolarHBondContact O-N 2.51Å; V120-W410 WeakPolarHBondContact O-CZ3 3.4Å
121L98.1Very high96.1Very high0 Ų043.2 Ų43.20%023%0.226CC..EExtended strand (participates in β ladder)trans-93.4127.2161.2-173.8150.8000108.5L14 V15 F16 F150 L157 L400 A401 F406 W410L14-L121 PolarHBondContact O-N 2.9Å; V15-L121 CarbonylContact C-O 3.48Å; V15-L121 WeakPolarHBondContact CA-O 3.41Å; V15-L121 HydrophobicContact CG1-CD2 4.09Å; V15-L121 HydrophobicContact CG2-CB 4.46Å; F16-L121 PolarHBondContact N-O 3.2Å; L121-F150 CarbonylContact C-O 3.58Å; L121-F150 VanDerWaalsContact CA-O 3.3Å; L121-F150 WeakPolarHBondContact CA-O 3.1Å; L121-F150 HydrophobicContact CD1-CD1 4.38Å; L121-L157 HydrophobicContact CD2-CD1 4.16Å; L121-L157 HydrophobicContact CD2-CD2 4.3Å; L121-L400 HydrophobicContact CD1-CB 4.45Å; L121-L400 HydrophobicContact CD1-CD2 4.08Å; L121-L400 HydrophobicContact CD1-CG 4.34Å; L121-A401 HydrophobicContact CB-CB 4.3Å; L121-A401 HydrophobicContact CD1-CB 4.12Å; L121-F406 HydrophobicContact CD1-CE1 4.08Å; L121-F406 HydrophobicContact CD1-CZ 4.02Å; L121-W410 HydrophobicContact CB-CH2 3.79Å; L121-W410 HydrophobicContact CB-CZ3 4.06Å
122M98.4Very high96.3Very high3 Ų344.3 Ų44.32%0.01523%0.231CC..EExtended strand (participates in β ladder)trans-122.1139.3175.7-165.3172-66.100111.1F16 I18 F99 L103 V120 L136 M140 F149 F150 L151 C152F16-M122 HydrophobicContact CB-CB 4.42Å; F16-M122 HydrophobicContact CB-CE 3.88Å; F16-M122 HydrophobicContact CB-CG 3.94Å; F16-M122 HydrophobicContact CG-CE 4.14Å; F16-M122 CarbonylContact O-C 3.59Å; F16-M122 WeakPolarHBondContact O-CA 3.43Å; I18-M122 HydrophobicContact CD1-SD 4.42Å; F99-M122 HydrophobicContact CZ-SD 4.05Å; L103-M122 HydrophobicContact CD2-CE 4.02Å; V120-M122 HydrophobicContact CG1-CB 4.49Å; V120-M122 HydrophobicContact CG1-CE 4.36Å; M122-L136 HydrophobicContact CE-CD1 4.43Å; M122-L136 HydrophobicContact SD-CD1 3.82Å; M122-L136 HydrophobicContact SD-CD2 3.7Å; M122-L136 HydrophobicContact SD-CG 4.24Å; M122-M140 HydrophobicContact CE-CE 4.39Å; M122-M140 HydrophobicContact CE-SD 3.95Å; M122-F149 HydrophobicContact CB-CE2 3.96Å; M122-F149 HydrophobicContact CB-CZ 4.15Å; M122-F150 PolarHBondContact N-O 3.16Å; M122-L151 HydrophobicContact CB-CD1 3.99Å; M122-L151 HydrophobicContact CG-CD1 4.43Å; M122-L151 WeakPolarHBondContact O-CA 3.42Å; M122-C152 PolarHBondContact O-N 2.83Å
123S97.7Very high96.5Very high13 Ų1337.1 Ų37.19%0.09120%0.199CC..EExtended strand (participates in β ladder)trans-78.2150.3173.674.10000111.5F16 D17 C152F16-S123 PolarHBondContact O-N 3.33Å; D17-S123 WeakPolarHBondContact CA-OG 3.28Å; D17-S123 PolarHBondContact OD1-OG 2.91Å; D17-S123 VanDerWaalsContact OD1-OG 3.1Å; S123-C152 CarbonylContact C-O 3.51Å; S123-C152 VanDerWaalsContact CA-O 3.23Å; S123-C152 WeakPolarHBondContact CA-O 3.27Å
124E97.6Very high96.8Very high11 Ų1136.4 Ų36.45%0.05119%0.192CC..EExtended strand (participates in β ladder)trans-138.9160168.968.6179.4139.800113N128 R133 L151 C152 K153 T154E124-N128 WeakPolarHBondContact OE2-CB 3.29Å; E124-N128 PolarHBondContact OE2-ND2 3.21Å; E124-R133 IonicContact OE1-CZ 3.59Å; E124-R133 IonicContact OE1-NH1 3.73Å; E124-R133 PolarHBondContact OE1-NH1 3.37Å; E124-R133 WeakPolarHBondContact OE2-CD 3.21Å; E124-R133 VanDerWaalsContact OE2-CG 3.27Å; E124-R133 WeakPolarHBondContact OE2-CG 3.28Å; E124-R133 IonicContact OE2-CZ 2.73Å; E124-R133 IonicContact OE2-NE 3.62Å; E124-R133 IonicContact OE2-NH1 2.73Å; E124-R133 PolarHBondContact OE2-NH1 3.26Å; E124-L151 HydrophobicContact CB-CD1 4.07Å; E124-L151 HydrophobicContact CB-CD2 4.31Å; E124-L151 HydrophobicContact CB-CG 4.07Å; E124-L151 VanDerWaalsContact CD-CG 3.46Å; E124-L151 HydrophobicContact CG-CD1 4.47Å; E124-L151 HydrophobicContact CG-CD2 4.26Å; E124-L151 HydrophobicContact CG-CG 3.96Å; E124-L151 WeakPolarHBondContact OE1-CD2 3.46Å; E124-L151 VanDerWaalsContact OE1-CG 3.28Å; E124-L151 WeakPolarHBondContact OE1-CG 3.5Å; E124-L151 WeakPolarHBondContact OE2-CD2 3.42Å; E124-C152 PolarHBondContact N-O 2.91Å; E124-K153 HydrophobicContact CG-CG 4.17Å; E124-K153 CarbonylContact O-C 3.49Å; E124-K153 WeakPolarHBondContact O-CA 3.38Å; E124-T154 WeakPolarHBondContact O-CG2 3.28Å; E124-T154 PolarHBondContact O-N 3.42Å
125A96.5Very high97Very high10 Ų1034.6 Ų34.68%0.08318%0.182CC..  trans-66.1138.8169.100000111.1W127 N128A125-W127 HydrophobicContact CB-CD2 4.13Å; A125-W127 HydrophobicContact CB-CG 4.5Å; A125-W127 HydrophobicContact CB-CH2 4.49Å; A125-W127 HydrophobicContact CB-CZ2 3.92Å; A125-W127 PolarHBondContact O-N 3.21Å; A125-W127 VanDerWaalsContact O-N 3.09Å; A125-N128 WeakPolarHBondContact O-CB 3.11Å; A125-N128 PolarHBondContact O-N 3.4Å
126P96.1Very high97.1Very high4 Ų434.4 Ų34.43%0.02618%0.179CC..THydrogen-bonded Turntrans-61.2-21.9179.5-26.133.5000116.1K153 A155 I180 V187 Q189 I192P126-K153 HydrophobicContact CB-CD 4.12Å; P126-K153 HydrophobicContact CB-CG 4.46Å; P126-K153 HydrophobicContact CG-CB 4.26Å; P126-A155 HydrophobicContact CG-CB 4.32Å; P126-I180 HydrophobicContact CB-CG2 4.48Å; P126-I180 HydrophobicContact CG-CD1 3.82Å; P126-I180 HydrophobicContact CG-CG1 4.23Å; P126-I180 HydrophobicContact CG-CG2 4.17Å; P126-V187 HydrophobicContact CB-CG1 4.12Å; P126-V187 HydrophobicContact CB-CG2 4.45Å; P126-Q189 PolarHBondContact O-NE2 3.35Å; P126-Q189 PolarHBondContact O-OE1 2.9Å; P126-I192 HydrophobicContact CB-CD1 3.84Å
127W95.5Very high97.2Very high52 Ų5232.4 Ų32.420%0.19717%0.165CC..THydrogen-bonded Turntrans-97.915.9177.156.381.2000113.1N90 A125 T178 I180 I192 K194N90-W127 PolarHBondContact O-NE1 3Å; A125-W127 HydrophobicContact CB-CD2 4.13Å; A125-W127 HydrophobicContact CB-CG 4.5Å; A125-W127 HydrophobicContact CB-CH2 4.49Å; A125-W127 HydrophobicContact CB-CZ2 3.92Å; A125-W127 PolarHBondContact O-N 3.21Å; A125-W127 VanDerWaalsContact O-N 3.09Å; W127-T178 HydrophobicContact CH2-CG2 3.56Å; W127-T178 HydrophobicContact CZ3-CG2 3.86Å; W127-I180 HydrophobicContact CZ3-CD1 4.11Å; W127-I192 HydrophobicContact CE3-CG2 3.92Å; W127-I192 HydrophobicContact CZ3-CG2 4.34Å; W127-K194 HydrophobicContact CD2-CD 3.72Å; W127-K194 HydrophobicContact CE3-CD 3.68Å; W127-K194 HydrophobicContact CE3-CG 4.42Å; W127-K194 HydrophobicContact CG-CD 4.42Å; W127-K194 HydrophobicContact CH2-CD 3.98Å; W127-K194 HydrophobicContact CZ2-CD 4Å; W127-K194 HydrophobicContact CZ3-CD 3.78Å; W127-K194 HydrophobicContact CZ3-CG 4.26Å
128N96.4Very high97.4Very high31 Ų3130.5 Ų30.517%0.16615%0.153CC..  trans-60.8150.5176.1-165.612.3000110.8E124 A125 K132 R133E124-N128 WeakPolarHBondContact OE2-CB 3.29Å; E124-N128 PolarHBondContact OE2-ND2 3.21Å; A125-N128 WeakPolarHBondContact O-CB 3.11Å; A125-N128 PolarHBondContact O-N 3.4Å; N128-K132 WeakPolarHBondContact OD1-CB 3.44Å; N128-R133 HydrophobicContact CB-CG 4.3Å; N128-R133 VanDerWaalsContact ND2-CG 3.34Å; N128-R133 WeakPolarHBondContact ND2-CG 3.48Å
129T96.9Very high97.5Very high61 Ų6130.5 Ų30.537%0.37415%0.154SC..  trans-90.9145.5-177.765.90000110.8M92 A131 K132 R133M92-T129 HydrophobicContact SD-CG2 4.3Å; T129-A131 VanDerWaalsContact C-N 3.26Å; T129-A131 PolarHBondContact O-N 2.9Å; T129-K132 PolarHBondContact O-N 2.99Å; T129-K132 WeakPolarHBondContact OG1-CB 3.49Å; T129-K132 VanDerWaalsContact OG1-CG 3.27Å; T129-K132 WeakPolarHBondContact OG1-CG 3.47Å; T129-K132 PolarHBondContact OG1-N 3.15Å; T129-R133 WeakPolarHBondContact O-CG 3.39Å; T129-R133 PolarHBondContact O-N 3.07Å
130R97.1Very high97.6Very high131 Ų13130.4 Ų30.449%0.49415%0.153SC..Hα-helixtrans-46.8-46.9173.3175.7172.1174.7-1792.5113.2K132 R133 E134 E425R130-K132 VanDerWaalsContact C-N 3.31Å; R130-K132 PolarHBondContact O-N 2.74Å; R130-R133 WeakPolarHBondContact O-CB 3.38Å; R130-R133 PolarHBondContact O-N 2.9Å; R130-E134 HydrophobicContact CG-CG 4.33Å; R130-E134 IonicContact CZ-OE1 3.37Å; R130-E134 IonicContact NE-OE1 2.75Å; R130-E134 PolarHBondContact NE-OE1 3Å; R130-E134 IonicContact NH2-OE1 3.08Å; R130-E134 PolarHBondContact NH2-OE1 3.21Å; R130-E134 VanDerWaalsContact NH2-OE1 3.08Å; R130-E134 WeakPolarHBondContact O-CB 3.34Å; R130-E134 WeakPolarHBondContact O-CG 3.27Å; R130-E134 PolarHBondContact O-N 3.39Å; R130-E425 HydrophobicContact CG-CG 3.91Å
131A97.8Very high97.6Very high69 Ų6930.6 Ų30.657%0.5715%0.154SC*.Hα-helixtrans-59.9-39.9-179.100000113T129 K135T129-A131 VanDerWaalsContact C-N 3.26Å; T129-A131 PolarHBondContact O-N 2.9Å; A131-K135 WeakPolarHBondContact O-CB 3.49Å; A131-K135 PolarHBondContact O-N 3.03Å
132K98.2Very high97.6Very high30 Ų3036.5 Ų36.513%0.1318%0.182CC..Hα-helixtrans-73.3-36.5177.9-68.4-179.3-178.1-155.40112.1M92 V93 E94 W96 N128 T129 R130 K135 L136M92-K132 HydrophobicContact CB-CD 4.07Å; M92-K132 HydrophobicContact SD-CD 4.37Å; V93-K132 WeakPolarHBondContact O-CD 3.37Å; V93-K132 VanDerWaalsContact O-CE 3.29Å; V93-K132 WeakPolarHBondContact O-CE 3.34Å; V93-K132 PolarHBondContact O-NZ 2.67Å; E94-K132 IonicContact OE1-NZ 3.14Å; E94-K132 PolarHBondContact OE1-NZ 3.47Å; E94-K132 IonicContact OE2-NZ 2.61Å; E94-K132 PolarHBondContact OE2-NZ 3.3Å; W96-K132 WeakPolarHBondContact CH2-O 3.49Å; W96-K132 HydrophobicContact CZ2-CB 4.14Å; W96-K132 HydrophobicContact CZ2-CG 4.29Å; N128-K132 WeakPolarHBondContact OD1-CB 3.44Å; T129-K132 PolarHBondContact O-N 2.99Å; T129-K132 WeakPolarHBondContact OG1-CB 3.49Å; T129-K132 VanDerWaalsContact OG1-CG 3.27Å; T129-K132 WeakPolarHBondContact OG1-CG 3.47Å; T129-K132 PolarHBondContact OG1-N 3.15Å; R130-K132 VanDerWaalsContact C-N 3.31Å; R130-K132 PolarHBondContact O-N 2.74Å; K132-K135 PolarHBondContact O-N 3.27Å; K132-L136 WeakPolarHBondContact O-CB 3.43Å; K132-L136 PolarHBondContact O-N 2.73Å
133R98.1Very high97.6Very high11 Ų1141.2 Ų41.24%0.04220%0.204CC..Hα-helixtrans-62-50.7174.8-67.1165.551.9106.94110.9E124 N128 T129 R130 K135 L136 T137 L151 V424 E425 C428E124-R133 IonicContact OE1-CZ 3.59Å; E124-R133 IonicContact OE1-NH1 3.73Å; E124-R133 PolarHBondContact OE1-NH1 3.37Å; E124-R133 WeakPolarHBondContact OE2-CD 3.21Å; E124-R133 VanDerWaalsContact OE2-CG 3.27Å; E124-R133 WeakPolarHBondContact OE2-CG 3.28Å; E124-R133 IonicContact OE2-CZ 2.73Å; E124-R133 IonicContact OE2-NE 3.62Å; E124-R133 IonicContact OE2-NH1 2.73Å; E124-R133 PolarHBondContact OE2-NH1 3.26Å; N128-R133 HydrophobicContact CB-CG 4.3Å; N128-R133 VanDerWaalsContact ND2-CG 3.34Å; N128-R133 WeakPolarHBondContact ND2-CG 3.48Å; T129-R133 WeakPolarHBondContact O-CG 3.39Å; T129-R133 PolarHBondContact O-N 3.07Å; R130-R133 WeakPolarHBondContact O-CB 3.38Å; R130-R133 PolarHBondContact O-N 2.9Å; R133-K135 PolarHBondContact O-N 2.75Å; R133-L136 PolarHBondContact O-N 3.09Å; R133-T137 PolarHBondContact O-N 2.6Å; R133-T137 PolarHBondContact O-OG1 2.98Å; R133-T137 VanDerWaalsContact O-OG1 3.09Å; R133-L151 HydrophobicContact CB-CD2 4.08Å; R133-L151 HydrophobicContact CG-CD2 3.85Å; R133-V424 HydrophobicContact CB-CG1 4.2Å; R133-V424 PolarHBondContact NH2-O 3.35Å; R133-E425 WeakPolarHBondContact CD-OE1 3.34Å; R133-E425 IonicContact CZ-OE1 3.58Å; R133-E425 IonicContact NE-OE1 2.9Å; R133-E425 PolarHBondContact NE-OE1 2.77Å; R133-E425 IonicContact NE-OE2 2.68Å; R133-E425 IonicContact NH2-OE1 3.49Å; R133-C428 PolarHBondContact NH2-O 2.96Å
134E98.2Very high97.6Very high22 Ų2241.6 Ų41.610%0.10320%0.203CC..Hα-helixtrans-59.2-43.5175.8-74.4-177.1-174.300112.1R130 T137 E138 K421 V424R130-E134 HydrophobicContact CG-CG 4.33Å; R130-E134 IonicContact CZ-OE1 3.37Å; R130-E134 IonicContact NE-OE1 2.75Å; R130-E134 PolarHBondContact NE-OE1 3Å; R130-E134 IonicContact NH2-OE1 3.08Å; R130-E134 PolarHBondContact NH2-OE1 3.21Å; R130-E134 VanDerWaalsContact NH2-OE1 3.08Å; R130-E134 WeakPolarHBondContact O-CB 3.34Å; R130-E134 WeakPolarHBondContact O-CG 3.27Å; R130-E134 PolarHBondContact O-N 3.39Å; E134-T137 PolarHBondContact O-N 3.09Å; E134-E138 WeakPolarHBondContact O-CB 3.33Å; E134-E138 PolarHBondContact O-N 3.14Å; E134-K421 HydrophobicContact CB-CB 4.19Å; E134-K421 HydrophobicContact CB-CD 3.87Å; E134-K421 HydrophobicContact CB-CG 3.84Å; E134-K421 HydrophobicContact CG-CG 4.11Å; E134-V424 HydrophobicContact CG-CG1 4.33Å
135K98.3Very high97.6Very high95 Ų9544.5 Ų44.541%0.41322%0.219SC..Hα-helixtrans-64.9-38177.2-175.8168.6177.1-172.80112.8W96 A131 K132 R133 L139W96-K135 HydrophobicContact CD2-CD 3.73Å; W96-K135 VanDerWaalsContact CD2-CE 3.47Å; W96-K135 HydrophobicContact CD2-CG 4.09Å; W96-K135 VanDerWaalsContact CE2-CD 3.49Å; W96-K135 HydrophobicContact CE3-CD 4.3Å; W96-K135 HydrophobicContact CE3-CG 4.16Å; W96-K135 HydrophobicContact CG-CD 4.09Å; W96-K135 VanDerWaalsContact CG-CE 3.41Å; W96-K135 HydrophobicContact CH2-CB 3.97Å; W96-K135 HydrophobicContact CH2-CD 4.4Å; W96-K135 HydrophobicContact CH2-CG 3.97Å; W96-K135 HydrophobicContact CZ2-CB 3.94Å; W96-K135 HydrophobicContact CZ2-CD 3.85Å; W96-K135 HydrophobicContact CZ2-CG 3.9Å; W96-K135 HydrophobicContact CZ3-CG 4.11Å; A131-K135 WeakPolarHBondContact O-CB 3.49Å; A131-K135 PolarHBondContact O-N 3.03Å; K132-K135 PolarHBondContact O-N 3.27Å; R133-K135 PolarHBondContact O-N 2.75Å; K135-L139 WeakPolarHBondContact O-CB 3.44Å; K135-L139 PolarHBondContact O-N 2.87Å
136L98.3Very high97.7Very high9 Ų944 Ų445%0.04722%0.215CC..Hα-helixtrans-64.7-44.7174.1179.759.5000111.2W96 F99 M122 K132 R133 E138 L139 M140 F149 L151W96-L136 HydrophobicContact CH2-CB 3.88Å; W96-L136 HydrophobicContact CZ3-CB 4.07Å; W96-L136 HydrophobicContact CZ3-CD1 4.24Å; F99-L136 HydrophobicContact CE1-CD1 3.67Å; F99-L136 HydrophobicContact CZ-CD1 4.05Å; M122-L136 HydrophobicContact CE-CD1 4.43Å; M122-L136 HydrophobicContact SD-CD1 3.82Å; M122-L136 HydrophobicContact SD-CD2 3.7Å; M122-L136 HydrophobicContact SD-CG 4.24Å; K132-L136 WeakPolarHBondContact O-CB 3.43Å; K132-L136 PolarHBondContact O-N 2.73Å; R133-L136 PolarHBondContact O-N 3.09Å; L136-E138 PolarHBondContact O-N 2.92Å; L136-L139 PolarHBondContact O-N 2.87Å; L136-M140 HydrophobicContact CD1-CG 4.14Å; L136-M140 HydrophobicContact CG-CG 4.5Å; L136-M140 VanDerWaalsContact O-CG 3.3Å; L136-M140 WeakPolarHBondContact O-CG 3.45Å; L136-M140 PolarHBondContact O-N 3.03Å; L136-F149 HydrophobicContact CD2-CZ 4.26Å; L136-F149 HydrophobicContact CG-CZ 4.14Å; L136-L151 HydrophobicContact CD2-CD1 3.53Å; L136-L151 HydrophobicContact CD2-CD2 4.38Å
137T98.3Very high97.7Very high0 Ų045.1 Ų45.10%022%0.222CC..Hα-helixtrans-60.1-45.4177-59.60000111.7R133 E134 M140 F141 F149 Y416 V424R133-T137 PolarHBondContact O-N 2.6Å; R133-T137 PolarHBondContact O-OG1 2.98Å; R133-T137 VanDerWaalsContact O-OG1 3.09Å; E134-T137 PolarHBondContact O-N 3.09Å; T137-M140 PolarHBondContact O-N 3.38Å; T137-F141 HydrophobicContact CG2-CD2 3.72Å; T137-F141 HydrophobicContact CG2-CE2 3.85Å; T137-F141 WeakPolarHBondContact O-CD2 3.47Å; T137-F141 PolarHBondContact O-N 2.91Å; T137-F149 HydrophobicContact CG2-CD1 4.25Å; T137-Y416 HydrophobicContact CG2-CD2 3.94Å; T137-Y416 HydrophobicContact CG2-CE2 3.96Å; T137-V424 HydrophobicContact CG2-CB 4.46Å; T137-V424 WeakPolarHBondContact OG1-CB 3.33Å; T137-V424 WeakPolarHBondContact OG1-CG2 3.44Å
138E98.1Very high97.8Very high64 Ų6442.9 Ų42.930%0.29922%0.215SC..Hα-helixtrans-57.8-50.3174.7-177-178.9146.500111.5E134 L136 M140 F141 E142 K421E134-E138 WeakPolarHBondContact O-CB 3.33Å; E134-E138 PolarHBondContact O-N 3.14Å; L136-E138 PolarHBondContact O-N 2.92Å; E138-M140 VanDerWaalsContact C-N 3.33Å; E138-M140 PolarHBondContact O-N 2.84Å; E138-F141 PolarHBondContact O-N 3.42Å; E138-E142 HydrophobicContact CG-CG 4.37Å; E138-E142 VanDerWaalsContact O-CB 3.29Å; E138-E142 WeakPolarHBondContact O-CB 3.28Å; E138-E142 WeakPolarHBondContact O-CG 3.29Å; E138-E142 PolarHBondContact O-N 2.96Å; E138-K421 HydrophobicContact CB-CB 4.5Å; E138-K421 HydrophobicContact CB-CD 4.18Å; E138-K421 VanDerWaalsContact OE2-CD 3.24Å; E138-K421 WeakPolarHBondContact OE2-CD 3.36Å; E138-K421 IonicContact OE2-NZ 3.46Å; E138-K421 PolarHBondContact OE2-NZ 3.28Å
139L98.3Very high97.8Very high22 Ų2241.4 Ų41.412%0.11521%0.207CC..Iπ-helixtrans-54.8-48.4176.9174.965000111.7W96 F99 Q100 L103 K135 L136 H143 Y144W96-L139 HydrophobicContact CE3-CD2 4.25Å; W96-L139 HydrophobicContact CZ3-CD2 4.35Å; F99-L139 HydrophobicContact CD1-CD2 4.2Å; F99-L139 HydrophobicContact CE1-CD2 4.32Å; Q100-L139 HydrophobicContact CG-CD1 4.19Å; L103-L139 HydrophobicContact CD1-CD2 4.17Å; K135-L139 WeakPolarHBondContact O-CB 3.44Å; K135-L139 PolarHBondContact O-N 2.87Å; L136-L139 PolarHBondContact O-N 2.87Å; L139-H143 HydrophobicContact CD1-CB 3.79Å; L139-H143 WeakPolarHBondContact O-CA 3.14Å; L139-H143 WeakPolarHBondContact O-CB 3.43Å; L139-H143 PolarHBondContact O-N 3.13Å; L139-Y144 HydrophobicContact CD1-CE2 4.15Å; L139-Y144 HydrophobicContact CD2-CE2 4.42Å; L139-Y144 HydrophobicContact CG-CD2 4.31Å; L139-Y144 HydrophobicContact CG-CE2 4.05Å; L139-Y144 PolarHBondContact O-N 3.14Å
140M98.4Very high97.9Very high0 Ų039.1 Ų39.10%019%0.192CC..Iπ-helixtrans-68.1-42-175.5-67-54-5700112.8L103 V120 M122 L136 T137 E138 Y144 N145 I146 F149L103-M140 HydrophobicContact CD1-SD 3.89Å; V120-M140 HydrophobicContact CB-CE 4.29Å; V120-M140 HydrophobicContact CG1-CE 4.1Å; V120-M140 HydrophobicContact CG2-CE 4.06Å; M122-M140 HydrophobicContact CE-CE 4.39Å; M122-M140 HydrophobicContact CE-SD 3.95Å; L136-M140 HydrophobicContact CD1-CG 4.14Å; L136-M140 HydrophobicContact CG-CG 4.5Å; L136-M140 VanDerWaalsContact O-CG 3.3Å; L136-M140 WeakPolarHBondContact O-CG 3.45Å; L136-M140 PolarHBondContact O-N 3.03Å; T137-M140 PolarHBondContact O-N 3.38Å; E138-M140 VanDerWaalsContact C-N 3.33Å; E138-M140 PolarHBondContact O-N 2.84Å; M140-Y144 HydrophobicContact CE-CD2 4.1Å; M140-Y144 HydrophobicContact CE-CG 4.35Å; M140-Y144 CarbonylContact O-C 3.56Å; M140-Y144 WeakPolarHBondContact O-CB 3.35Å; M140-Y144 PolarHBondContact O-N 3.33Å; M140-Y144 HydrophobicContact SD-CD2 3.72Å; M140-Y144 HydrophobicContact SD-CE2 4.2Å; M140-N145 PolarHBondContact O-N 2.89Å; M140-I146 HydrophobicContact CB-CD1 3.64Å; M140-I146 HydrophobicContact CB-CG1 4.26Å; M140-I146 HydrophobicContact CE-CD1 4.09Å; M140-I146 HydrophobicContact CE-CG2 4Å; M140-I146 WeakPolarHBondContact O-CG1 3.22Å; M140-I146 PolarHBondContact O-N 2.92Å; M140-F149 HydrophobicContact CB-CD2 4.28Å; M140-F149 HydrophobicContact CB-CE2 4.28Å; M140-F149 HydrophobicContact CG-CD2 4.31Å; M140-F149 HydrophobicContact CG-CE2 3.84Å; M140-F149 HydrophobicContact CG-CZ 4.13Å
141F98.4Very high97.9Very high4 Ų433 Ų332%0.01817%0.169CC..Iπ-helixtrans-78.7-39.8179.4-80-66.4000113.7T137 E138 N145 I146 F149 I411 K413 Y416T137-F141 HydrophobicContact CG2-CD2 3.72Å; T137-F141 HydrophobicContact CG2-CE2 3.85Å; T137-F141 WeakPolarHBondContact O-CD2 3.47Å; T137-F141 PolarHBondContact O-N 2.91Å; E138-F141 PolarHBondContact O-N 3.42Å; F141-N145 WeakPolarHBondContact O-CA 3.23Å; F141-N145 PolarHBondContact O-N 2.86Å; F141-I146 HydrophobicContact CD1-CG1 4.02Å; F141-I146 WeakPolarHBondContact CD1-O 3.48Å; F141-I146 HydrophobicContact CE1-CG1 4.15Å; F141-F149 HydrophobicContact CD2-CB 4.44Å; F141-F149 HydrophobicContact CE1-CB 4.35Å; F141-F149 HydrophobicContact CE2-CB 3.53Å; F141-F149 HydrophobicContact CE2-CD1 4.48Å; F141-F149 HydrophobicContact CE2-CG 4.36Å; F141-F149 HydrophobicContact CZ-CB 3.48Å; F141-F149 VanDerWaalsContact CZ-CB 3.48Å; F141-I411 HydrophobicContact CE2-CG2 4Å; F141-I411 HydrophobicContact CZ-CB 4.3Å; F141-I411 HydrophobicContact CZ-CG2 3.94Å; F141-I411 WeakPolarHBondContact CZ-O 3.35Å; F141-K413 HydrophobicContact CD1-CB 4.24Å; F141-K413 HydrophobicContact CD1-CG 4.22Å; F141-K413 HydrophobicContact CE1-CB 4.07Å; F141-Y416 HydrophobicContact CB-CD1 3.63Å; F141-Y416 HydrophobicContact CB-CD2 4.21Å; F141-Y416 HydrophobicContact CB-CE1 3.65Å; F141-Y416 HydrophobicContact CB-CE2 4.19Å; F141-Y416 HydrophobicContact CB-CG 3.93Å; F141-Y416 HydrophobicContact CD1-CD1 4.42Å; F141-Y416 HydrophobicContact CD1-CG 4.28Å; F141-Y416 HydrophobicContact CD2-CD1 4.1Å; F141-Y416 AromaticContact CD2-CD2 3.34Å; F141-Y416 HydrophobicContact CD2-CD2 3.34Å; F141-Y416 AromaticContact CD2-CE2 3.88Å; F141-Y416 HydrophobicContact CD2-CE2 3.88Å; F141-Y416 AromaticContact CD2-CG 3.47Å; F141-Y416 HydrophobicContact CD2-CG 3.47Å; F141-Y416 VanDerWaalsContact CD2-CG 3.47Å; F141-Y416 AromaticContact CE2-CD2 3.87Å; F141-Y416 HydrophobicContact CE2-CD2 3.87Å; F141-Y416 AromaticContact CE2-CG 3.96Å; F141-Y416 HydrophobicContact CE2-CG 3.96Å; F141-Y416 AromaticContact CG-CD1 3.82Å; F141-Y416 HydrophobicContact CG-CD1 3.82Å; F141-Y416 AromaticContact CG-CD2 3.95Å; F141-Y416 HydrophobicContact CG-CD2 3.95Å; F141-Y416 HydrophobicContact CG-CE1 4.3Å; F141-Y416 HydrophobicContact CG-CE2 4.38Å; F141-Y416 AromaticContact CG-CG 3.64Å; F141-Y416 HydrophobicContact CG-CG 3.64Å
142E97.9Very high97.9Very high125 Ų12530.1 Ų30.158%0.58415%0.145SC*.Iπ-helixtrans-87.5-42.3-172.9-61.2-172.2-166.800112.4E138 Y416E138-E142 HydrophobicContact CG-CG 4.37Å; E138-E142 VanDerWaalsContact O-CB 3.29Å; E138-E142 WeakPolarHBondContact O-CB 3.28Å; E138-E142 WeakPolarHBondContact O-CG 3.29Å; E138-E142 PolarHBondContact O-N 2.96Å; E142-Y416 HydrophobicContact CG-CE1 4Å; E142-Y416 PolarHBondContact OE1-OH 3.17Å
143H97.8Very high97.9Very high102 Ų10229.2 Ų29.247%0.47214%0.141SC..Iπ-helixtrans-84.4-52.7-180-171.682.2000111.8Q100 L139Q100-H143 PolarHBondContact NE2-CE1 2.91Å; Q100-H143 PolarHBondContact NE2-NE2 3.48Å; L139-H143 HydrophobicContact CD1-CB 3.79Å; L139-H143 WeakPolarHBondContact O-CA 3.14Å; L139-H143 WeakPolarHBondContact O-CB 3.43Å; L139-H143 PolarHBondContact O-N 3.13Å
144Y98Very high97.8Very high20 Ų2030 Ų308%0.07815%0.146CC..SBendtrans-84.9-10.1-177.7-67.4-72.7000113.9Q100 L103 D104 Y107 A115 L139 M140 I146Q100-Y144 HydrophobicContact CG-CE2 4.42Å; Q100-Y144 VanDerWaalsContact CG-OH 3.25Å; Q100-Y144 WeakPolarHBondContact CG-OH 3.42Å; Q100-Y144 PolarHBondContact O-OH 2.88Å; L103-Y144 HydrophobicContact CB-CE1 4.44Å; L103-Y144 HydrophobicContact CB-CE2 4.09Å; L103-Y144 WeakPolarHBondContact CB-OH 3.44Å; L103-Y144 HydrophobicContact CD1-CD2 4.48Å; L103-Y144 HydrophobicContact CD1-CE2 3.63Å; D104-Y144 PolarHBondContact N-OH 3.45Å; D104-Y144 VanDerWaalsContact OD1-CE1 3.23Å; D104-Y144 WeakPolarHBondContact OD1-CE1 3.37Å; D104-Y144 VanDerWaalsContact OD1-CZ 3.3Å; D104-Y144 PolarHBondContact OD1-OH 3.23Å; Y107-Y144 HydrophobicContact CD2-CD1 4.02Å; Y107-Y144 AromaticContact CD2-CE1 3.9Å; Y107-Y144 HydrophobicContact CD2-CE1 3.9Å; Y107-Y144 AromaticContact CE2-CD1 3.89Å; Y107-Y144 HydrophobicContact CE2-CD1 3.89Å; Y107-Y144 HydrophobicContact CE2-CE1 4.1Å; Y107-Y144 HydrophobicContact CE2-CG 4.36Å; A115-Y144 HydrophobicContact CB-CD1 4.11Å; A115-Y144 HydrophobicContact CB-CG 4.45Å; A115-Y144 WeakPolarHBondContact CB-O 3.34Å; L139-Y144 HydrophobicContact CD1-CE2 4.15Å; L139-Y144 HydrophobicContact CD2-CE2 4.42Å; L139-Y144 HydrophobicContact CG-CD2 4.31Å; L139-Y144 HydrophobicContact CG-CE2 4.05Å; L139-Y144 PolarHBondContact O-N 3.14Å; M140-Y144 HydrophobicContact CE-CD2 4.1Å; M140-Y144 HydrophobicContact CE-CG 4.35Å; M140-Y144 CarbonylContact O-C 3.56Å; M140-Y144 WeakPolarHBondContact O-CB 3.35Å; M140-Y144 PolarHBondContact O-N 3.33Å; M140-Y144 HydrophobicContact SD-CD2 3.72Å; M140-Y144 HydrophobicContact SD-CE2 4.2Å; Y144-I146 PolarHBondContact O-N 2.87Å
145N97.8Very high97.8Very high72 Ų7229 Ų2939%0.38514%0.142SC..  trans54.136.2175.8-170.535.8000113.5S116 M140 F141 K413S116-N145 VanDerWaalsContact CA-O 3.31Å; S116-N145 WeakPolarHBondContact CA-O 3.1Å; M140-N145 PolarHBondContact O-N 2.89Å; F141-N145 WeakPolarHBondContact O-CA 3.23Å; F141-N145 PolarHBondContact O-N 2.86Å; N145-K413 WeakPolarHBondContact OD1-CE 3.26Å; N145-K413 PolarHBondContact OD1-NZ 2.89Å
146I97.6Very high97.8Very high0 Ų025.6 Ų25.60%013%0.129CC..  trans-67.4147.2-177.767.4174.4000111.3A115 V120 M140 F141 Y144 F149A115-I146 HydrophobicContact CB-CG2 4.2Å; V120-I146 HydrophobicContact CB-CD1 3.86Å; V120-I146 HydrophobicContact CG2-CB 4.45Å; V120-I146 HydrophobicContact CG2-CD1 4.11Å; V120-I146 HydrophobicContact CG2-CG2 3.92Å; M140-I146 HydrophobicContact CB-CD1 3.64Å; M140-I146 HydrophobicContact CB-CG1 4.26Å; M140-I146 HydrophobicContact CE-CD1 4.09Å; M140-I146 HydrophobicContact CE-CG2 4Å; M140-I146 WeakPolarHBondContact O-CG1 3.22Å; M140-I146 PolarHBondContact O-N 2.92Å; F141-I146 HydrophobicContact CD1-CG1 4.02Å; F141-I146 WeakPolarHBondContact CD1-O 3.48Å; F141-I146 HydrophobicContact CE1-CG1 4.15Å; Y144-I146 PolarHBondContact O-N 2.87Å; I146-F149 HydrophobicContact CD1-CB 3.69Å; I146-F149 HydrophobicContact CD1-CD2 3.52Å; I146-F149 HydrophobicContact CD1-CE2 4.49Å; I146-F149 HydrophobicContact CD1-CG 3.92Å
147P96.6Very high97.7Very high28 Ų2825.2 Ų25.218%0.18213%0.127CC..SBendtrans-76-29.7-176.629-34.8000113.3Y6 S116 H118 P119 K413Y6-P147 HydrophobicContact CE2-CB 4.47Å; Y6-P147 VanDerWaalsContact OH-CB 3.26Å; Y6-P147 WeakPolarHBondContact OH-CB 3.06Å; Y6-P147 WeakPolarHBondContact OH-CG 3.29Å; S116-P147 WeakPolarHBondContact O-CD 3.45Å; H118-P147 WeakPolarHBondContact O-CD 3.44Å; P119-P147 HydrophobicContact CG-CG 4.12Å; P147-K413 WeakPolarHBondContact O-CB 3.47Å; P147-K413 PolarHBondContact O-N 3.13Å
148A97Very high97.7Very high5 Ų525.5 Ų25.54%0.04113%0.129CC..EExtended strand (participates in β ladder)trans-154.7150.8176.700000111.5P119 V120 W410 I411P119-A148 CarbonylContact C-O 3.25Å; P119-A148 VanDerWaalsContact CA-O 3.3Å; P119-A148 WeakPolarHBondContact CA-O 3.23Å; P119-A148 HydrophobicContact CB-CB 4.13Å; P119-A148 HydrophobicContact CG-CB 4.47Å; V120-A148 PolarHBondContact N-O 2.78Å; A148-W410 HydrophobicContact CB-CB 3.94Å; A148-W410 HydrophobicContact CB-CD2 4.47Å; A148-W410 HydrophobicContact CB-CE3 4.45Å; A148-W410 HydrophobicContact CB-CG 4.27Å; A148-I411 CarbonylContact C-O 3.56Å; A148-I411 WeakPolarHBondContact CA-O 3.13Å; A148-I411 WeakPolarHBondContact CB-O 3.47Å
149F97.8Very high97.6Very high0 Ų022.5 Ų22.50%012%0.115CC..EExtended strand (participates in β ladder)trans-134.1145.3-176-169.6-123.6000111.7V120 M122 L136 T137 M140 F141 I146 L151 I411V120-F149 HydrophobicContact CB-CD2 4.12Å; V120-F149 HydrophobicContact CB-CE2 4.49Å; V120-F149 HydrophobicContact CG1-CD2 4.25Å; V120-F149 HydrophobicContact CG1-CE2 4.13Å; V120-F149 WeakPolarHBondContact O-CA 3.28Å; V120-F149 WeakPolarHBondContact O-CD2 3.19Å; M122-F149 HydrophobicContact CB-CE2 3.96Å; M122-F149 HydrophobicContact CB-CZ 4.15Å; L136-F149 HydrophobicContact CD2-CZ 4.26Å; L136-F149 HydrophobicContact CG-CZ 4.14Å; T137-F149 HydrophobicContact CG2-CD1 4.25Å; M140-F149 HydrophobicContact CB-CD2 4.28Å; M140-F149 HydrophobicContact CB-CE2 4.28Å; M140-F149 HydrophobicContact CG-CD2 4.31Å; M140-F149 HydrophobicContact CG-CE2 3.84Å; M140-F149 HydrophobicContact CG-CZ 4.13Å; F141-F149 HydrophobicContact CD2-CB 4.44Å; F141-F149 HydrophobicContact CE1-CB 4.35Å; F141-F149 HydrophobicContact CE2-CB 3.53Å; F141-F149 HydrophobicContact CE2-CD1 4.48Å; F141-F149 HydrophobicContact CE2-CG 4.36Å; F141-F149 HydrophobicContact CZ-CB 3.48Å; F141-F149 VanDerWaalsContact CZ-CB 3.48Å; I146-F149 HydrophobicContact CD1-CB 3.69Å; I146-F149 HydrophobicContact CD1-CD2 3.52Å; I146-F149 HydrophobicContact CD1-CE2 4.49Å; I146-F149 HydrophobicContact CD1-CG 3.92Å; F149-L151 HydrophobicContact CE1-CB 4.03Å; F149-L151 HydrophobicContact CE1-CD1 4.4Å; F149-L151 HydrophobicContact CZ-CB 4.34Å; F149-L151 HydrophobicContact CZ-CD1 3.99Å; F149-I411 PolarHBondContact N-O 2.97Å; F149-I411 WeakPolarHBondContact O-CB 3.36Å; F149-I411 PolarHBondContact O-N 3.31Å
150F97.8Very high97.4Very high13 Ų1324.7 Ų24.76%0.05712%0.124CC..EExtended strand (participates in β ladder)trans-144128.5166.1-164.9-90.7000110.2V120 L121 M122 C152 F406 M409 W410 K427 C428V120-F150 PolarHBondContact O-N 2.51Å; L121-F150 CarbonylContact C-O 3.58Å; L121-F150 VanDerWaalsContact CA-O 3.3Å; L121-F150 WeakPolarHBondContact CA-O 3.1Å; L121-F150 HydrophobicContact CD1-CD1 4.38Å; M122-F150 PolarHBondContact N-O 3.16Å; F150-C152 HydrophobicContact CD1-CB 3.98Å; F150-C152 HydrophobicContact CE1-CB 3.85Å; F150-F406 HydrophobicContact CB-CE1 4.32Å; F150-F406 HydrophobicContact CB-CZ 4.02Å; F150-F406 HydrophobicContact CD1-CE2 4.26Å; F150-F406 AromaticContact CD1-CZ 3.56Å; F150-F406 HydrophobicContact CD1-CZ 3.56Å; F150-F406 HydrophobicContact CD2-CE2 4.43Å; F150-F406 AromaticContact CD2-CZ 3.88Å; F150-F406 HydrophobicContact CD2-CZ 3.88Å; F150-F406 HydrophobicContact CE1-CE2 4.12Å; F150-F406 AromaticContact CE1-CZ 3.9Å; F150-F406 HydrophobicContact CE1-CZ 3.9Å; F150-F406 HydrophobicContact CE2-CE2 4.32Å; F150-F406 HydrophobicContact CE2-CZ 4.2Å; F150-F406 HydrophobicContact CG-CE1 4.31Å; F150-F406 HydrophobicContact CG-CE2 4.4Å; F150-F406 AromaticContact CG-CZ 3.54Å; F150-F406 HydrophobicContact CG-CZ 3.54Å; F150-F406 HydrophobicContact CZ-CE2 4.16Å; F150-F406 HydrophobicContact CZ-CZ 4.2Å; F150-M409 HydrophobicContact CD2-CB 4.34Å; F150-M409 WeakPolarHBondContact CD2-O 3.42Å; F150-M409 HydrophobicContact CE2-CB 4Å; F150-M409 HydrophobicContact CE2-CE 4.27Å; F150-W410 HydrophobicContact CB-CD2 4.47Å; F150-W410 HydrophobicContact CB-CE3 3.51Å; F150-W410 HydrophobicContact CB-CZ3 3.55Å; F150-K427 WeakPolarHBondContact CE2-O 3.34Å; F150-C428 WeakPolarHBondContact CD2-SG 3.32Å; F150-C428 VanDerWaalsContact CE2-SG 3.6Å
151L97.9Very high97.2Very high1 Ų125.8 Ų25.81%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-101.1129.1175.1-164.166.1000108.6M122 E124 R133 L136 F149 V424 C428M122-L151 HydrophobicContact CB-CD1 3.99Å; M122-L151 HydrophobicContact CG-CD1 4.43Å; M122-L151 WeakPolarHBondContact O-CA 3.42Å; E124-L151 HydrophobicContact CB-CD1 4.07Å; E124-L151 HydrophobicContact CB-CD2 4.31Å; E124-L151 HydrophobicContact CB-CG 4.07Å; E124-L151 VanDerWaalsContact CD-CG 3.46Å; E124-L151 HydrophobicContact CG-CD1 4.47Å; E124-L151 HydrophobicContact CG-CD2 4.26Å; E124-L151 HydrophobicContact CG-CG 3.96Å; E124-L151 WeakPolarHBondContact OE1-CD2 3.46Å; E124-L151 VanDerWaalsContact OE1-CG 3.28Å; E124-L151 WeakPolarHBondContact OE1-CG 3.5Å; E124-L151 WeakPolarHBondContact OE2-CD2 3.42Å; R133-L151 HydrophobicContact CB-CD2 4.08Å; R133-L151 HydrophobicContact CG-CD2 3.85Å; L136-L151 HydrophobicContact CD2-CD1 3.53Å; L136-L151 HydrophobicContact CD2-CD2 4.38Å; F149-L151 HydrophobicContact CE1-CB 4.03Å; F149-L151 HydrophobicContact CE1-CD1 4.4Å; F149-L151 HydrophobicContact CZ-CB 4.34Å; F149-L151 HydrophobicContact CZ-CD1 3.99Å; L151-V424 HydrophobicContact CB-CG2 4.03Å; L151-V424 HydrophobicContact CD2-CG2 4.21Å; L151-C428 HydrophobicContact CB-CB 4.28Å; L151-C428 PolarHBondContact N-SG 2.8Å; L151-C428 VanDerWaalsContact N-SG 3.38Å; L151-C428 WeakPolarHBondContact O-CB 3.48Å
152C97.6Very high97Very high10 Ų1027 Ų277%0.06814%0.14CC..EExtended strand (participates in β ladder)trans-133.3135.6-176.4-1640000111.8M122 S123 E124 F150 T154 L157M122-C152 PolarHBondContact O-N 2.83Å; S123-C152 CarbonylContact C-O 3.51Å; S123-C152 VanDerWaalsContact CA-O 3.23Å; S123-C152 WeakPolarHBondContact CA-O 3.27Å; E124-C152 PolarHBondContact N-O 2.91Å; F150-C152 HydrophobicContact CD1-CB 3.98Å; F150-C152 HydrophobicContact CE1-CB 3.85Å; C152-T154 PolarHBondContact O-N 3.11Å; C152-L157 HydrophobicContact CB-CD1 4.16Å; C152-L157 HydrophobicContact CB-CD2 3.75Å; C152-L157 HydrophobicContact CB-CG 3.98Å; C152-L157 WeakPolarHBondContact SG-CD2 3.43Å
153K97.5Very high96.8Very high11 Ų1124.3 Ų24.35%0.04815%0.146CC..EExtended strand (participates in β ladder)trans-65.6133.2179-65.7176-177.7133.50110.4E124 P126 A155 V156 L157 V187 P429E124-K153 HydrophobicContact CG-CG 4.17Å; E124-K153 CarbonylContact O-C 3.49Å; E124-K153 WeakPolarHBondContact O-CA 3.38Å; P126-K153 HydrophobicContact CB-CD 4.12Å; P126-K153 HydrophobicContact CB-CG 4.46Å; P126-K153 HydrophobicContact CG-CB 4.26Å; K153-A155 PolarHBondContact O-N 2.88Å; K153-A155 VanDerWaalsContact O-N 3.13Å; K153-V156 HydrophobicContact CB-CG2 4.22Å; K153-V156 PolarHBondContact O-N 3.24Å; K153-L157 PolarHBondContact O-N 2.86Å; K153-V187 HydrophobicContact CB-CG2 4.06Å; K153-V187 HydrophobicContact CD-CB 3.87Å; K153-V187 HydrophobicContact CD-CG2 3.58Å; K153-V187 HydrophobicContact CG-CG2 4.48Å; K153-P429 PolarHBondContact NZ-O 2.8Å; K153-P429 PolarHBondContact NZ-OXT 2.91Å
154T97.1Very high96.7Very high26 Ų2624.3 Ų24.316%0.1614%0.142CC..Hα-helixtrans-51.1-41.4-177.850.40000113E124 C152 V156 L157 T158E124-T154 WeakPolarHBondContact O-CG2 3.28Å; E124-T154 PolarHBondContact O-N 3.42Å; C152-T154 PolarHBondContact O-N 3.11Å; T154-V156 PolarHBondContact O-N 2.85Å; T154-L157 PolarHBondContact O-N 3.42Å; T154-T158 PolarHBondContact O-N 3.37Å; T154-T158 PolarHBondContact O-OG1 3.19Å; T154-T158 VanDerWaalsContact O-OG1 3.11Å
155A97.5Very high96.5Very high1 Ų126.6 Ų26.61%0.00816%0.16CC..Hα-helixtrans-61.3-39.7177.900000113.5P126 K153 L157 T158 A159 I169 I180 V182 V187P126-A155 HydrophobicContact CG-CB 4.32Å; K153-A155 PolarHBondContact O-N 2.88Å; K153-A155 VanDerWaalsContact O-N 3.13Å; A155-L157 VanDerWaalsContact C-N 3.35Å; A155-T158 PolarHBondContact O-N 3.26Å; A155-A159 WeakPolarHBondContact O-CB 3.27Å; A155-A159 PolarHBondContact O-N 3.35Å; A155-I169 HydrophobicContact CB-CB 4.1Å; A155-I169 HydrophobicContact CB-CG1 3.9Å; A155-I169 HydrophobicContact CB-CG2 4.48Å; A155-I169 WeakPolarHBondContact O-CG1 3.18Å; A155-I180 HydrophobicContact CB-CB 3.79Å; A155-I180 HydrophobicContact CB-CD1 4.05Å; A155-I180 HydrophobicContact CB-CG1 4.49Å; A155-I180 HydrophobicContact CB-CG2 3.43Å; A155-I180 VanDerWaalsContact CB-CG2 3.43Å; A155-V182 HydrophobicContact CB-CG2 3.87Å; A155-V187 HydrophobicContact CB-CG2 4.22Å
156V97.5Very high96.4Very high24 Ų2424.5 Ų24.515%0.14515%0.151CC..Hα-helixtrans-65.7-44177.3179.90000109.7K153 T154 T158 A159 F160 V182 G185 V187K153-V156 HydrophobicContact CB-CG2 4.22Å; K153-V156 PolarHBondContact O-N 3.24Å; T154-V156 PolarHBondContact O-N 2.85Å; V156-T158 PolarHBondContact O-N 3.14Å; V156-A159 WeakPolarHBondContact O-CB 3.5Å; V156-A159 PolarHBondContact O-N 2.9Å; V156-F160 WeakPolarHBondContact O-CB 3.24Å; V156-F160 PolarHBondContact O-N 3.37Å; V156-V182 HydrophobicContact CG2-CG1 4.42Å; V156-G185 WeakPolarHBondContact CG1-O 3.41Å; V156-G185 WeakPolarHBondContact CG2-O 3.35Å; V156-V187 HydrophobicContact CG2-CG2 3.74Å
157L97.4Very high96.3Very high1 Ų124.5 Ų24.51%0.00515%0.151CC..Hα-helixtrans-60.7-46.6176.3-59.9178.7000111.5L121 C152 K153 T154 A155 A159 F160 A161 S393 G396 L400L121-L157 HydrophobicContact CD2-CD1 4.16Å; L121-L157 HydrophobicContact CD2-CD2 4.3Å; C152-L157 HydrophobicContact CB-CD1 4.16Å; C152-L157 HydrophobicContact CB-CD2 3.75Å; C152-L157 HydrophobicContact CB-CG 3.98Å; C152-L157 WeakPolarHBondContact SG-CD2 3.43Å; K153-L157 PolarHBondContact O-N 2.86Å; T154-L157 PolarHBondContact O-N 3.42Å; A155-L157 VanDerWaalsContact C-N 3.35Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 2.97Å; L157-F160 WeakPolarHBondContact O-CB 3.44Å; L157-F160 PolarHBondContact O-N 2.91Å; L157-F160 VanDerWaalsContact O-N 3.14Å; L157-A161 PolarHBondContact O-N 3.42Å; L157-S393 VanDerWaalsContact CB-O 3.28Å; L157-S393 WeakPolarHBondContact CB-O 3.39Å; L157-S393 WeakPolarHBondContact CD1-O 3.4Å; L157-G396 VanDerWaalsContact O-CA 3.23Å; L157-G396 WeakPolarHBondContact O-CA 3.24Å; L157-L400 HydrophobicContact CD2-CD2 3.92Å
158T97.1Very high96.4Very high6 Ų623.2 Ų23.24%0.03714%0.142CC..Hα-helixtrans-60.8-40.4175.8-62.50000112.5T154 A155 V156 F160 N162 I169 I349 A351 S392T154-T158 PolarHBondContact O-N 3.37Å; T154-T158 PolarHBondContact O-OG1 3.19Å; T154-T158 VanDerWaalsContact O-OG1 3.11Å; A155-T158 PolarHBondContact O-N 3.26Å; V156-T158 PolarHBondContact O-N 3.14Å; T158-F160 VanDerWaalsContact C-N 3.32Å; T158-N162 PolarHBondContact O-N 3.47Å; T158-N162 PolarHBondContact O-ND2 2.86Å; T158-I169 HydrophobicContact CG2-CD1 4.11Å; T158-I169 HydrophobicContact CG2-CG2 3.6Å; T158-I349 HydrophobicContact CG2-CG2 3.9Å; T158-A351 HydrophobicContact CG2-CB 3.95Å; T158-S392 WeakPolarHBondContact CG2-OG 3.38Å
159A96.5Very high96.5Very high1 Ų123 Ų231%0.00814%0.14CC..Hα-helixtrans-61.4-44.6173.900000110.9A155 V156 L157 N162 G163 R164 I169 V182A155-A159 WeakPolarHBondContact O-CB 3.27Å; A155-A159 PolarHBondContact O-N 3.35Å; V156-A159 WeakPolarHBondContact O-CB 3.5Å; V156-A159 PolarHBondContact O-N 2.9Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 2.97Å; A159-N162 CarbonylContact O-C 3.26Å; A159-N162 PolarHBondContact O-N 2.71Å; A159-N162 VanDerWaalsContact O-N 3.12Å; A159-G163 PolarHBondContact O-N 2.79Å; A159-R164 CarbonylContact C-O 3.58Å; A159-R164 VanDerWaalsContact C-O 3.25Å; A159-R164 VanDerWaalsContact CB-O 3.31Å; A159-R164 WeakPolarHBondContact CB-O 3.36Å; A159-R164 PolarHBondContact O-N 3.4Å; A159-I169 HydrophobicContact CB-CD1 3.95Å; A159-V182 HydrophobicContact CB-CB 4.39Å; A159-V182 HydrophobicContact CB-CG1 4.2Å; A159-V182 HydrophobicContact CB-CG2 4.43Å
160F94.1Very high96.5Very high68 Ų6823 Ų2330%0.29814%0.14SC..Hα-helixtrans-63.5-42.9179.8-155.4-105.3000112.7V156 L157 T158 N162 G163 I399 L400 L403V156-F160 WeakPolarHBondContact O-CB 3.24Å; V156-F160 PolarHBondContact O-N 3.37Å; L157-F160 WeakPolarHBondContact O-CB 3.44Å; L157-F160 PolarHBondContact O-N 2.91Å; L157-F160 VanDerWaalsContact O-N 3.14Å; T158-F160 VanDerWaalsContact C-N 3.32Å; F160-N162 PolarHBondContact O-N 3.01Å; F160-N162 VanDerWaalsContact O-N 3.1Å; F160-G163 PolarHBondContact O-N 2.85Å; F160-I399 HydrophobicContact CD1-CB 4.19Å; F160-I399 HydrophobicContact CD1-CG2 4.09Å; F160-I399 HydrophobicContact CE1-CB 4.14Å; F160-I399 HydrophobicContact CE1-CG2 3.65Å; F160-L400 HydrophobicContact CD1-CB 3.93Å; F160-L400 HydrophobicContact CD1-CD1 4.44Å; F160-L400 HydrophobicContact CE1-CB 3.9Å; F160-L400 HydrophobicContact CE1-CD1 3.99Å; F160-L400 HydrophobicContact CE2-CD1 4.3Å; F160-L400 HydrophobicContact CZ-CD1 3.93Å; F160-L403 HydrophobicContact CE1-CD1 3.7Å; F160-L403 HydrophobicContact CZ-CD1 3.38Å
161A95Very high96.5Very high24 Ų2424.7 Ų24.720%0.19815%0.15CC..Hα-helixtrans-56.8-26.1174.700000113.1L157 S392 I395L157-A161 PolarHBondContact O-N 3.42Å; A161-S392 VanDerWaalsContact CB-O 3.28Å; A161-S392 WeakPolarHBondContact CB-O 3.36Å; A161-I395 HydrophobicContact CB-CB 4.32Å; A161-I395 HydrophobicContact CB-CG2 4.09Å
162N94.4Very high96.5Very high29 Ų2924.6 Ų24.616%0.15515%0.149CC..THydrogen-bonded Turntrans-100.39178.7-71.9-90000113T158 A159 F160 R164 I349 N383T158-N162 PolarHBondContact O-N 3.47Å; T158-N162 PolarHBondContact O-ND2 2.86Å; A159-N162 CarbonylContact O-C 3.26Å; A159-N162 PolarHBondContact O-N 2.71Å; A159-N162 VanDerWaalsContact O-N 3.12Å; F160-N162 PolarHBondContact O-N 3.01Å; F160-N162 VanDerWaalsContact O-N 3.1Å; N162-R164 VanDerWaalsContact C-N 3.33Å; N162-R164 HydrophobicContact CB-CG 4.48Å; N162-R164 PolarHBondContact O-N 3.45Å; N162-I349 HydrophobicContact CB-CD1 3.81Å; N162-I349 HydrophobicContact CB-CG1 4.38Å; N162-I349 WeakPolarHBondContact ND2-CG2 3.4Å; N162-N383 PolarHBondContact OD1-ND2 3.36Å; N162-N383 VanDerWaalsContact OD1-ND2 3.15Å; N162-N383 PolarHBondContact OD1-OD1 3.38Å
163G93.8Very high96.4Very high69 Ų6924.9 Ų24.971%0.71115%0.154SC*.THydrogen-bonded Turntrans64.933.9-179.700000113.5A159 F160A159-G163 PolarHBondContact O-N 2.79Å; F160-G163 PolarHBondContact O-N 2.85Å
164R94.7Very high96.3Very high101 Ų10125.4 Ų25.438%0.38116%0.16SC..  trans-122.8127.9-177.9-62.2-69.5175.9-176-10110.5A159 N162 I349A159-R164 CarbonylContact C-O 3.58Å; A159-R164 VanDerWaalsContact C-O 3.25Å; A159-R164 VanDerWaalsContact CB-O 3.31Å; A159-R164 WeakPolarHBondContact CB-O 3.36Å; A159-R164 PolarHBondContact O-N 3.4Å; N162-R164 VanDerWaalsContact C-N 3.33Å; N162-R164 HydrophobicContact CB-CG 4.48Å; N162-R164 PolarHBondContact O-N 3.45Å; R164-I349 HydrophobicContact CB-CD1 4.16Å; R164-I349 HydrophobicContact CG-CD1 4.12Å
165S93.7Very high96.2Very high68 Ų6825.8 Ų25.848%0.47616%0.163SC..SBendtrans-86.2-26.2167.8580000112.5D184 G185S165-D184 PolarHBondContact O-N 3.02Å; S165-D184 VanDerWaalsContact O-N 3.11Å; S165-G185 PolarHBondContact O-N 3.41Å
166T95.3Very high96.1Very high29 Ų2927.3 Ų27.318%0.17817%0.17CC..SBendtrans-127.8132.3179-66.70000110.2V182 H183 D184T166-V182 CarbonylContact C-O 3.53Å; T166-V182 VanDerWaalsContact CA-O 3.26Å; T166-V182 WeakPolarHBondContact CA-O 3.2Å; T166-H183 PolarHBondContact OG1-ND1 2.94Å; T166-D184 PolarHBondContact OG1-N 3.49Å; T166-D184 PolarHBondContact OG1-OD1 3.09Å
167G97.1Very high96.1Very high0 Ų026.2 Ų26.20%016%0.163CC..EExtended strand (participates in β ladder)trans170.7170.9178.600000112.1V182 L344 S347G167-V182 PolarHBondContact N-O 2.84Å; G167-V182 PolarHBondContact O-N 2.94Å; G167-V182 VanDerWaalsContact O-O 3.04Å; G167-L344 WeakPolarHBondContact O-CD2 3.44Å; G167-S347 CarbonylContact C-O 3.53Å; G167-S347 VanDerWaalsContact CA-O 3.24Å; G167-S347 WeakPolarHBondContact CA-O 3.39Å
168L98.5Very high96.1Very high0 Ų026.4 Ų26.40%016%0.164CC..EExtended strand (participates in β ladder)trans-101.9124.4172.9-173.481000109.5A179 P181 V329 S332 V333 L344 S347 V348 I349L168-A179 HydrophobicContact CD1-CB 4.29Å; L168-A179 HydrophobicContact CD2-CB 4.22Å; L168-A179 HydrophobicContact CG-CB 4.41Å; L168-P181 HydrophobicContact CD1-CB 3.96Å; L168-V329 HydrophobicContact CD2-CB 3.99Å; L168-V329 HydrophobicContact CD2-CG1 3.49Å; L168-V329 VanDerWaalsContact CD2-CG1 3.49Å; L168-V329 HydrophobicContact CD2-CG2 3.98Å; L168-S332 VanDerWaalsContact CD1-OG 3.27Å; L168-S332 WeakPolarHBondContact CD1-OG 3.44Å; L168-V333 HydrophobicContact CD1-CG2 4.27Å; L168-V333 HydrophobicContact CD2-CG2 3.93Å; L168-L344 HydrophobicContact CB-CB 4.42Å; L168-S347 PolarHBondContact N-O 2.92Å; L168-V348 HydrophobicContact CB-CG2 4.38Å; L168-V348 HydrophobicContact CD2-CG1 4.36Å; L168-V348 HydrophobicContact CD2-CG2 4.45Å; L168-V348 CarbonylContact O-C 3.43Å; L168-V348 WeakPolarHBondContact O-CA 3.41Å; L168-I349 PolarHBondContact O-N 2.85Å
169I98.3Very high96.2Very high1 Ų126.1 Ų26.11%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-94114176.1-50.5-50.1000109.1A155 T158 A159 A179 I180 V182 I349A155-I169 HydrophobicContact CB-CB 4.1Å; A155-I169 HydrophobicContact CB-CG1 3.9Å; A155-I169 HydrophobicContact CB-CG2 4.48Å; A155-I169 WeakPolarHBondContact O-CG1 3.18Å; T158-I169 HydrophobicContact CG2-CD1 4.11Å; T158-I169 HydrophobicContact CG2-CG2 3.6Å; A159-I169 HydrophobicContact CB-CD1 3.95Å; I169-A179 CarbonylContact O-C 3.52Å; I169-A179 VanDerWaalsContact O-CA 3.29Å; I169-A179 WeakPolarHBondContact O-CA 3.35Å; I169-I180 PolarHBondContact N-O 3.44Å; I169-I180 PolarHBondContact O-N 3.43Å; I169-V182 HydrophobicContact CG1-CG2 3.94Å; I169-I349 HydrophobicContact CD1-CB 3.76Å; I169-I349 HydrophobicContact CD1-CD1 3.61Å; I169-I349 HydrophobicContact CD1-CG1 4.19Å; I169-I349 HydrophobicContact CD1-CG2 4.3Å
170L98.3Very high96.3Very high0 Ų026.1 Ų26.10%016%0.162CC..EExtended strand (participates in β ladder)trans-97.4105.8167.8178.167.9000109.1T177 T178 V325 V329 I349 V350 A351 L364L170-T177 HydrophobicContact CD1-CG2 3.71Å; L170-T178 CarbonylContact C-O 3.59Å; L170-T178 VanDerWaalsContact CA-O 3.29Å; L170-T178 WeakPolarHBondContact CA-O 3.48Å; L170-V325 HydrophobicContact CD1-CG1 4.03Å; L170-V325 HydrophobicContact CD2-CG1 3.54Å; L170-V325 HydrophobicContact CG-CG1 4.32Å; L170-V329 HydrophobicContact CB-CG2 4.29Å; L170-V329 HydrophobicContact CD1-CG2 3.85Å; L170-V329 HydrophobicContact CD2-CG2 4.03Å; L170-V329 HydrophobicContact CG-CG2 4.28Å; L170-I349 PolarHBondContact N-O 2.55Å; L170-V350 HydrophobicContact CD2-CG2 4.48Å; L170-V350 WeakPolarHBondContact O-CA 3.4Å; L170-A351 PolarHBondContact O-N 2.59Å; L170-L364 HydrophobicContact CD2-CD1 4.18Å; L170-L364 HydrophobicContact CD2-CD2 3.26Å; L170-L364 HydrophobicContact CD2-CG 4.35Å
171D97.1Very high96.5Very high48 Ų4822.9 Ų22.926%0.25715%0.148SC..EExtended strand (participates in β ladder)trans-107.4119.5174.6179.614.6000110.3T177 T178 A351 G352D171-T177 CarbonylContact O-C 3.51Å; D171-T177 VanDerWaalsContact O-CA 3.25Å; D171-T177 WeakPolarHBondContact O-CA 3.41Å; D171-T178 PolarHBondContact N-O 3.04Å; D171-T178 PolarHBondContact O-N 3.03Å; D171-A351 VanDerWaalsContact CA-O 3.31Å; D171-A351 WeakPolarHBondContact CA-O 3.41Å; D171-G352 WeakPolarHBondContact OD1-CA 3.44Å
172S97.2Very high96.6Very high0 Ų021.8 Ų21.80%014%0.139CC..EExtended strand (participates in β ladder)trans-109.690.4171.5-166.90000111T177 A351 G352 G353 N354S172-T177 PolarHBondContact OG-OG1 3.44Å; S172-A351 PolarHBondContact N-O 3.5Å; S172-G352 CarbonylContact O-C 3.59Å; S172-G352 VanDerWaalsContact O-C 3.26Å; S172-G352 WeakPolarHBondContact O-CA 3.49Å; S172-G353 PolarHBondContact O-N 3.32Å; S172-G353 VanDerWaalsContact O-N 3.17Å; S172-N354 PolarHBondContact O-N 2.82Å; S172-N354 PolarHBondContact O-ND2 3.5Å; S172-N354 WeakPolarHBondContact OG-CB 3.35Å; S172-N354 PolarHBondContact OG-ND2 2.85Å; S172-N354 VanDerWaalsContact OG-ND2 3.11Å
173G95.6Very high96.8Very high16 Ų1623.1 Ų23.117%0.16514%0.144CC..  trans-96.2-158.7-176.200000114H176 A198 G199 N354G173-H176 PolarHBondContact N-O 3.15Å; G173-H176 VanDerWaalsContact N-O 3.1Å; G173-A198 WeakPolarHBondContact O-CB 3.3Å; G173-G199 PolarHBondContact O-N 2.91Å; G173-G199 VanDerWaalsContact O-N 3.11Å; G173-N354 PolarHBondContact O-ND2 3.49Å
174A95.6Very high96.8Very high22 Ų2224.7 Ų24.718%0.18214%0.136CC..SBendtrans-73.3-48.2-178.600000112.9Y21 G199 D200Y21-A174 HydrophobicContact CG-CB 4.5Å; A174-G199 CarbonylContact O-C 3.59Å; A174-G199 WeakPolarHBondContact O-CA 3.44Å; A174-G199 PolarHBondContact O-N 2.88Å; A174-D200 PolarHBondContact O-N 3.01Å
175T95.2Very high96.8Very high34 Ų3421.2 Ų21.221%0.20913%0.132CC..SBendtrans-92.8-29.2-172.156.70000113.4S20S20-T175 PolarHBondContact OG-OG1 3.43Å
176H95.4Very high96.9Very high33 Ų3324.6 Ų24.615%0.15314%0.135CC..  trans-150.3152.9-174.8-55.679.8000111.8N90 G173 T178 S195 A198N90-H176 PolarHBondContact OD1-CE1 2.66Å; G173-H176 PolarHBondContact N-O 3.15Å; G173-H176 VanDerWaalsContact N-O 3.1Å; H176-T178 HydrophobicContact CB-CG2 4.08Å; H176-S195 CarbonylContact C-O 3.54Å; H176-S195 VanDerWaalsContact CA-O 3.26Å; H176-S195 WeakPolarHBondContact CA-O 3.26Å; H176-S195 WeakPolarHBondContact CB-O 3.25Å; H176-A198 VanDerWaalsContact CA-CB 3.48Å
177T97.5Very high97Very high1 Ų123.8 Ų23.81%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-99.3133.7158.4-60.30000109.2L170 D171 S172 K194 S195 L197 V325L170-T177 HydrophobicContact CD1-CG2 3.71Å; D171-T177 CarbonylContact O-C 3.51Å; D171-T177 VanDerWaalsContact O-CA 3.25Å; D171-T177 WeakPolarHBondContact O-CA 3.41Å; S172-T177 PolarHBondContact OG-OG1 3.44Å; T177-K194 CarbonylContact O-C 3.47Å; T177-K194 WeakPolarHBondContact O-CA 3.47Å; T177-S195 PolarHBondContact N-O 3.43Å; T177-S195 PolarHBondContact O-N 2.89Å; T177-L197 PolarHBondContact OG1-O 2.8Å; T177-V325 HydrophobicContact CG2-CG2 4.36Å
178T97.8Very high97Very high4 Ų425.2 Ų25.23%0.02514%0.138CC..EExtended strand (participates in β ladder)trans-134.2141.8-175.566.50000111.9W127 L170 D171 H176 I180 V193 K194W127-T178 HydrophobicContact CH2-CG2 3.56Å; W127-T178 HydrophobicContact CZ3-CG2 3.86Å; L170-T178 CarbonylContact C-O 3.59Å; L170-T178 VanDerWaalsContact CA-O 3.29Å; L170-T178 WeakPolarHBondContact CA-O 3.48Å; D171-T178 PolarHBondContact N-O 3.04Å; D171-T178 PolarHBondContact O-N 3.03Å; H176-T178 HydrophobicContact CB-CG2 4.08Å; T178-I180 WeakPolarHBondContact OG1-CD1 3.21Å; T178-V193 CarbonylContact C-O 3.51Å; T178-V193 VanDerWaalsContact CA-O 3.28Å; T178-V193 WeakPolarHBondContact CA-O 3.33Å; T178-K194 HydrophobicContact CG2-CB 4.17Å; T178-K194 HydrophobicContact CG2-CD 4.26Å; T178-K194 HydrophobicContact CG2-CG 3.73Å
179A98.5Very high96.9Very high0 Ų029.6 Ų29.60%016%0.158CC..EExtended strand (participates in β ladder)trans-113.7118.7166.400000108.4L168 I169 V193 V328 V329 S332L168-A179 HydrophobicContact CD1-CB 4.29Å; L168-A179 HydrophobicContact CD2-CB 4.22Å; L168-A179 HydrophobicContact CG-CB 4.41Å; I169-A179 CarbonylContact O-C 3.52Å; I169-A179 VanDerWaalsContact O-CA 3.29Å; I169-A179 WeakPolarHBondContact O-CA 3.35Å; A179-V193 PolarHBondContact N-O 3.25Å; A179-V193 PolarHBondContact O-N 3.05Å; A179-V328 HydrophobicContact CB-CG1 3.55Å; A179-V329 HydrophobicContact CB-CG2 4.41Å; A179-S332 PolarHBondContact O-OG 3.13Å
180I98.5Very high96.7Very high2 Ų234.3 Ų34.31%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-125.5114-175.1-61.2140.6000108.6P126 W127 A155 I169 T178 V187 I192P126-I180 HydrophobicContact CB-CG2 4.48Å; P126-I180 HydrophobicContact CG-CD1 3.82Å; P126-I180 HydrophobicContact CG-CG1 4.23Å; P126-I180 HydrophobicContact CG-CG2 4.17Å; W127-I180 HydrophobicContact CZ3-CD1 4.11Å; A155-I180 HydrophobicContact CB-CB 3.79Å; A155-I180 HydrophobicContact CB-CD1 4.05Å; A155-I180 HydrophobicContact CB-CG1 4.49Å; A155-I180 HydrophobicContact CB-CG2 3.43Å; A155-I180 VanDerWaalsContact CB-CG2 3.43Å; I169-I180 PolarHBondContact N-O 3.44Å; I169-I180 PolarHBondContact O-N 3.43Å; T178-I180 WeakPolarHBondContact OG1-CD1 3.21Å; I180-V187 HydrophobicContact CG2-CB 4.34Å; I180-V187 HydrophobicContact CG2-CG1 3.49Å; I180-V187 VanDerWaalsContact CG2-CG1 3.49Å; I180-V187 HydrophobicContact CG2-CG2 3.97Å; I180-I192 HydrophobicContact CG1-CG1 4.47Å; I180-I192 HydrophobicContact CG1-CG2 4.32Å; I180-I192 HydrophobicContact CG2-CG1 4.33Å
181P98.5Very high96.7Very high0 Ų034.3 Ų34.30%018%0.18CC..EExtended strand (participates in β ladder)trans-77.4127.4176.330.4-32.4000109.9L168 V187 L188 G191 S332 L344L168-P181 HydrophobicContact CD1-CB 3.96Å; P181-V187 WeakPolarHBondContact O-CA 3.39Å; P181-L188 HydrophobicContact CB-CB 4.48Å; P181-L188 HydrophobicContact CB-CD1 4.2Å; P181-L188 HydrophobicContact CB-CG 4.49Å; P181-L188 HydrophobicContact CG-CB 3.91Å; P181-L188 HydrophobicContact CG-CD1 4.41Å; P181-L188 HydrophobicContact CG-CG 4.43Å; P181-L188 PolarHBondContact O-N 3.23Å; P181-G191 WeakPolarHBondContact CD-O 3.44Å; P181-S332 WeakPolarHBondContact CD-OG 3.47Å; P181-L344 HydrophobicContact CB-CD1 3.92Å; P181-L344 HydrophobicContact CB-CD2 3.87Å
182V98.2Very high96.7Very high0 Ų033.4 Ų33.40%018%0.175CC..EExtended strand (participates in β ladder)trans-110.7129.7172.1-176.80000107.3A155 V156 A159 T166 G167 I169 Y186 V187A155-V182 HydrophobicContact CB-CG2 3.87Å; V156-V182 HydrophobicContact CG2-CG1 4.42Å; A159-V182 HydrophobicContact CB-CB 4.39Å; A159-V182 HydrophobicContact CB-CG1 4.2Å; A159-V182 HydrophobicContact CB-CG2 4.43Å; T166-V182 CarbonylContact C-O 3.53Å; T166-V182 VanDerWaalsContact CA-O 3.26Å; T166-V182 WeakPolarHBondContact CA-O 3.2Å; G167-V182 PolarHBondContact N-O 2.84Å; G167-V182 PolarHBondContact O-N 2.94Å; G167-V182 VanDerWaalsContact O-O 3.04Å; I169-V182 HydrophobicContact CG1-CG2 3.94Å; V182-Y186 CarbonylContact C-O 3.6Å; V182-Y186 VanDerWaalsContact CA-O 3.27Å; V182-Y186 WeakPolarHBondContact CA-O 3.3Å; V182-V187 HydrophobicContact CG2-CG2 4.37Å
183H97.3Very high96.8Very high58 Ų5834 Ų3427%0.26918%0.178SC..EExtended strand (participates in β ladder)trans-135.4126.1176.6-175.244.7000109.4T166 G185 Y186 L188T166-H183 PolarHBondContact OG1-ND1 2.94Å; H183-G185 PolarHBondContact O-N 3.33Å; H183-G185 VanDerWaalsContact O-N 3.1Å; H183-Y186 PolarHBondContact N-O 2.97Å; H183-Y186 PolarHBondContact O-N 2.59Å; H183-L188 HydrophobicContact CB-CD1 4.08Å; H183-L188 HydrophobicContact CB-CD2 4.13Å; H183-L188 HydrophobicContact CB-CG 4.22Å
184D94.8Very high96.8Very high101 Ų10137.6 Ų37.654%0.5419%0.19SC..THydrogen-bonded Turntrans48.536.8-176.6-65.1-16.2000114S165 T166 Y186S165-D184 PolarHBondContact O-N 3.02Å; S165-D184 VanDerWaalsContact O-N 3.11Å; T166-D184 PolarHBondContact OG1-N 3.49Å; T166-D184 PolarHBondContact OG1-OD1 3.09Å; D184-Y186 VanDerWaalsContact O-CD2 3.23Å; D184-Y186 WeakPolarHBondContact O-CD2 3.26Å; D184-Y186 WeakPolarHBondContact O-CE2 3.21Å
185G93.7Very high96.7Very high29 Ų2936.7 Ų36.730%0.29918%0.182SC..THydrogen-bonded Turntrans85.50.1-18000000115.1V156 S165 H183V156-G185 WeakPolarHBondContact CG1-O 3.41Å; V156-G185 WeakPolarHBondContact CG2-O 3.35Å; S165-G185 PolarHBondContact O-N 3.41Å; H183-G185 PolarHBondContact O-N 3.33Å; H183-G185 VanDerWaalsContact O-N 3.1Å
186Y95.9Very high96.7Very high138 Ų13838 Ų3854%0.54119%0.191SC..EExtended strand (participates in β ladder)trans-110.3143.1-179.9-60.1-84.2000112V182 H183 D184 P429V182-Y186 CarbonylContact C-O 3.6Å; V182-Y186 VanDerWaalsContact CA-O 3.27Å; V182-Y186 WeakPolarHBondContact CA-O 3.3Å; H183-Y186 PolarHBondContact N-O 2.97Å; H183-Y186 PolarHBondContact O-N 2.59Å; D184-Y186 VanDerWaalsContact O-CD2 3.23Å; D184-Y186 WeakPolarHBondContact O-CD2 3.26Å; D184-Y186 WeakPolarHBondContact O-CE2 3.21Å; Y186-P429 HydrophobicContact CD1-CG 4.18Å; Y186-P429 HydrophobicContact CE1-CB 4.43Å; Y186-P429 HydrophobicContact CE1-CG 3.72Å
187V97.5Very high96.6Very high12 Ų1236.5 Ų36.57%0.07318%0.184CC..EExtended strand (participates in β ladder)trans-77.4128.6170.3174.20000110.2P126 K153 A155 V156 I180 P181 V182 Q189 I192P126-V187 HydrophobicContact CB-CG1 4.12Å; P126-V187 HydrophobicContact CB-CG2 4.45Å; K153-V187 HydrophobicContact CB-CG2 4.06Å; K153-V187 HydrophobicContact CD-CB 3.87Å; K153-V187 HydrophobicContact CD-CG2 3.58Å; K153-V187 HydrophobicContact CG-CG2 4.48Å; A155-V187 HydrophobicContact CB-CG2 4.22Å; V156-V187 HydrophobicContact CG2-CG2 3.74Å; I180-V187 HydrophobicContact CG2-CB 4.34Å; I180-V187 HydrophobicContact CG2-CG1 3.49Å; I180-V187 VanDerWaalsContact CG2-CG1 3.49Å; I180-V187 HydrophobicContact CG2-CG2 3.97Å; P181-V187 WeakPolarHBondContact O-CA 3.39Å; V182-V187 HydrophobicContact CG2-CG2 4.37Å; V187-Q189 PolarHBondContact O-N 3.05Å; V187-I192 HydrophobicContact CG1-CD1 3.92Å; V187-I192 HydrophobicContact CG1-CG1 4.07Å
188L97.4Very high96.5Very high30 Ų3036.5 Ų36.516%0.15718%0.184CC..  trans-83.7100.8170.2-44.3174.7000109.5P181 H183 Q190 G191 I340P181-L188 HydrophobicContact CB-CB 4.48Å; P181-L188 HydrophobicContact CB-CD1 4.2Å; P181-L188 HydrophobicContact CB-CG 4.49Å; P181-L188 HydrophobicContact CG-CB 3.91Å; P181-L188 HydrophobicContact CG-CD1 4.41Å; P181-L188 HydrophobicContact CG-CG 4.43Å; P181-L188 PolarHBondContact O-N 3.23Å; H183-L188 HydrophobicContact CB-CD1 4.08Å; H183-L188 HydrophobicContact CB-CD2 4.13Å; H183-L188 HydrophobicContact CB-CG 4.22Å; L188-Q190 VanDerWaalsContact C-N 3.26Å; L188-Q190 PolarHBondContact O-N 2.9Å; L188-G191 PolarHBondContact O-N 3.43Å; L188-I340 HydrophobicContact CD1-CD1 3.17Å
189Q95.8Very high96.5Very high93 Ų9336.6 Ų36.644%0.43519%0.186SC..G310 helixtrans-56.3-38.4-173.9-70.9-66.9-28.100113.1P126 V187 G191 I192P126-Q189 PolarHBondContact O-NE2 3.35Å; P126-Q189 PolarHBondContact O-OE1 2.9Å; V187-Q189 PolarHBondContact O-N 3.05Å; Q189-G191 PolarHBondContact O-N 2.94Å; Q189-I192 PolarHBondContact O-N 3.2Å; Q189-I192 VanDerWaalsContact OE1-CD1 3.22Å
190Q95.8Very high96.3Very high99 Ų9940.6 Ų40.646%0.46321%0.207SC..G310 helixtrans-65.2-23.1179.371.3-82.72200113.5L188 M335L188-Q190 VanDerWaalsContact C-N 3.26Å; L188-Q190 PolarHBondContact O-N 2.9Å; Q190-M335 WeakPolarHBondContact O-CE 3.42Å
191G97.1Very high96.1Very high0 Ų041.2 Ų41.20%021%0.21CC..G310 helixtrans-97.35.2-177.900000114.3P181 L188 Q189 V193 S332P181-G191 WeakPolarHBondContact CD-O 3.44Å; L188-G191 PolarHBondContact O-N 3.43Å; Q189-G191 PolarHBondContact O-N 2.94Å; G191-V193 PolarHBondContact O-N 3.3Å; G191-S332 WeakPolarHBondContact O-CA 3.28Å; G191-S332 VanDerWaalsContact O-CB 3.27Å; G191-S332 WeakPolarHBondContact O-CB 3.24Å; G191-S332 PolarHBondContact O-OG 3.3Å
192I97.8Very high96Very high29 Ų2941.2 Ų41.215%0.14921%0.21CC..  trans-70.9117.9178.3-61.9171000109.5P126 W127 I180 V187 Q189 K194P126-I192 HydrophobicContact CB-CD1 3.84Å; W127-I192 HydrophobicContact CE3-CG2 3.92Å; W127-I192 HydrophobicContact CZ3-CG2 4.34Å; I180-I192 HydrophobicContact CG1-CG1 4.47Å; I180-I192 HydrophobicContact CG1-CG2 4.32Å; I180-I192 HydrophobicContact CG2-CG1 4.33Å; V187-I192 HydrophobicContact CG1-CD1 3.92Å; V187-I192 HydrophobicContact CG1-CG1 4.07Å; Q189-I192 PolarHBondContact O-N 3.2Å; Q189-I192 VanDerWaalsContact OE1-CD1 3.22Å; I192-K194 HydrophobicContact CG2-CG 4.19Å
193V97.9Very high96Very high12 Ų1241.6 Ų41.67%0.07321%0.212CC..EExtended strand (participates in β ladder)trans-118.9135.8174.4-1780000109.5T178 A179 G191 L323 V328 T331 M335T178-V193 CarbonylContact C-O 3.51Å; T178-V193 VanDerWaalsContact CA-O 3.28Å; T178-V193 WeakPolarHBondContact CA-O 3.33Å; A179-V193 PolarHBondContact N-O 3.25Å; A179-V193 PolarHBondContact O-N 3.05Å; G191-V193 PolarHBondContact O-N 3.3Å; V193-L323 HydrophobicContact CG1-CD1 3.74Å; V193-V328 HydrophobicContact CB-CG1 4.21Å; V193-V328 HydrophobicContact CG1-CB 4.35Å; V193-V328 HydrophobicContact CG1-CG1 4Å; V193-V328 HydrophobicContact CG1-CG2 4.41Å; V193-T331 HydrophobicContact CG1-CG2 4.44Å; V193-T331 HydrophobicContact CG2-CG2 3.93Å; V193-M335 HydrophobicContact CG2-SD 3.67Å
194K95.6Very high95.9Very high93 Ų9342.9 Ų42.940%0.40422%0.219SC..EExtended strand (participates in β ladder)trans-128.4142.5-178.1-56.1-173.1-72.7-1730110.5W127 T177 T178 I192W127-K194 HydrophobicContact CD2-CD 3.72Å; W127-K194 HydrophobicContact CE3-CD 3.68Å; W127-K194 HydrophobicContact CE3-CG 4.42Å; W127-K194 HydrophobicContact CG-CD 4.42Å; W127-K194 HydrophobicContact CH2-CD 3.98Å; W127-K194 HydrophobicContact CZ2-CD 4Å; W127-K194 HydrophobicContact CZ3-CD 3.78Å; W127-K194 HydrophobicContact CZ3-CG 4.26Å; T177-K194 CarbonylContact O-C 3.47Å; T177-K194 WeakPolarHBondContact O-CA 3.47Å; T178-K194 HydrophobicContact CG2-CB 4.17Å; T178-K194 HydrophobicContact CG2-CD 4.26Å; T178-K194 HydrophobicContact CG2-CG 3.73Å; I192-K194 HydrophobicContact CG2-CG 4.19Å
195S95.3Very high95.9Very high2 Ų239.2 Ų39.21%0.01420%0.199CC..EExtended strand (participates in β ladder)trans-128.6136.9171-175.10000109.2H176 T177 L197 L323H176-S195 CarbonylContact C-O 3.54Å; H176-S195 VanDerWaalsContact CA-O 3.26Å; H176-S195 WeakPolarHBondContact CA-O 3.26Å; H176-S195 WeakPolarHBondContact CB-O 3.25Å; T177-S195 PolarHBondContact N-O 3.43Å; T177-S195 PolarHBondContact O-N 2.89Å; S195-L197 PolarHBondContact O-N 3.35Å; S195-L197 WeakPolarHBondContact OG-CG 3.35Å; S195-L197 PolarHBondContact OG-N 2.84Å; S195-L323 WeakPolarHBondContact CB-O 3.38Å; S195-L323 PolarHBondContact OG-O 3.21Å
196P93.8Very high96Very high61 Ų6137.9 Ų37.940%0.39619%0.185SC..SBendtrans-75.9-3.4174.633.8-36000112.6A198 M322P196-A198 VanDerWaalsContact C-N 3.34Å; P196-A198 PolarHBondContact O-N 2.79Å; P196-M322 HydrophobicContact CG-CE 3.58Å; P196-M322 HydrophobicContact CG-SD 3.66Å
197L94.4Very high96Very high3 Ų334.3 Ų34.32%0.01617%0.17CC..  trans-73.287.1176.8-58.2173.8000109.6T177 S195 F201 L308 P311 L317 M322T177-L197 PolarHBondContact OG1-O 2.8Å; S195-L197 PolarHBondContact O-N 3.35Å; S195-L197 WeakPolarHBondContact OG-CG 3.35Å; S195-L197 PolarHBondContact OG-N 2.84Å; L197-F201 HydrophobicContact CB-CD1 4.39Å; L197-F201 HydrophobicContact CD2-CD1 4.02Å; L197-F201 HydrophobicContact CD2-CD2 4.03Å; L197-F201 HydrophobicContact CD2-CE1 4.1Å; L197-F201 HydrophobicContact CD2-CE2 4.14Å; L197-F201 HydrophobicContact CD2-CG 3.99Å; L197-F201 HydrophobicContact CD2-CZ 4.16Å; L197-L308 HydrophobicContact CB-CD2 4.24Å; L197-L308 WeakPolarHBondContact O-CD2 3.46Å; L197-P311 HydrophobicContact CD1-CB 3.7Å; L197-P311 HydrophobicContact CD1-CG 3.97Å; L197-L317 HydrophobicContact CD2-CD1 3.82Å; L197-M322 HydrophobicContact CD1-CB 3.92Å; L197-M322 HydrophobicContact CD2-SD 3.69Å; L197-M322 HydrophobicContact CG-CB 4.3Å; L197-M322 HydrophobicContact CG-SD 4.02Å
198A95.6Very high95.9Very high0 Ų036.4 Ų36.40%018%0.18CC..SBendtrans-146.9-152.8-173.400000111.4G173 H176 P196 D200 F201 I202G173-A198 WeakPolarHBondContact O-CB 3.3Å; H176-A198 VanDerWaalsContact CA-CB 3.48Å; P196-A198 VanDerWaalsContact C-N 3.34Å; P196-A198 PolarHBondContact O-N 2.79Å; A198-D200 PolarHBondContact O-N 3.1Å; A198-F201 WeakPolarHBondContact O-CB 3.39Å; A198-F201 PolarHBondContact O-N 3.1Å; A198-I202 WeakPolarHBondContact O-CG1 3.34Å; A198-I202 PolarHBondContact O-N 2.89Å
199G96.2Very high95.7Very high6 Ų635.9 Ų35.96%0.06218%0.177CC..Hα-helixtrans-63.1-39.6-173.400000114.1G173 A174 F201 I202 T203 N354G173-G199 PolarHBondContact O-N 2.91Å; G173-G199 VanDerWaalsContact O-N 3.11Å; A174-G199 CarbonylContact O-C 3.59Å; A174-G199 WeakPolarHBondContact O-CA 3.44Å; A174-G199 PolarHBondContact O-N 2.88Å; G199-F201 VanDerWaalsContact C-N 3.31Å; G199-F201 PolarHBondContact O-N 2.81Å; G199-I202 PolarHBondContact O-N 3.11Å; G199-T203 WeakPolarHBondContact O-CB 3.34Å; G199-T203 PolarHBondContact O-N 2.83Å; G199-T203 PolarHBondContact O-OG1 3.1Å; G199-N354 WeakPolarHBondContact CA-OD1 3.45Å; G199-N354 PolarHBondContact N-ND2 2.89Å
200D95.3Very high95.8Very high84 Ų8431.6 Ų31.645%0.44916%0.157SC..Hα-helixtrans-65.1-38.3177.2-69.1-17.8000111.1A174 A198 T203 M204A174-D200 PolarHBondContact O-N 3.01Å; A198-D200 PolarHBondContact O-N 3.1Å; D200-T203 WeakPolarHBondContact O-CB 3.4Å; D200-T203 PolarHBondContact O-N 2.65Å; D200-M204 PolarHBondContact O-N 2.83Å
201F94.9Very high95.7Very high15 Ų1533.7 Ų33.77%0.06617%0.166CC..Hα-helixtrans-62.9-49.4174.3165.4-105000111.4L197 A198 G199 T203 M204 Q205 L308 V314 L317L197-F201 HydrophobicContact CB-CD1 4.39Å; L197-F201 HydrophobicContact CD2-CD1 4.02Å; L197-F201 HydrophobicContact CD2-CD2 4.03Å; L197-F201 HydrophobicContact CD2-CE1 4.1Å; L197-F201 HydrophobicContact CD2-CE2 4.14Å; L197-F201 HydrophobicContact CD2-CG 3.99Å; L197-F201 HydrophobicContact CD2-CZ 4.16Å; A198-F201 WeakPolarHBondContact O-CB 3.39Å; A198-F201 PolarHBondContact O-N 3.1Å; G199-F201 VanDerWaalsContact C-N 3.31Å; G199-F201 PolarHBondContact O-N 2.81Å; F201-T203 PolarHBondContact O-N 3.01Å; F201-M204 HydrophobicContact CD2-CE 3.99Å; F201-M204 HydrophobicContact CE2-CE 4.22Å; F201-M204 WeakPolarHBondContact O-CB 3.22Å; F201-M204 PolarHBondContact O-N 2.82Å; F201-M204 VanDerWaalsContact O-N 3.14Å; F201-Q205 HydrophobicContact CD2-CG 4.17Å; F201-Q205 HydrophobicContact CE1-CG 4.09Å; F201-Q205 HydrophobicContact CE2-CG 3.54Å; F201-Q205 HydrophobicContact CZ-CG 3.5Å; F201-Q205 WeakPolarHBondContact O-CG 3.4Å; F201-Q205 PolarHBondContact O-N 3.37Å; F201-L308 HydrophobicContact CD1-CD2 4.02Å; F201-L308 HydrophobicContact CE1-CD2 4.45Å; F201-V314 HydrophobicContact CE2-CG1 3.43Å; F201-V314 VanDerWaalsContact CE2-CG1 3.43Å; F201-V314 HydrophobicContact CE2-CG2 4.42Å; F201-V314 HydrophobicContact CZ-CB 4.36Å; F201-V314 HydrophobicContact CZ-CG1 3.59Å; F201-V314 HydrophobicContact CZ-CG2 3.76Å; F201-L317 HydrophobicContact CE2-CD1 4.43Å
202I96.1Very high95.6Very high1 Ų139.1 Ų39.11%0.00519%0.192CC..Hα-helixtrans-59.1-39.8176.1-60.7168.6000110.3A198 G199 M204 Q205 C206 Q263 L267 I304 L308 N354 I357A198-I202 WeakPolarHBondContact O-CG1 3.34Å; A198-I202 PolarHBondContact O-N 2.89Å; G199-I202 PolarHBondContact O-N 3.11Å; I202-M204 VanDerWaalsContact C-N 3.34Å; I202-M204 PolarHBondContact O-N 3.04Å; I202-Q205 PolarHBondContact O-N 2.84Å; I202-C206 PolarHBondContact O-N 2.97Å; I202-C206 PolarHBondContact O-SG 2.71Å; I202-Q263 HydrophobicContact CG2-CG 3.76Å; I202-L267 HydrophobicContact CG2-CD1 3.44Å; I202-L267 VanDerWaalsContact CG2-CD1 3.44Å; I202-I304 HydrophobicContact CG2-CG2 3.77Å; I202-L308 HydrophobicContact CD1-CD1 3.73Å; I202-L308 HydrophobicContact CD1-CD2 4.07Å; I202-L308 HydrophobicContact CD1-CG 4.23Å; I202-L308 HydrophobicContact CG1-CD1 4.35Å; I202-L308 HydrophobicContact CG1-CD2 4.01Å; I202-L308 HydrophobicContact CG1-CG 4.33Å; I202-N354 HydrophobicContact CD1-CB 4.35Å; I202-I357 HydrophobicContact CD1-CD1 3.68Å
203T96.9Very high95.5Very high7 Ų740.9 Ų40.94%0.04320%0.2CC..Hα-helixtrans-61.8-41.8177.6-57.60000111.8G199 D200 F201 R207 N256 I259 Q263G199-T203 WeakPolarHBondContact O-CB 3.34Å; G199-T203 PolarHBondContact O-N 2.83Å; G199-T203 PolarHBondContact O-OG1 3.1Å; D200-T203 WeakPolarHBondContact O-CB 3.4Å; D200-T203 PolarHBondContact O-N 2.65Å; F201-T203 PolarHBondContact O-N 3.01Å; T203-R207 WeakPolarHBondContact O-CG 3.25Å; T203-R207 PolarHBondContact O-N 3.19Å; T203-R207 VanDerWaalsContact O-N 3.14Å; T203-N256 HydrophobicContact CG2-CB 4.39Å; T203-N256 WeakPolarHBondContact CG2-OD1 3.37Å; T203-I259 HydrophobicContact CG2-CB 4.25Å; T203-I259 HydrophobicContact CG2-CD1 4.07Å; T203-I259 HydrophobicContact CG2-CG2 3.82Å; T203-Q263 PolarHBondContact OG1-NE2 3.22Å
204M95.1Very high95.4Very high85 Ų8547.4 Ų47.442%0.41924%0.235SC..Hα-helixtrans-63.5-45.2173.8-176.2-175.876.500111.7D200 F201 I202 C206 R207 E208D200-M204 PolarHBondContact O-N 2.83Å; F201-M204 HydrophobicContact CD2-CE 3.99Å; F201-M204 HydrophobicContact CE2-CE 4.22Å; F201-M204 WeakPolarHBondContact O-CB 3.22Å; F201-M204 PolarHBondContact O-N 2.82Å; F201-M204 VanDerWaalsContact O-N 3.14Å; I202-M204 VanDerWaalsContact C-N 3.34Å; I202-M204 PolarHBondContact O-N 3.04Å; M204-C206 PolarHBondContact O-N 3.03Å; M204-R207 WeakPolarHBondContact O-CB 3.48Å; M204-R207 PolarHBondContact O-N 3.37Å; M204-R207 VanDerWaalsContact O-N 3.13Å; M204-E208 PolarHBondContact O-N 3.06Å
205Q94.8Very high95.4Very high25 Ų2543.6 Ų43.612%0.11722%0.218CC..Hα-helixtrans-64.4-38.8178.8-65.7-60.6-84.200112.7F201 I202 R207 E208 L209 I304F201-Q205 HydrophobicContact CD2-CG 4.17Å; F201-Q205 HydrophobicContact CE1-CG 4.09Å; F201-Q205 HydrophobicContact CE2-CG 3.54Å; F201-Q205 HydrophobicContact CZ-CG 3.5Å; F201-Q205 WeakPolarHBondContact O-CG 3.4Å; F201-Q205 PolarHBondContact O-N 3.37Å; I202-Q205 PolarHBondContact O-N 2.84Å; Q205-R207 VanDerWaalsContact C-N 3.32Å; Q205-R207 PolarHBondContact O-N 3.47Å; Q205-E208 PolarHBondContact NE2-OE2 3.49Å; Q205-E208 PolarHBondContact O-N 3.46Å; Q205-L209 PolarHBondContact O-N 3.36Å; Q205-I304 HydrophobicContact CB-CG1 4.36Å; Q205-I304 HydrophobicContact CB-CG2 3.92Å
206C96.8Very high95.4Very high0 Ų048.8 Ų48.80%024%0.243CC..Hα-helixtrans-62.1-38.9172.1-66.40000112I202 M204 E208 L209 F210 I259 F262I202-C206 PolarHBondContact O-N 2.97Å; I202-C206 PolarHBondContact O-SG 2.71Å; M204-C206 PolarHBondContact O-N 3.03Å; C206-E208 VanDerWaalsContact C-N 3.35Å; C206-L209 PolarHBondContact O-N 3.17Å; C206-F210 HydrophobicContact CB-CE2 4.47Å; C206-F210 HydrophobicContact CB-CZ 4.37Å; C206-F210 WeakPolarHBondContact O-CD1 3.45Å; C206-F210 WeakPolarHBondContact O-CD2 3.16Å; C206-F210 WeakPolarHBondContact O-CG 3.29Å; C206-F210 PolarHBondContact O-N 2.97Å; C206-I259 HydrophobicContact CB-CG2 3.48Å; C206-I259 VanDerWaalsContact CB-CG2 3.48Å; C206-F262 HydrophobicContact CB-CD1 4.48Å
207R96Very high95.5Very high63 Ų6347.3 Ų47.324%0.23823%0.231CC..Hα-helixtrans-63.3-41.5176.4-75176.4172.6-77.74.4112T203 M204 Q205 F210 Q211 N252 N256 I259T203-R207 WeakPolarHBondContact O-CG 3.25Å; T203-R207 PolarHBondContact O-N 3.19Å; T203-R207 VanDerWaalsContact O-N 3.14Å; M204-R207 WeakPolarHBondContact O-CB 3.48Å; M204-R207 PolarHBondContact O-N 3.37Å; M204-R207 VanDerWaalsContact O-N 3.13Å; Q205-R207 VanDerWaalsContact C-N 3.32Å; Q205-R207 PolarHBondContact O-N 3.47Å; R207-F210 PolarHBondContact O-N 3.39Å; R207-Q211 WeakPolarHBondContact O-CG 3.48Å; R207-Q211 PolarHBondContact O-N 3.13Å; R207-Q211 VanDerWaalsContact O-N 3.09Å; R207-N252 PolarHBondContact NH2-O 2.72Å; R207-N256 PolarHBondContact NE-OD1 3.04Å; R207-N256 VanDerWaalsContact NE-OD1 3.15Å; R207-N256 PolarHBondContact NH2-OD1 3.11Å; R207-I259 HydrophobicContact CG-CD1 3.35Å; R207-I259 HydrophobicContact CG-CG1 4.4Å
208E94.4Very high95.6Very high57 Ų5747.2 Ų47.227%0.26623%0.231SC..Hα-helixtrans-62.4-46.2175-70.9175.8-176.700110.8M204 Q205 C206 F210 Q211 E212M204-E208 PolarHBondContact O-N 3.06Å; Q205-E208 PolarHBondContact NE2-OE2 3.49Å; Q205-E208 PolarHBondContact O-N 3.46Å; C206-E208 VanDerWaalsContact C-N 3.35Å; E208-F210 VanDerWaalsContact C-N 3.33Å; E208-F210 PolarHBondContact O-N 2.8Å; E208-Q211 WeakPolarHBondContact O-CB 3.43Å; E208-Q211 PolarHBondContact O-N 2.68Å; E208-Q211 VanDerWaalsContact O-N 3.14Å; E208-E212 WeakPolarHBondContact O-CG 3.5Å; E208-E212 PolarHBondContact O-N 3.43Å
209L95.1Very high95.7Very high18 Ų1847.2 Ų47.29%0.09423%0.231CC..Hα-helixtrans-56.1-47.2175.5177.665.3000111.8Q205 C206 Q211 E212 M213 F262 F297 E300 I304Q205-L209 PolarHBondContact O-N 3.36Å; C206-L209 PolarHBondContact O-N 3.17Å; L209-Q211 VanDerWaalsContact C-N 3.28Å; L209-Q211 PolarHBondContact O-N 3.06Å; L209-E212 PolarHBondContact O-N 3.44Å; L209-M213 HydrophobicContact CD1-CG 4.04Å; L209-M213 HydrophobicContact CD1-SD 3.62Å; L209-M213 HydrophobicContact CD2-SD 4.27Å; L209-M213 HydrophobicContact CG-CG 4.45Å; L209-M213 HydrophobicContact CG-SD 3.78Å; L209-M213 WeakPolarHBondContact O-CB 3.31Å; L209-M213 WeakPolarHBondContact O-CG 3.03Å; L209-M213 PolarHBondContact O-N 3.34Å; L209-F262 HydrophobicContact CD2-CZ 4.47Å; L209-F297 HydrophobicContact CD2-CD1 4.37Å; L209-F297 HydrophobicContact CD2-CE1 4.32Å; L209-E300 HydrophobicContact CD1-CB 3.92Å; L209-E300 HydrophobicContact CD1-CG 3.99Å; L209-E300 HydrophobicContact CD2-CB 4.25Å; L209-E300 HydrophobicContact CD2-CG 3.86Å; L209-I304 HydrophobicContact CB-CD1 4.22Å; L209-I304 HydrophobicContact CD2-CD1 3.63Å
210F96.4Very high95.8Very high4 Ų450.1 Ų50.12%0.01825%0.249CC..Hα-helixtrans-63.2-35.9179.8-62-16.5000112.1C206 R207 E208 N214 I215 L217 I259 F262 F289 F297C206-F210 HydrophobicContact CB-CE2 4.47Å; C206-F210 HydrophobicContact CB-CZ 4.37Å; C206-F210 WeakPolarHBondContact O-CD1 3.45Å; C206-F210 WeakPolarHBondContact O-CD2 3.16Å; C206-F210 WeakPolarHBondContact O-CG 3.29Å; C206-F210 PolarHBondContact O-N 2.97Å; R207-F210 PolarHBondContact O-N 3.39Å; E208-F210 VanDerWaalsContact C-N 3.33Å; E208-F210 PolarHBondContact O-N 2.8Å; F210-N214 PolarHBondContact O-N 2.9Å; F210-N214 VanDerWaalsContact O-N 3.11Å; F210-I215 HydrophobicContact CB-CB 4.09Å; F210-I215 HydrophobicContact CD1-CD1 4.15Å; F210-I215 PolarHBondContact O-N 2.66Å; F210-L217 HydrophobicContact CD2-CD1 4.21Å; F210-L217 HydrophobicContact CE2-CD1 4.13Å; F210-I259 HydrophobicContact CD2-CG1 4.43Å; F210-I259 HydrophobicContact CE2-CG1 3.83Å; F210-F262 HydrophobicContact CE1-CD1 4.15Å; F210-F262 HydrophobicContact CE1-CD2 4.22Å; F210-F262 AromaticContact CE1-CE1 3.97Å; F210-F262 HydrophobicContact CE1-CE1 3.97Å; F210-F262 HydrophobicContact CE1-CE2 4.03Å; F210-F262 HydrophobicContact CE1-CG 4.28Å; F210-F262 AromaticContact CE1-CZ 3.9Å; F210-F262 HydrophobicContact CE1-CZ 3.9Å; F210-F262 HydrophobicContact CZ-CB 4.24Å; F210-F262 AromaticContact CZ-CD1 3.68Å; F210-F262 HydrophobicContact CZ-CD1 3.68Å; F210-F262 AromaticContact CZ-CD2 3.99Å; F210-F262 HydrophobicContact CZ-CD2 3.99Å; F210-F262 AromaticContact CZ-CE1 3.97Å; F210-F262 HydrophobicContact CZ-CE1 3.97Å; F210-F262 HydrophobicContact CZ-CE2 4.25Å; F210-F262 AromaticContact CZ-CG 3.69Å; F210-F262 HydrophobicContact CZ-CG 3.69Å; F210-F262 HydrophobicContact CZ-CZ 4.25Å; F210-F289 HydrophobicContact CD1-CZ 4.21Å; F210-F289 HydrophobicContact CD2-CE1 4.39Å; F210-F289 HydrophobicContact CE1-CE1 4.11Å; F210-F289 AromaticContact CE1-CZ 3.73Å; F210-F289 HydrophobicContact CE1-CZ 3.73Å; F210-F289 AromaticContact CE2-CE1 3.87Å; F210-F289 HydrophobicContact CE2-CE1 3.87Å; F210-F289 HydrophobicContact CE2-CZ 4.34Å; F210-F289 AromaticContact CZ-CE1 3.72Å; F210-F289 HydrophobicContact CZ-CE1 3.72Å; F210-F289 AromaticContact CZ-CZ 3.8Å; F210-F289 HydrophobicContact CZ-CZ 3.8Å; F210-F297 HydrophobicContact CE1-CE1 4.47Å
211Q95.3Very high95.8Very high143 Ų14347.2 Ų47.267%0.66823%0.231SC*.Hα-helixtrans-66.8-44.4173.6-70.8172.9800111.8R207 E208 L209 M213 N214R207-Q211 WeakPolarHBondContact O-CG 3.48Å; R207-Q211 PolarHBondContact O-N 3.13Å; R207-Q211 VanDerWaalsContact O-N 3.09Å; E208-Q211 WeakPolarHBondContact O-CB 3.43Å; E208-Q211 PolarHBondContact O-N 2.68Å; E208-Q211 VanDerWaalsContact O-N 3.14Å; L209-Q211 VanDerWaalsContact C-N 3.28Å; L209-Q211 PolarHBondContact O-N 3.06Å; Q211-M213 VanDerWaalsContact C-N 3.28Å; Q211-M213 PolarHBondContact O-N 2.94Å; Q211-N214 PolarHBondContact O-N 3.05Å; Q211-N214 VanDerWaalsContact O-N 3.12Å
212E94.8Very high95.9Very high113 Ų11347.1 Ų47.153%0.52823%0.231SC..Hα-helixtrans-61.1-37.6177.6-70.8-179.6-178.900112E208 L209 N214 K315E208-E212 WeakPolarHBondContact O-CG 3.5Å; E208-E212 PolarHBondContact O-N 3.43Å; L209-E212 PolarHBondContact O-N 3.44Å; E212-N214 VanDerWaalsContact C-N 3.32Å; E212-K315 IonicContact OE1-NZ 3.17Å; E212-K315 PolarHBondContact OE1-NZ 3.22Å; E212-K315 IonicContact OE2-NZ 2.79Å
213M94.9Very high96Very high67 Ų6748.1 Ų48.133%0.3324%0.236SC..THydrogen-bonded Turntrans-85.51.2177.9-64.2178.676.100113.8L209 Q211 I215 F297L209-M213 HydrophobicContact CD1-CG 4.04Å; L209-M213 HydrophobicContact CD1-SD 3.62Å; L209-M213 HydrophobicContact CD2-SD 4.27Å; L209-M213 HydrophobicContact CG-CG 4.45Å; L209-M213 HydrophobicContact CG-SD 3.78Å; L209-M213 WeakPolarHBondContact O-CB 3.31Å; L209-M213 WeakPolarHBondContact O-CG 3.03Å; L209-M213 PolarHBondContact O-N 3.34Å; Q211-M213 VanDerWaalsContact C-N 3.28Å; Q211-M213 PolarHBondContact O-N 2.94Å; M213-I215 HydrophobicContact CB-CD1 3.77Å; M213-I215 HydrophobicContact CB-CG1 3.77Å; M213-I215 HydrophobicContact CE-CD1 4.15Å; M213-I215 PolarHBondContact O-N 3.47Å; M213-I215 HydrophobicContact SD-CD1 4.03Å; M213-F297 HydrophobicContact CE-CD1 4.35Å; M213-F297 HydrophobicContact CE-CE1 3.99Å; M213-F297 HydrophobicContact SD-CD1 4.35Å; M213-F297 HydrophobicContact SD-CE1 3.86Å
214N95.3Very high96Very high149 Ų14950.6 Ų50.680%0.79726%0.258SS*.THydrogen-bonded Turntrans55.234.5-173.9-56.7-72000114.1F210 Q211 E212F210-N214 PolarHBondContact O-N 2.9Å; F210-N214 VanDerWaalsContact O-N 3.11Å; Q211-N214 PolarHBondContact O-N 3.05Å; Q211-N214 VanDerWaalsContact O-N 3.12Å; E212-N214 VanDerWaalsContact C-N 3.32Å
215I96Very high96.1Very high12 Ų1249.2 Ų49.26%0.06226%0.256CS..  trans-84.9117.1176-59174.6000109F210 M213 L217 F289 Y293 F297F210-I215 HydrophobicContact CB-CB 4.09Å; F210-I215 HydrophobicContact CD1-CD1 4.15Å; F210-I215 PolarHBondContact O-N 2.66Å; M213-I215 HydrophobicContact CB-CD1 3.77Å; M213-I215 HydrophobicContact CB-CG1 3.77Å; M213-I215 HydrophobicContact CE-CD1 4.15Å; M213-I215 PolarHBondContact O-N 3.47Å; M213-I215 HydrophobicContact SD-CD1 4.03Å; I215-L217 PolarHBondContact O-N 2.76Å; I215-F289 HydrophobicContact CD1-CE2 4.29Å; I215-F289 HydrophobicContact CD1-CZ 4.26Å; I215-F289 HydrophobicContact CG2-CD1 4.41Å; I215-F289 HydrophobicContact CG2-CD2 4.36Å; I215-F289 HydrophobicContact CG2-CE1 3.99Å; I215-F289 HydrophobicContact CG2-CE2 3.92Å; I215-F289 HydrophobicContact CG2-CZ 3.73Å; I215-Y293 HydrophobicContact CB-CE1 4.35Å; I215-Y293 HydrophobicContact CD1-CE1 3.82Å; I215-Y293 HydrophobicContact CG1-CD1 4.41Å; I215-Y293 HydrophobicContact CG1-CE1 3.61Å; I215-Y293 HydrophobicContact CG2-CD1 3.89Å; I215-Y293 HydrophobicContact CG2-CE1 3.96Å; I215-F297 HydrophobicContact CD1-CE1 4.2Å; I215-F297 HydrophobicContact CD1-CZ 3.97Å
216E94.8Very high96.2Very high112 Ų11252.2 Ų52.252%0.52327%0.269SS..  trans-74.6116173.8-169.5-169.2179.300110.5V218E216-V218 HydrophobicContact CB-CG2 4.3Å; E216-V218 HydrophobicContact CG-CG2 3.7Å; E216-V218 PolarHBondContact O-N 2.87Å; E216-V218 VanDerWaalsContact O-N 3.12Å
217L96.1Very high96.2Very high29 Ų2957.5 Ų57.515%0.15229%0.294CS..  trans-78.996.3176.7-172.765.2000110.9F210 I215 P219 C255 V258 I259F210-L217 HydrophobicContact CD2-CD1 4.21Å; F210-L217 HydrophobicContact CE2-CD1 4.13Å; I215-L217 PolarHBondContact O-N 2.76Å; L217-P219 WeakPolarHBondContact O-CD 3.23Å; L217-C255 HydrophobicContact CD2-CB 3.59Å; L217-C255 HydrophobicContact CG-CB 4.21Å; L217-V258 HydrophobicContact CD1-CB 4Å; L217-V258 HydrophobicContact CD1-CG1 3.71Å; L217-I259 HydrophobicContact CD1-CG1 4.18Å; L217-I259 HydrophobicContact CD2-CD1 3.53Å; L217-I259 HydrophobicContact CD2-CG1 3.8Å
218V97.5Very high96.2Very high1 Ų159.5 Ų59.51%0.00632%0.324CS..  trans-105.6110.9-179.2-176.10000110.9E216 M222 I223 W237 N291E216-V218 HydrophobicContact CB-CG2 4.3Å; E216-V218 HydrophobicContact CG-CG2 3.7Å; E216-V218 PolarHBondContact O-N 2.87Å; E216-V218 VanDerWaalsContact O-N 3.12Å; V218-M222 HydrophobicContact CG1-CB 4.18Å; V218-M222 HydrophobicContact CG1-CE 4.45Å; V218-I223 HydrophobicContact CG1-CD1 3.89Å; V218-I223 HydrophobicContact CG1-CG1 3.76Å; V218-W237 HydrophobicContact CB-CZ2 4.33Å; V218-W237 HydrophobicContact CG1-CE3 4.36Å; V218-W237 HydrophobicContact CG1-CH2 3.5Å; V218-W237 VanDerWaalsContact CG1-CH2 3.5Å; V218-W237 HydrophobicContact CG1-CZ2 3.66Å; V218-W237 HydrophobicContact CG1-CZ3 3.87Å; V218-W237 HydrophobicContact CG2-CH2 4.33Å; V218-W237 HydrophobicContact CG2-CZ2 3.71Å; V218-N291 HydrophobicContact CB-CB 3.95Å; V218-N291 HydrophobicContact CG1-CB 4.23Å; V218-N291 HydrophobicContact CG2-CB 4.34Å
219P97.5Very high96.3Very high0 Ų058.3 Ų58.30%032%0.32CS..  trans-73.1152.117828.4-35000113L217 Y221 M222 M254 V258L217-P219 WeakPolarHBondContact O-CD 3.23Å; P219-Y221 HydrophobicContact CB-CD1 3.86Å; P219-Y221 HydrophobicContact CB-CE1 3.92Å; P219-Y221 HydrophobicContact CG-CD1 3.71Å; P219-Y221 HydrophobicContact CG-CE1 3.29Å; P219-Y221 PolarHBondContact O-N 2.91Å; P219-M222 VanDerWaalsContact CD-SD 3.59Å; P219-M222 HydrophobicContact CG-CG 4.42Å; P219-M222 HydrophobicContact CG-SD 3.57Å; P219-M222 VanDerWaalsContact CG-SD 3.57Å; P219-M222 PolarHBondContact O-N 3.44Å; P219-M222 VanDerWaalsContact O-N 3.13Å; P219-M254 HydrophobicContact CB-CB 3.89Å; P219-M254 HydrophobicContact CG-CB 4.43Å; P219-V258 HydrophobicContact CB-CG2 4.4Å
220P96.8Very high96.3Very high68 Ų6867.7 Ų67.744%0.44236%0.355SS..G310 helixtrans-52.9-33.7-174.4-28.833.6000115.8M222 I223 P290P220-M222 PolarHBondContact O-N 3.39Å; P220-M222 VanDerWaalsContact O-N 3.15Å; P220-I223 PolarHBondContact O-N 3.23Å; P220-I223 VanDerWaalsContact O-N 3.17Å; P220-P290 HydrophobicContact CG-CB 3.96Å; P220-P290 HydrophobicContact CG-CG 4.06Å
221Y96.3Very high96.2Very high22 Ų2272.8 Ų72.89%0.08638%0.379CS..G310 helixtrans-63.8-24-175.481.6-91.9000112.9P78 P219 K240 L243 V246 W250 H251 M254P78-Y221 HydrophobicContact CB-CD2 4.08Å; P78-Y221 HydrophobicContact CG-CD2 4.34Å; P219-Y221 HydrophobicContact CB-CD1 3.86Å; P219-Y221 HydrophobicContact CB-CE1 3.92Å; P219-Y221 HydrophobicContact CG-CD1 3.71Å; P219-Y221 HydrophobicContact CG-CE1 3.29Å; P219-Y221 PolarHBondContact O-N 2.91Å; Y221-K240 WeakPolarHBondContact O-CD 3.19Å; Y221-K240 PolarHBondContact O-NZ 3.18Å; Y221-L243 HydrophobicContact CD2-CD1 4.28Å; Y221-L243 HydrophobicContact CD2-CD2 4.27Å; Y221-L243 HydrophobicContact CE2-CD1 4.33Å; Y221-V246 HydrophobicContact CE2-CG2 4.22Å; Y221-V246 WeakPolarHBondContact OH-CG2 3.41Å; Y221-W250 AromaticContact CD1-CH2 3.76Å; Y221-W250 HydrophobicContact CD1-CH2 3.76Å; Y221-W250 AromaticContact CD1-CZ3 3.65Å; Y221-W250 HydrophobicContact CD1-CZ3 3.65Å; Y221-W250 HydrophobicContact CD2-CH2 4.1Å; Y221-W250 AromaticContact CD2-CZ3 3.94Å; Y221-W250 HydrophobicContact CD2-CZ3 3.94Å; Y221-W250 HydrophobicContact CE1-CE3 4.4Å; Y221-W250 HydrophobicContact CE1-CH2 4.12Å; Y221-W250 AromaticContact CE1-CZ3 3.51Å; Y221-W250 HydrophobicContact CE1-CZ3 3.51Å; Y221-W250 HydrophobicContact CE2-CH2 4.45Å; Y221-W250 AromaticContact CE2-CZ3 3.82Å; Y221-W250 HydrophobicContact CE2-CZ3 3.82Å; Y221-W250 AromaticContact CG-CH2 3.76Å; Y221-W250 HydrophobicContact CG-CH2 3.76Å; Y221-W250 AromaticContact CG-CZ3 3.87Å; Y221-W250 HydrophobicContact CG-CZ3 3.87Å; Y221-W250 AromaticContact CZ-CZ3 3.62Å; Y221-H251 AromaticContact CE1-ND1 3.9Å; Y221-H251 AromaticContact CZ-ND1 3.79Å; Y221-H251 PolarHBondContact OH-ND1 2.97Å; Y221-M254 HydrophobicContact CD1-CB 4.09Å; Y221-M254 HydrophobicContact CD1-CG 4.08Å; Y221-M254 HydrophobicContact CE1-CB 4.11Å; Y221-M254 HydrophobicContact CE1-CG 4.3Å
222M97.5Very high96.1Very high13 Ų1368.2 Ų68.26%0.06437%0.369CS..G310 helixtrans-80.7-20.2-179.4-70.816263.300113.4V218 P219 P220 W237 R239 K240 L243V218-M222 HydrophobicContact CG1-CB 4.18Å; V218-M222 HydrophobicContact CG1-CE 4.45Å; P219-M222 VanDerWaalsContact CD-SD 3.59Å; P219-M222 HydrophobicContact CG-CG 4.42Å; P219-M222 HydrophobicContact CG-SD 3.57Å; P219-M222 VanDerWaalsContact CG-SD 3.57Å; P219-M222 PolarHBondContact O-N 3.44Å; P219-M222 VanDerWaalsContact O-N 3.13Å; P220-M222 PolarHBondContact O-N 3.39Å; P220-M222 VanDerWaalsContact O-N 3.15Å; M222-W237 HydrophobicContact CB-CH2 4.41Å; M222-W237 HydrophobicContact CB-CZ3 4.23Å; M222-W237 HydrophobicContact CE-CH2 4.49Å; M222-R239 CarbonylContact O-C 3.59Å; M222-R239 WeakPolarHBondContact O-CA 3.43Å; M222-K240 PolarHBondContact O-N 2.66Å; M222-L243 HydrophobicContact CG-CD1 4.4Å
223I97.6Very high96.1Very high22 Ų2264.8 Ų64.811%0.11336%0.358CS..EExtended strand (participates in β ladder)trans-93.3118.1-167.2-62.2153.9000110.2V218 P220 W237 K240 P290 N291V218-I223 HydrophobicContact CG1-CD1 3.89Å; V218-I223 HydrophobicContact CG1-CG1 3.76Å; P220-I223 PolarHBondContact O-N 3.23Å; P220-I223 VanDerWaalsContact O-N 3.17Å; I223-W237 HydrophobicContact CB-CE3 4.21Å; I223-W237 HydrophobicContact CG1-CD2 4.29Å; I223-W237 HydrophobicContact CG1-CE3 3.62Å; I223-W237 HydrophobicContact CG1-CZ3 3.92Å; I223-W237 HydrophobicContact CG2-CE3 4.39Å; I223-K240 WeakPolarHBondContact O-CE 3.46Å; I223-P290 VanDerWaalsContact CD1-C 3.41Å; I223-P290 HydrophobicContact CD1-CB 3.75Å; I223-N291 HydrophobicContact CD1-CB 3.89Å; I223-N291 HydrophobicContact CG1-CB 4.34Å
224A97.5Very high96.1Very high59 Ų5967 Ų6749%0.48838%0.377SS..EExtended strand (participates in β ladder)trans-82.1-43.8173.500000111.6K238 K240A224-K238 HydrophobicContact CB-CB 4.4Å; A224-K238 WeakPolarHBondContact CB-O 3.36Å; A224-K238 PolarHBondContact N-O 3.46Å; A224-K240 HydrophobicContact CB-CB 4.4Å; A224-K240 HydrophobicContact CB-CG 3.69Å
225S97.5Very high96.2Very high56 Ų5661.2 Ų61.239%0.39235%0.35SS..EExtended strand (participates in β ladder)trans-157.5160177.464.70000109.6W237 K238S225-W237 CarbonylContact O-C 3.58Å; S225-W237 VanDerWaalsContact O-CA 3.32Å; S225-W237 WeakPolarHBondContact O-CA 3.44Å; S225-W237 WeakPolarHBondContact O-CB 3.45Å; S225-K238 PolarHBondContact O-N 3.07Å
226K97Very high96.2Very high89 Ų8964 Ų6439%0.38737%0.366SS..EExtended strand (participates in β ladder)trans-139.6156.1171.561.6171173.5177.10110.5N236 W237 E288 P290K226-N236 CarbonylContact C-O 3.52Å; K226-N236 WeakPolarHBondContact CA-O 3.24Å; K226-W237 HydrophobicContact CB-CB 4.09Å; K226-E288 IonicContact NZ-OE1 2.67Å; K226-E288 PolarHBondContact NZ-OE1 3.17Å; K226-P290 WeakPolarHBondContact CD-O 3.25Å; K226-P290 WeakPolarHBondContact CE-O 3.41Å; K226-P290 PolarHBondContact NZ-O 3.44Å
227E96.5Very high96.4Very high110 Ų11060.9 Ų60.951%0.51435%0.349SS..EExtended strand (participates in β ladder)trans-115.8148171.7-67.9177.6-170.800109.4V229 N236E227-V229 PolarHBondContact O-N 3.09Å; E227-N236 HydrophobicContact CB-CB 4.32Å; E227-N236 PolarHBondContact N-O 3.13Å; E227-N236 PolarHBondContact OE2-ND2 3.1Å
228A94.8Very high96.4Very high105 Ų10565.6 Ų65.687%0.86837%0.368SS*.  trans-64.5132.8175.300000109.9
229V96.2Very high96.4Very high33 Ų3371.9 Ų71.920%0.239%0.392CS..  trans-120159.4176.8-62.40000109.6E227 N236 G292 N294E227-V229 PolarHBondContact O-N 3.09Å; V229-N236 HydrophobicContact CG1-CB 3.73Å; V229-G292 WeakPolarHBondContact CG2-O 3.27Å; V229-N294 PolarHBondContact O-ND2 3.49Å
230R95.5Very high96.3Very high215 Ų21576.2 Ų76.281%0.81141%0.41SS*.  trans-65.5151.4171.8-63.3-179.4-177.7-1780.2109.6G232 S233R230-G232 PolarHBondContact O-N 2.82Å; R230-S233 WeakPolarHBondContact O-CB 3.16Å; R230-S233 PolarHBondContact O-N 3.24Å; R230-S233 PolarHBondContact O-OG 3.37Å
231E94.4Very high96.1Very high111 Ų11182 Ų8252%0.51943%0.431SS..THydrogen-bonded Turntrans-51.1136.3176.3-163.9-168.6150.800112S233 N294 D296E231-S233 PolarHBondContact O-N 3.4Å; E231-N294 WeakPolarHBondContact CA-OD1 3.28Å; E231-D296 VanDerWaalsContact OE1-CB 3.29Å; E231-D296 WeakPolarHBondContact OE1-CB 3.16Å; E231-D296 PolarHBondContact OE1-N 2.61Å
232G93.8Very high95.9Very high46 Ų4690.5 Ų90.547%0.47447%0.469SS..THydrogen-bonded Turntrans69.5-5.9-178.500000115.1R230 N294R230-G232 PolarHBondContact O-N 2.82Å; G232-N294 PolarHBondContact N-O 3.11Å
233S95.1Very high95.7Very high42 Ų4292.3 Ų92.329%0.29448%0.479SS..SBendtrans-76.1149.6175.8-580000110.7R230 E231 A235 Y293R230-S233 WeakPolarHBondContact O-CB 3.16Å; R230-S233 PolarHBondContact O-N 3.24Å; R230-S233 PolarHBondContact O-OG 3.37Å; E231-S233 PolarHBondContact O-N 3.4Å; S233-A235 PolarHBondContact O-N 3.36Å; S233-Y293 WeakPolarHBondContact O-CD2 3.45Å
234P95.1Very high95.5Very high113 Ų11393.7 Ų93.773%0.73449%0.489SS*.PPolyproline II helixtrans-53.9140.4175.4-25.934.5000112.1N236P234-N236 PolarHBondContact O-N 3.27Å
235A96.5Very high95.3Very high28 Ų2898.5 Ų98.523%0.23150%0.501CS..PPolyproline II helixtrans-61.2136.8177.900000111.9S233 N291S233-A235 PolarHBondContact O-N 3.36Å; A235-N291 HydrophobicContact CB-CB 4.34Å
236N97Very high95.2Very high71 Ų7197.3 Ų97.338%0.3849%0.492SS..EExtended strand (participates in β ladder)trans-103.996.2169.8-176.64.1000109.4K226 E227 V229 P234K226-N236 CarbonylContact C-O 3.52Å; K226-N236 WeakPolarHBondContact CA-O 3.24Å; E227-N236 HydrophobicContact CB-CB 4.32Å; E227-N236 PolarHBondContact N-O 3.13Å; E227-N236 PolarHBondContact OE2-ND2 3.1Å; V229-N236 HydrophobicContact CG1-CB 3.73Å; P234-N236 PolarHBondContact O-N 3.27Å
237W97.6Very high95.2Very high45 Ų4593.8 Ų93.817%0.1748%0.478CS..EExtended strand (participates in β ladder)trans-138.7152.7-179.169.8-75.8000111.9V218 M222 I223 S225 K226 R239 N291V218-W237 HydrophobicContact CB-CZ2 4.33Å; V218-W237 HydrophobicContact CG1-CE3 4.36Å; V218-W237 HydrophobicContact CG1-CH2 3.5Å; V218-W237 VanDerWaalsContact CG1-CH2 3.5Å; V218-W237 HydrophobicContact CG1-CZ2 3.66Å; V218-W237 HydrophobicContact CG1-CZ3 3.87Å; V218-W237 HydrophobicContact CG2-CH2 4.33Å; V218-W237 HydrophobicContact CG2-CZ2 3.71Å; M222-W237 HydrophobicContact CB-CH2 4.41Å; M222-W237 HydrophobicContact CB-CZ3 4.23Å; M222-W237 HydrophobicContact CE-CH2 4.49Å; I223-W237 HydrophobicContact CB-CE3 4.21Å; I223-W237 HydrophobicContact CG1-CD2 4.29Å; I223-W237 HydrophobicContact CG1-CE3 3.62Å; I223-W237 HydrophobicContact CG1-CZ3 3.92Å; I223-W237 HydrophobicContact CG2-CE3 4.39Å; S225-W237 CarbonylContact O-C 3.58Å; S225-W237 VanDerWaalsContact O-CA 3.32Å; S225-W237 WeakPolarHBondContact O-CA 3.44Å; S225-W237 WeakPolarHBondContact O-CB 3.45Å; K226-W237 HydrophobicContact CB-CB 4.09Å; W237-R239 HydrophobicContact CH2-CB 4.24Å; W237-R239 HydrophobicContact CZ3-CB 3.82Å; W237-R239 HydrophobicContact CZ3-CG 4.37Å; W237-N291 HydrophobicContact CB-CB 4.36Å; W237-N291 HydrophobicContact CD2-CB 4.18Å; W237-N291 HydrophobicContact CG-CB 3.87Å
238K97.4Very high95.3Very high128 Ų12898.3 Ų98.356%0.55749%0.49SS*.EExtended strand (participates in β ladder)trans-106.1131175.5-65.4-177.1-178.61750109.4A224 S225A224-K238 HydrophobicContact CB-CB 4.4Å; A224-K238 WeakPolarHBondContact CB-O 3.36Å; A224-K238 PolarHBondContact N-O 3.46Å; S225-K238 PolarHBondContact O-N 3.07Å
239R96.3Very high95.4Very high134 Ų13494.9 Ų94.951%0.50646%0.46SS..EExtended strand (participates in β ladder)trans-74.2141.6173.4179.4178.9-74.3-97.74.2110.5M222 W237 E241M222-R239 CarbonylContact O-C 3.59Å; M222-R239 WeakPolarHBondContact O-CA 3.43Å; W237-R239 HydrophobicContact CH2-CB 4.24Å; W237-R239 HydrophobicContact CZ3-CB 3.82Å; W237-R239 HydrophobicContact CZ3-CG 4.37Å; R239-E241 PolarHBondContact O-N 3.14Å
240K96.7Very high95.5Very high90 Ų9093.3 Ų93.339%0.39145%0.45SS..  trans-64.3129.9170.7-66.8-173.9-169.6168.70110.7Y221 M222 I223 A224 L243Y221-K240 WeakPolarHBondContact O-CD 3.19Å; Y221-K240 PolarHBondContact O-NZ 3.18Å; M222-K240 PolarHBondContact O-N 2.66Å; I223-K240 WeakPolarHBondContact O-CE 3.46Å; A224-K240 HydrophobicContact CB-CB 4.4Å; A224-K240 HydrophobicContact CB-CG 3.69Å; K240-L243 HydrophobicContact CB-CD1 3.94Å; K240-L243 HydrophobicContact CB-CD2 4.24Å; K240-L243 HydrophobicContact CB-CG 3.85Å; K240-L243 HydrophobicContact CD-CD2 4.23Å
241E92Very high95.7Very high189 Ų18985.6 Ų85.688%0.88342%0.423SS*.SBendtrans-74.4-39.6-175.9-63178.9175.500113.1R239R239-E241 PolarHBondContact O-N 3.14Å
242K91.5Very high95.8Very high202 Ų20283.1 Ų83.188%0.87841%0.414SS*.SBendtrans-104.273.6-174.9-62.8-176.9-178-179.50111.1
243L93.1Very high96Very high51 Ų5182.6 Ų82.627%0.26740%0.398SS..  trans-109.8138.6172.9-72.4173.9000110.7P78 Y221 M222 K240P78-L243 HydrophobicContact CG-CD2 4.17Å; Y221-L243 HydrophobicContact CD2-CD1 4.28Å; Y221-L243 HydrophobicContact CD2-CD2 4.27Å; Y221-L243 HydrophobicContact CE2-CD1 4.33Å; M222-L243 HydrophobicContact CG-CD1 4.4Å; K240-L243 HydrophobicContact CB-CD1 3.94Å; K240-L243 HydrophobicContact CB-CD2 4.24Å; K240-L243 HydrophobicContact CB-CG 3.85Å; K240-L243 HydrophobicContact CD-CD2 4.23Å
244P93.9Very high96.2Very high50 Ų5081.1 Ų81.133%0.32539%0.386SS..  trans-66.6157.4169.229.8-33.5000110.4P78 E80 V246P78-P244 HydrophobicContact CB-CG 4.04Å; P78-P244 WeakPolarHBondContact O-CG 3.32Å; E80-P244 HydrophobicContact CB-CB 4.3Å; P244-V246 HydrophobicContact CG-CG1 4.47Å; P244-V246 PolarHBondContact O-N 2.9Å
245Q92.9Very high96.3Very high160 Ų16075.9 Ų75.975%0.74835%0.352SS*.  trans-72.3101.8172-175.3174.61.200109.4
246V96.2Very high96.4Very high31 Ų3176.6 Ų76.619%0.18835%0.352CS..  trans-82.2153.5178.4-59.50000111.5P78 Y221 P244 W250 H251P78-V246 HydrophobicContact CB-CG1 3.67Å; Y221-V246 HydrophobicContact CE2-CG2 4.22Å; Y221-V246 WeakPolarHBondContact OH-CG2 3.41Å; P244-V246 HydrophobicContact CG-CG1 4.47Å; P244-V246 PolarHBondContact O-N 2.9Å; V246-W250 HydrophobicContact CB-CE3 3.66Å; V246-W250 HydrophobicContact CB-CZ3 4.08Å; V246-W250 HydrophobicContact CG1-CE3 3.74Å; V246-W250 HydrophobicContact CG1-CZ3 3.71Å; V246-W250 HydrophobicContact CG2-CE3 3.92Å; V246-W250 HydrophobicContact CG2-CZ3 4.15Å; V246-H251 HydrophobicContact CG2-CB 4.29Å
247T97.7Very high96.4Very high16 Ų1674.1 Ų74.110%0.09834%0.34CS..  trans-72.9162.8177.469.70000111.7M82 E83 S249 W250 H251M82-T247 WeakPolarHBondContact O-CB 3.15Å; M82-T247 WeakPolarHBondContact O-CG2 3.28Å; M82-T247 PolarHBondContact O-OG1 2.69Å; E83-T247 HydrophobicContact CG-CG2 4.32Å; E83-T247 VanDerWaalsContact OE1-CB 3.3Å; E83-T247 WeakPolarHBondContact OE1-CB 3.47Å; E83-T247 WeakPolarHBondContact OE1-CG2 3.43Å; T247-S249 PolarHBondContact OG1-OG 3.39Å; T247-W250 WeakPolarHBondContact OG1-CB 3.45Å; T247-W250 PolarHBondContact OG1-N 2.88Å; T247-H251 WeakPolarHBondContact O-CB 3.33Å; T247-H251 PolarHBondContact O-N 2.99Å
248R97.7Very high96.5Very high205 Ų20572.3 Ų72.377%0.77433%0.334SS*.Hα-helixtrans-66.3-40.2177.1-178.7177.4173-167.6-4.9112N252R248-N252 VanDerWaalsContact O-CB 3.28Å; R248-N252 WeakPolarHBondContact O-CB 3.29Å; R248-N252 PolarHBondContact O-N 3.02Å; R248-N252 PolarHBondContact O-ND2 3.41Å
249S97.8Very high96.5Very high32 Ų3266.2 Ų66.222%0.22431%0.308CS..Hα-helixtrans-63.7-43.7-179.7660000110.9E83 A84 T247 N252 Y253E83-S249 VanDerWaalsContact CA-OG 3.28Å; E83-S249 WeakPolarHBondContact CA-OG 3.41Å; E83-S249 WeakPolarHBondContact OE2-CB 3.28Å; E83-S249 PolarHBondContact OE2-OG 2.86Å; A84-S249 PolarHBondContact N-OG 2.81Å; T247-S249 PolarHBondContact OG1-OG 3.39Å; S249-N252 PolarHBondContact O-N 3.14Å; S249-Y253 PolarHBondContact O-N 2.95Å
250W98.2Very high96.5Very high0 Ų061.8 Ų61.80%029%0.293CS..Hα-helixtrans-69.5-42.6179.7-173.786.7000112.3L75 P78 M82 A84 Y221 V246 T247 N252 Y253 M254L75-W250 PolarHBondContact O-NE1 3.32Å; P78-W250 VanDerWaalsContact CA-CH2 3.47Å; P78-W250 HydrophobicContact CB-CH2 3.61Å; P78-W250 HydrophobicContact CB-CZ2 4.33Å; P78-W250 HydrophobicContact CB-CZ3 3.94Å; P78-W250 HydrophobicContact CG-CH2 4.41Å; M82-W250 HydrophobicContact CE-CD2 4.22Å; M82-W250 HydrophobicContact CE-CG 4.01Å; M82-W250 HydrophobicContact CE-CZ2 4.39Å; M82-W250 WeakPolarHBondContact O-CB 3.49Å; A84-W250 HydrophobicContact CB-CB 4.23Å; Y221-W250 AromaticContact CD1-CH2 3.76Å; Y221-W250 HydrophobicContact CD1-CH2 3.76Å; Y221-W250 AromaticContact CD1-CZ3 3.65Å; Y221-W250 HydrophobicContact CD1-CZ3 3.65Å; Y221-W250 HydrophobicContact CD2-CH2 4.1Å; Y221-W250 AromaticContact CD2-CZ3 3.94Å; Y221-W250 HydrophobicContact CD2-CZ3 3.94Å; Y221-W250 HydrophobicContact CE1-CE3 4.4Å; Y221-W250 HydrophobicContact CE1-CH2 4.12Å; Y221-W250 AromaticContact CE1-CZ3 3.51Å; Y221-W250 HydrophobicContact CE1-CZ3 3.51Å; Y221-W250 HydrophobicContact CE2-CH2 4.45Å; Y221-W250 AromaticContact CE2-CZ3 3.82Å; Y221-W250 HydrophobicContact CE2-CZ3 3.82Å; Y221-W250 AromaticContact CG-CH2 3.76Å; Y221-W250 HydrophobicContact CG-CH2 3.76Å; Y221-W250 AromaticContact CG-CZ3 3.87Å; Y221-W250 HydrophobicContact CG-CZ3 3.87Å; Y221-W250 AromaticContact CZ-CZ3 3.62Å; V246-W250 HydrophobicContact CB-CE3 3.66Å; V246-W250 HydrophobicContact CB-CZ3 4.08Å; V246-W250 HydrophobicContact CG1-CE3 3.74Å; V246-W250 HydrophobicContact CG1-CZ3 3.71Å; V246-W250 HydrophobicContact CG2-CE3 3.92Å; V246-W250 HydrophobicContact CG2-CZ3 4.15Å; T247-W250 WeakPolarHBondContact OG1-CB 3.45Å; T247-W250 PolarHBondContact OG1-N 2.88Å; W250-N252 VanDerWaalsContact C-N 3.32Å; W250-N252 PolarHBondContact O-N 2.85Å; W250-Y253 WeakPolarHBondContact O-CB 3.47Å; W250-Y253 PolarHBondContact O-N 3.48Å; W250-M254 HydrophobicContact CD2-CG 4.04Å; W250-M254 HydrophobicContact CE3-CG 3.97Å; W250-M254 HydrophobicContact CH2-CG 3.59Å; W250-M254 HydrophobicContact CH2-SD 4.23Å; W250-M254 HydrophobicContact CZ2-CG 3.63Å; W250-M254 HydrophobicContact CZ2-SD 3.84Å; W250-M254 HydrophobicContact CZ3-CG 3.76Å; W250-M254 WeakPolarHBondContact O-CG 3.16Å; W250-M254 PolarHBondContact O-N 3.33Å
251H98.1Very high96.6Very high54 Ų5461.7 Ų61.725%0.2530%0.296CS..Hα-helixtrans-58.1-45.4172.1176.474.2000111.5Y221 V246 T247 Y253 M254 C255Y221-H251 AromaticContact CE1-ND1 3.9Å; Y221-H251 AromaticContact CZ-ND1 3.79Å; Y221-H251 PolarHBondContact OH-ND1 2.97Å; V246-H251 HydrophobicContact CG2-CB 4.29Å; T247-H251 WeakPolarHBondContact O-CB 3.33Å; T247-H251 PolarHBondContact O-N 2.99Å; H251-Y253 VanDerWaalsContact C-N 3.33Å; H251-Y253 PolarHBondContact O-N 3.38Å; H251-M254 PolarHBondContact O-N 2.67Å; H251-C255 VanDerWaalsContact CE1-SG 3.59Å; H251-C255 PolarHBondContact NE2-SG 3.02Å; H251-C255 VanDerWaalsContact NE2-SG 3.43Å; H251-C255 WeakPolarHBondContact O-CB 3.28Å; H251-C255 PolarHBondContact O-N 3.36Å; H251-C255 PolarHBondContact O-SG 3.18Å; H251-C255 VanDerWaalsContact O-SG 3.41Å
252N97.9Very high96.9Very high59 Ų5952.7 Ų52.732%0.31625%0.254SS..Hα-helixtrans-61.1-40.5177.3-76.1-14.8000112.4R207 R248 S249 W250 C255 N256R207-N252 PolarHBondContact NH2-O 2.72Å; R248-N252 VanDerWaalsContact O-CB 3.28Å; R248-N252 WeakPolarHBondContact O-CB 3.29Å; R248-N252 PolarHBondContact O-N 3.02Å; R248-N252 PolarHBondContact O-ND2 3.41Å; S249-N252 PolarHBondContact O-N 3.14Å; W250-N252 VanDerWaalsContact C-N 3.32Å; W250-N252 PolarHBondContact O-N 2.85Å; N252-C255 WeakPolarHBondContact O-CB 3.43Å; N252-C255 PolarHBondContact O-N 2.99Å; N252-N256 VanDerWaalsContact O-CG 3.31Å; N252-N256 PolarHBondContact O-N 3.21Å; N252-N256 PolarHBondContact O-OD1 2.82Å
253Y98Very high97.2Very high35 Ų3544 Ų4414%0.13722%0.217CC..Hα-helixtrans-59.3-49174.2171.2-97.6000111.4A40 L75 A84 S249 W250 H251 C255 N256 C257A40-Y253 HydrophobicContact CB-CD2 4.05Å; A40-Y253 HydrophobicContact CB-CE2 3.68Å; L75-Y253 HydrophobicContact CD1-CE1 4.33Å; L75-Y253 HydrophobicContact CD2-CD1 4.45Å; L75-Y253 HydrophobicContact CD2-CE1 3.56Å; L75-Y253 HydrophobicContact CD2-CE2 4.19Å; L75-Y253 VanDerWaalsContact CD2-CZ 3.41Å; L75-Y253 WeakPolarHBondContact CD2-OH 3.29Å; L75-Y253 HydrophobicContact CG-CD1 4.37Å; L75-Y253 HydrophobicContact CG-CE1 3.7Å; A84-Y253 HydrophobicContact CB-CG 4.11Å; S249-Y253 PolarHBondContact O-N 2.95Å; W250-Y253 WeakPolarHBondContact O-CB 3.47Å; W250-Y253 PolarHBondContact O-N 3.48Å; H251-Y253 VanDerWaalsContact C-N 3.33Å; H251-Y253 PolarHBondContact O-N 3.38Å; Y253-C255 VanDerWaalsContact C-N 3.29Å; Y253-C255 PolarHBondContact O-N 3.23Å; Y253-N256 WeakPolarHBondContact O-CB 3.3Å; Y253-N256 PolarHBondContact O-N 3.41Å; Y253-C257 PolarHBondContact O-N 3.22Å; Y253-C257 PolarHBondContact O-SG 3.35Å
254M98.2Very high97.3Very high11 Ų1145.8 Ų45.85%0.05424%0.239CC..Hα-helixtrans-62-37.8178-67.6-54.6-60.500112.5R76 P219 Y221 W250 H251 C257 V258R76-M254 HydrophobicContact CB-CE 4.12Å; R76-M254 HydrophobicContact CB-SD 4.13Å; R76-M254 HydrophobicContact CG-CE 4.13Å; R76-M254 HydrophobicContact CG-SD 3.92Å; P219-M254 HydrophobicContact CB-CB 3.89Å; P219-M254 HydrophobicContact CG-CB 4.43Å; Y221-M254 HydrophobicContact CD1-CB 4.09Å; Y221-M254 HydrophobicContact CD1-CG 4.08Å; Y221-M254 HydrophobicContact CE1-CB 4.11Å; Y221-M254 HydrophobicContact CE1-CG 4.3Å; W250-M254 HydrophobicContact CD2-CG 4.04Å; W250-M254 HydrophobicContact CE3-CG 3.97Å; W250-M254 HydrophobicContact CH2-CG 3.59Å; W250-M254 HydrophobicContact CH2-SD 4.23Å; W250-M254 HydrophobicContact CZ2-CG 3.63Å; W250-M254 HydrophobicContact CZ2-SD 3.84Å; W250-M254 HydrophobicContact CZ3-CG 3.76Å; W250-M254 WeakPolarHBondContact O-CG 3.16Å; W250-M254 PolarHBondContact O-N 3.33Å; H251-M254 PolarHBondContact O-N 2.67Å; M254-C257 WeakPolarHBondContact O-CB 3.48Å; M254-C257 PolarHBondContact O-N 3.04Å; M254-V258 PolarHBondContact O-N 2.82Å
255C98.3Very high97.5Very high2 Ų246.6 Ų46.61%0.01425%0.246CC..Hα-helixtrans-64.6-40.4172.3-76.30000112.3L217 H251 N252 Y253 C257 V258 I259L217-C255 HydrophobicContact CD2-CB 3.59Å; L217-C255 HydrophobicContact CG-CB 4.21Å; H251-C255 VanDerWaalsContact CE1-SG 3.59Å; H251-C255 PolarHBondContact NE2-SG 3.02Å; H251-C255 VanDerWaalsContact NE2-SG 3.43Å; H251-C255 WeakPolarHBondContact O-CB 3.28Å; H251-C255 PolarHBondContact O-N 3.36Å; H251-C255 PolarHBondContact O-SG 3.18Å; H251-C255 VanDerWaalsContact O-SG 3.41Å; N252-C255 WeakPolarHBondContact O-CB 3.43Å; N252-C255 PolarHBondContact O-N 2.99Å; Y253-C255 VanDerWaalsContact C-N 3.29Å; Y253-C255 PolarHBondContact O-N 3.23Å; C255-C257 VanDerWaalsContact C-N 3.3Å; C255-C257 PolarHBondContact O-N 3.18Å; C255-V258 PolarHBondContact O-N 3.48Å; C255-I259 WeakPolarHBondContact O-CD1 3.22Å; C255-I259 WeakPolarHBondContact O-CG1 3.49Å; C255-I259 PolarHBondContact O-N 2.82Å; C255-I259 VanDerWaalsContact O-N 3.1Å
256N97.8Very high97.7Very high43 Ų4339.1 Ų39.123%0.2321%0.211CC..Hα-helixtrans-62.2-36.9174.8-74.1-7.4000111.8T203 R207 N252 Y253 V258 I259 Q260T203-N256 HydrophobicContact CG2-CB 4.39Å; T203-N256 WeakPolarHBondContact CG2-OD1 3.37Å; R207-N256 PolarHBondContact NE-OD1 3.04Å; R207-N256 VanDerWaalsContact NE-OD1 3.15Å; R207-N256 PolarHBondContact NH2-OD1 3.11Å; N252-N256 VanDerWaalsContact O-CG 3.31Å; N252-N256 PolarHBondContact O-N 3.21Å; N252-N256 PolarHBondContact O-OD1 2.82Å; Y253-N256 WeakPolarHBondContact O-CB 3.3Å; Y253-N256 PolarHBondContact O-N 3.41Å; N256-V258 VanDerWaalsContact C-N 3.27Å; N256-V258 PolarHBondContact O-N 2.95Å; N256-I259 PolarHBondContact O-N 2.95Å; N256-Q260 WeakPolarHBondContact O-CB 3.26Å; N256-Q260 WeakPolarHBondContact O-CG 3.48Å; N256-Q260 PolarHBondContact O-N 3.4Å
257C97.8Very high97.8Very high19 Ų1938 Ų3813%0.12820%0.204CC..Hα-helixtrans-59.5-37.8174.4-65.60000112.6Y253 M254 C255 D261Y253-C257 PolarHBondContact O-N 3.22Å; Y253-C257 PolarHBondContact O-SG 3.35Å; M254-C257 WeakPolarHBondContact O-CB 3.48Å; M254-C257 PolarHBondContact O-N 3.04Å; C255-C257 VanDerWaalsContact C-N 3.3Å; C255-C257 PolarHBondContact O-N 3.18Å; C257-D261 PolarHBondContact O-N 3.44Å; C257-D261 VanDerWaalsContact O-N 3.16Å
258V98.3Very high97.8Very high8 Ų837.8 Ų37.85%0.04820%0.202CC..Hα-helixtrans-68.3-43175.6179.80000110.9L217 P219 M254 C255 N256 Q260 D261 F262 F289 P290L217-V258 HydrophobicContact CD1-CB 4Å; L217-V258 HydrophobicContact CD1-CG1 3.71Å; P219-V258 HydrophobicContact CB-CG2 4.4Å; M254-V258 PolarHBondContact O-N 2.82Å; C255-V258 PolarHBondContact O-N 3.48Å; N256-V258 VanDerWaalsContact C-N 3.27Å; N256-V258 PolarHBondContact O-N 2.95Å; V258-Q260 VanDerWaalsContact C-N 3.31Å; V258-Q260 PolarHBondContact O-N 3.06Å; V258-D261 PolarHBondContact O-N 3.28Å; V258-F262 PolarHBondContact O-N 3.46Å; V258-F289 HydrophobicContact CG1-CD1 4.31Å; V258-P290 HydrophobicContact CG1-CG 3.83Å; V258-P290 HydrophobicContact CG2-CG 3.85Å
259I98.3Very high97.8Very high0 Ų028 Ų280%017%0.165CC..Hα-helixtrans-63-39.8177.4-66.1154.5000111.2T203 C206 R207 F210 L217 C255 N256 D261 F262 Q263T203-I259 HydrophobicContact CG2-CB 4.25Å; T203-I259 HydrophobicContact CG2-CD1 4.07Å; T203-I259 HydrophobicContact CG2-CG2 3.82Å; C206-I259 HydrophobicContact CB-CG2 3.48Å; C206-I259 VanDerWaalsContact CB-CG2 3.48Å; R207-I259 HydrophobicContact CG-CD1 3.35Å; R207-I259 HydrophobicContact CG-CG1 4.4Å; F210-I259 HydrophobicContact CD2-CG1 4.43Å; F210-I259 HydrophobicContact CE2-CG1 3.83Å; L217-I259 HydrophobicContact CD1-CG1 4.18Å; L217-I259 HydrophobicContact CD2-CD1 3.53Å; L217-I259 HydrophobicContact CD2-CG1 3.8Å; C255-I259 WeakPolarHBondContact O-CD1 3.22Å; C255-I259 WeakPolarHBondContact O-CG1 3.49Å; C255-I259 PolarHBondContact O-N 2.82Å; C255-I259 VanDerWaalsContact O-N 3.1Å; N256-I259 PolarHBondContact O-N 2.95Å; I259-D261 VanDerWaalsContact C-N 3.33Å; I259-D261 PolarHBondContact O-N 3.12Å; I259-F262 WeakPolarHBondContact O-CB 3.18Å; I259-F262 PolarHBondContact O-N 3.1Å; I259-Q263 HydrophobicContact CG2-CG 4.34Å; I259-Q263 VanDerWaalsContact O-CG 3.22Å; I259-Q263 WeakPolarHBondContact O-CG 3.37Å; I259-Q263 PolarHBondContact O-N 3.16Å
260Q97.3Very high97.6Very high41 Ų4126.9 Ų26.919%0.19216%0.157CC..Hα-helixtrans-66.3-35.6178.6-73.5163.2-15.700112.3Y21 N256 V258 Q263 A264Y21-Q260 PolarHBondContact OH-OE1 3.26Å; N256-Q260 WeakPolarHBondContact O-CB 3.26Å; N256-Q260 WeakPolarHBondContact O-CG 3.48Å; N256-Q260 PolarHBondContact O-N 3.4Å; V258-Q260 VanDerWaalsContact C-N 3.31Å; V258-Q260 PolarHBondContact O-N 3.06Å; Q260-Q263 WeakPolarHBondContact O-CB 3.34Å; Q260-Q263 PolarHBondContact O-N 3.11Å; Q260-A264 PolarHBondContact O-N 3Å
261D97.7Very high97.3Very high87 Ų8731 Ų3147%0.46518%0.179SC..Hα-helixtrans-65.1-44.6172-179.180.5000111.7C257 V258 I259 Q263 A264 S265 Y287C257-D261 PolarHBondContact O-N 3.44Å; C257-D261 VanDerWaalsContact O-N 3.16Å; V258-D261 PolarHBondContact O-N 3.28Å; I259-D261 VanDerWaalsContact C-N 3.33Å; I259-D261 PolarHBondContact O-N 3.12Å; D261-Q263 VanDerWaalsContact C-N 3.34Å; D261-Q263 PolarHBondContact O-N 2.96Å; D261-A264 PolarHBondContact O-N 2.87Å; D261-S265 VanDerWaalsContact O-CB 3.3Å; D261-S265 WeakPolarHBondContact O-CB 3.34Å; D261-S265 PolarHBondContact O-N 3.3Å; D261-S265 PolarHBondContact O-OG 2.75Å; D261-Y287 WeakPolarHBondContact OD2-CE2 3.46Å; D261-Y287 PolarHBondContact OD2-OH 3.31Å
262F98.3Very high97Very high0 Ų031.1 Ų31.10%019%0.186CC..Hα-helixtrans-57.3-45.5170.8170.9-92.8000111.9C206 L209 F210 V258 I259 A264 S265 V266 L267 Y287 F289 F297C206-F262 HydrophobicContact CB-CD1 4.48Å; L209-F262 HydrophobicContact CD2-CZ 4.47Å; F210-F262 HydrophobicContact CE1-CD1 4.15Å; F210-F262 HydrophobicContact CE1-CD2 4.22Å; F210-F262 AromaticContact CE1-CE1 3.97Å; F210-F262 HydrophobicContact CE1-CE1 3.97Å; F210-F262 HydrophobicContact CE1-CE2 4.03Å; F210-F262 HydrophobicContact CE1-CG 4.28Å; F210-F262 AromaticContact CE1-CZ 3.9Å; F210-F262 HydrophobicContact CE1-CZ 3.9Å; F210-F262 HydrophobicContact CZ-CB 4.24Å; F210-F262 AromaticContact CZ-CD1 3.68Å; F210-F262 HydrophobicContact CZ-CD1 3.68Å; F210-F262 AromaticContact CZ-CD2 3.99Å; F210-F262 HydrophobicContact CZ-CD2 3.99Å; F210-F262 AromaticContact CZ-CE1 3.97Å; F210-F262 HydrophobicContact CZ-CE1 3.97Å; F210-F262 HydrophobicContact CZ-CE2 4.25Å; F210-F262 AromaticContact CZ-CG 3.69Å; F210-F262 HydrophobicContact CZ-CG 3.69Å; F210-F262 HydrophobicContact CZ-CZ 4.25Å; V258-F262 PolarHBondContact O-N 3.46Å; I259-F262 WeakPolarHBondContact O-CB 3.18Å; I259-F262 PolarHBondContact O-N 3.1Å; F262-A264 PolarHBondContact O-N 3.21Å; F262-S265 PolarHBondContact O-N 3.38Å; F262-V266 HydrophobicContact CD2-CB 4.03Å; F262-V266 HydrophobicContact CD2-CG1 4.49Å; F262-V266 HydrophobicContact CD2-CG2 3.58Å; F262-V266 HydrophobicContact CE1-CB 4.46Å; F262-V266 HydrophobicContact CE2-CB 3.75Å; F262-V266 HydrophobicContact CE2-CG1 3.73Å; F262-V266 HydrophobicContact CE2-CG2 3.62Å; F262-V266 HydrophobicContact CG-CG2 4.3Å; F262-V266 HydrophobicContact CZ-CB 3.99Å; F262-V266 HydrophobicContact CZ-CG1 3.82Å; F262-V266 HydrophobicContact CZ-CG2 4.36Å; F262-V266 VanDerWaalsContact O-CB 3.32Å; F262-V266 WeakPolarHBondContact O-CB 3.31Å; F262-V266 WeakPolarHBondContact O-CG2 3.38Å; F262-V266 PolarHBondContact O-N 3.17Å; F262-L267 HydrophobicContact CE1-CD2 4.03Å; F262-Y287 HydrophobicContact CB-CE1 4.03Å; F262-Y287 HydrophobicContact CB-CE2 4.25Å; F262-Y287 AromaticContact CD2-CD1 3.7Å; F262-Y287 HydrophobicContact CD2-CD1 3.7Å; F262-Y287 HydrophobicContact CD2-CD2 4.33Å; F262-Y287 AromaticContact CD2-CE1 3.95Å; F262-Y287 HydrophobicContact CD2-CE1 3.95Å; F262-Y287 AromaticContact CD2-CG 3.9Å; F262-Y287 HydrophobicContact CD2-CG 3.9Å; F262-Y287 HydrophobicContact CE2-CD1 4.48Å; F262-Y287 PolarHBondContact N-OH 3.05Å; F262-F289 HydrophobicContact CD2-CZ 4.45Å; F262-F297 HydrophobicContact CD2-CE2 4.41Å; F262-F297 HydrophobicContact CD2-CZ 4.44Å; F262-F297 AromaticContact CE2-CD1 3.96Å; F262-F297 HydrophobicContact CE2-CD1 3.96Å; F262-F297 AromaticContact CE2-CD2 3.82Å; F262-F297 HydrophobicContact CE2-CD2 3.82Å; F262-F297 AromaticContact CE2-CE1 3.74Å; F262-F297 HydrophobicContact CE2-CE1 3.74Å; F262-F297 AromaticContact CE2-CE2 3.61Å; F262-F297 HydrophobicContact CE2-CE2 3.61Å; F262-F297 AromaticContact CE2-CG 3.99Å; F262-F297 HydrophobicContact CE2-CG 3.99Å; F262-F297 AromaticContact CE2-CZ 3.55Å; F262-F297 HydrophobicContact CE2-CZ 3.55Å; F262-F297 AromaticContact CZ-CD1 3.94Å; F262-F297 HydrophobicContact CZ-CD1 3.94Å; F262-F297 AromaticContact CZ-CE1 3.9Å; F262-F297 HydrophobicContact CZ-CE1 3.9Å; F262-F297 HydrophobicContact CZ-CG 4.25Å; F262-F297 HydrophobicContact CZ-CZ 4.19Å
263Q97.5Very high96.7Very high20 Ų2032.4 Ų32.49%0.09320%0.196CC..Hα-helixtrans-57.4-48.7179-74.5166.42.100112.2I202 T203 I259 Q260 D261 S265 L267I202-Q263 HydrophobicContact CG2-CG 3.76Å; T203-Q263 PolarHBondContact OG1-NE2 3.22Å; I259-Q263 HydrophobicContact CG2-CG 4.34Å; I259-Q263 VanDerWaalsContact O-CG 3.22Å; I259-Q263 WeakPolarHBondContact O-CG 3.37Å; I259-Q263 PolarHBondContact O-N 3.16Å; Q260-Q263 WeakPolarHBondContact O-CB 3.34Å; Q260-Q263 PolarHBondContact O-N 3.11Å; D261-Q263 VanDerWaalsContact C-N 3.34Å; D261-Q263 PolarHBondContact O-N 2.96Å; Q263-S265 VanDerWaalsContact C-N 3.27Å; Q263-S265 PolarHBondContact O-N 2.81Å; Q263-L267 HydrophobicContact CB-CD1 4Å; Q263-L267 HydrophobicContact CG-CD1 3.76Å; Q263-L267 WeakPolarHBondContact O-CB 3.39Å; Q263-L267 PolarHBondContact O-N 2.81Å
264A95.8Very high96.5Very high89 Ų8933 Ų3374%0.73620%0.198SC*.Hα-helixtrans-67.6-28.9-179.400000112.6Q260 D261 F262Q260-A264 PolarHBondContact O-N 3Å; D261-A264 PolarHBondContact O-N 2.87Å; F262-A264 PolarHBondContact O-N 3.21Å
265S97.4Very high96.2Very high67 Ų6735.9 Ų35.947%0.46921%0.214SC..Hα-helixtrans-92.1-29.9-174.2-56.60000114D261 F262 Q263D261-S265 VanDerWaalsContact O-CB 3.3Å; D261-S265 WeakPolarHBondContact O-CB 3.34Å; D261-S265 PolarHBondContact O-N 3.3Å; D261-S265 PolarHBondContact O-OG 2.75Å; F262-S265 PolarHBondContact O-N 3.38Å; Q263-S265 VanDerWaalsContact C-N 3.27Å; Q263-S265 PolarHBondContact O-N 2.81Å
266V98.1Very high96Very high3 Ų340.6 Ų40.62%0.01824%0.236CC..Hα-helixtrans-118.7-36.9-164.5-175.20000113.4F262 V285 Y287 F297 R301F262-V266 HydrophobicContact CD2-CB 4.03Å; F262-V266 HydrophobicContact CD2-CG1 4.49Å; F262-V266 HydrophobicContact CD2-CG2 3.58Å; F262-V266 HydrophobicContact CE1-CB 4.46Å; F262-V266 HydrophobicContact CE2-CB 3.75Å; F262-V266 HydrophobicContact CE2-CG1 3.73Å; F262-V266 HydrophobicContact CE2-CG2 3.62Å; F262-V266 HydrophobicContact CG-CG2 4.3Å; F262-V266 HydrophobicContact CZ-CB 3.99Å; F262-V266 HydrophobicContact CZ-CG1 3.82Å; F262-V266 HydrophobicContact CZ-CG2 4.36Å; F262-V266 VanDerWaalsContact O-CB 3.32Å; F262-V266 WeakPolarHBondContact O-CB 3.31Å; F262-V266 WeakPolarHBondContact O-CG2 3.38Å; F262-V266 PolarHBondContact O-N 3.17Å; V266-V285 HydrophobicContact CG1-CB 4.33Å; V266-V285 HydrophobicContact CG1-CG1 4.33Å; V266-V285 HydrophobicContact CG2-CG1 4.35Å; V266-Y287 HydrophobicContact CG2-CD2 3.66Å; V266-Y287 HydrophobicContact CG2-CG 3.8Å; V266-F297 HydrophobicContact CG1-CB 3.67Å; V266-F297 HydrophobicContact CG1-CD2 4.14Å; V266-F297 HydrophobicContact CG1-CG 3.96Å; V266-R301 HydrophobicContact CG1-CB 3.84Å; V266-R301 WeakPolarHBondContact O-CD 3.43Å
267L98Very high95.8Very high6 Ų645.7 Ų45.73%0.03126%0.258CS..  trans-73.3142.8-171.6-60.9-176.3000112.3I202 F262 Q263 R301 I304 P305 I357I202-L267 HydrophobicContact CG2-CD1 3.44Å; I202-L267 VanDerWaalsContact CG2-CD1 3.44Å; F262-L267 HydrophobicContact CE1-CD2 4.03Å; Q263-L267 HydrophobicContact CB-CD1 4Å; Q263-L267 HydrophobicContact CG-CD1 3.76Å; Q263-L267 WeakPolarHBondContact O-CB 3.39Å; Q263-L267 PolarHBondContact O-N 2.81Å; L267-R301 HydrophobicContact CD2-CB 4.28Å; L267-R301 WeakPolarHBondContact CD2-O 3.25Å; L267-I304 HydrophobicContact CD1-CB 4.49Å; L267-I304 HydrophobicContact CD1-CG2 3.86Å; L267-I304 HydrophobicContact CD2-CB 4.01Å; L267-I304 HydrophobicContact CD2-CD1 3.93Å; L267-I304 HydrophobicContact CD2-CG2 4.23Å; L267-P305 HydrophobicContact CB-CG 4.42Å; L267-I357 HydrophobicContact CB-CG2 4.22Å
268Q97.4Very high95.6Very high13 Ų1348.5 Ų48.56%0.06127%0.274CS..BIsolated β-bridgetrans-141.5134.2176.6175.1179.4-13.700108.8R301 L302 P305 Q358Q268-R301 VanDerWaalsContact CB-NH1 3.28Å; Q268-R301 PolarHBondContact N-O 3.33Å; Q268-L302 VanDerWaalsContact O-CA 3.28Å; Q268-L302 WeakPolarHBondContact O-CA 3.17Å; Q268-P305 WeakPolarHBondContact O-CG 3.31Å; Q268-Q358 HydrophobicContact CB-CB 4.18Å; Q268-Q358 HydrophobicContact CG-CB 4.03Å; Q268-Q358 HydrophobicContact CG-CG 4.03Å
269V96.8Very high95.4Very high0 Ų048.2 Ų48.20%027%0.273CS..  trans-73.8133.3172.4174.40000109D271 P305 F309 I357 Q358 S359 F360 R363V269-D271 PolarHBondContact O-N 3.12Å; V269-P305 HydrophobicContact CG2-CB 3.87Å; V269-P305 HydrophobicContact CG2-CG 4.34Å; V269-F309 HydrophobicContact CB-CE2 4.38Å; V269-F309 HydrophobicContact CG1-CD2 3.94Å; V269-F309 HydrophobicContact CG1-CE2 3.51Å; V269-F309 HydrophobicContact CG1-CZ 4.13Å; V269-F309 HydrophobicContact CG2-CE2 3.85Å; V269-I357 HydrophobicContact CG2-CB 4.44Å; V269-I357 HydrophobicContact CG2-CG2 3.86Å; V269-Q358 PolarHBondContact N-O 2.88Å; V269-S359 VanDerWaalsContact O-CB 3.28Å; V269-S359 WeakPolarHBondContact O-CB 3.39Å; V269-F360 HydrophobicContact CG2-CB 4.07Å; V269-F360 HydrophobicContact CG2-CD2 4.11Å; V269-R363 HydrophobicContact CG1-CB 3.42Å; V269-R363 VanDerWaalsContact CG1-CB 3.42Å; V269-R363 HydrophobicContact CG1-CG 3.51Å
270S95.3Very high95.2Very high8 Ų851.8 Ų51.86%0.05630%0.303CS..  trans-59.7132.2171.9-64.20000109.7S272 R363S270-S272 VanDerWaalsContact C-N 3.35Å; S270-S272 CarbonylContact C-O 3.44Å; S270-S272 WeakPolarHBondContact CB-O 3.31Å; S270-S272 PolarHBondContact O-N 3.36Å; S270-R363 WeakPolarHBondContact O-CD 3.36Å; S270-R363 PolarHBondContact O-NH1 3.48Å
271D91.1Very high95.1Very high87 Ų8757.5 Ų57.547%0.46533%0.33SS..SBendtrans-53.9-57.2-179.9-78.5-13.6000108.3V269 S359 R363 R366V269-D271 PolarHBondContact O-N 3.12Å; D271-S359 WeakPolarHBondContact OD1-CB 3.22Å; D271-S359 PolarHBondContact OD1-OG 2.76Å; D271-R363 WeakPolarHBondContact O-CD 3.27Å; D271-R366 PolarHBondContact O-NH1 3.37Å; D271-R366 PolarHBondContact O-NH2 3.32Å
272S92Very high94.9Very high55 Ų5556.5 Ų56.539%0.38532%0.323SS..SBendtrans-91.1177.8171.958.40000113.9S270 Y274 R363 R366S270-S272 VanDerWaalsContact C-N 3.35Å; S270-S272 CarbonylContact C-O 3.44Å; S270-S272 WeakPolarHBondContact CB-O 3.31Å; S270-S272 PolarHBondContact O-N 3.36Å; S272-Y274 PolarHBondContact O-N 3.15Å; S272-R363 PolarHBondContact O-NH1 3.03Å; S272-R366 VanDerWaalsContact CA-NH2 3.26Å
273T91.7Very high94.8Very high87 Ų8761 Ų6153%0.53435%0.352SS..SBendtrans-45.3135.4163.4-55.50000109.2D275T273-D275 PolarHBondContact O-N 3.23Å
274Y92.6Very high94.8Very high46 Ų4663.6 Ų63.618%0.1837%0.369CS..  trans-56.3125.4-174.9179.8-91.5000111.4S272 E276 A279 L302 K303 E306S272-Y274 PolarHBondContact O-N 3.15Å; Y274-E276 HydrophobicContact CE1-CB 4.29Å; Y274-E276 WeakPolarHBondContact CE1-OE2 3.35Å; Y274-E276 PolarHBondContact OH-OE1 2.99Å; Y274-E276 PolarHBondContact OH-OE2 3.32Å; Y274-A279 HydrophobicContact CE2-CB 3.84Å; Y274-L302 HydrophobicContact CD2-CB 4.32Å; Y274-L302 HydrophobicContact CE2-CB 4.08Å; Y274-K303 HydrophobicContact CE2-CB 3.85Å; Y274-K303 HydrophobicContact CE2-CG 4.47Å; Y274-E306 HydrophobicContact CG-CG 4.34Å; Y274-E306 PolarHBondContact N-OE1 3.27Å
275D93.3Very high94.9Very high72 Ų7261.2 Ų61.239%0.38535%0.346SS..  trans-126.5119.8173.4-178-60.1000107.6T273 Q277 V278 A279T273-D275 PolarHBondContact O-N 3.23Å; D275-Q277 VanDerWaalsContact C-N 3.26Å; D275-Q277 PolarHBondContact O-N 2.8Å; D275-Q277 WeakPolarHBondContact OD1-CA 3.46Å; D275-Q277 VanDerWaalsContact OD1-CB 3.32Å; D275-Q277 WeakPolarHBondContact OD1-CB 3.49Å; D275-Q277 PolarHBondContact OD1-N 3.16Å; D275-V278 HydrophobicContact CB-CB 4.11Å; D275-V278 HydrophobicContact CB-CG2 3.95Å; D275-V278 PolarHBondContact O-N 3.32Å; D275-V278 PolarHBondContact OD1-N 3.22Å; D275-V278 VanDerWaalsContact OD1-N 3.09Å; D275-A279 VanDerWaalsContact O-CB 3.31Å; D275-A279 WeakPolarHBondContact O-CB 3.42Å; D275-A279 PolarHBondContact O-N 2.92Å
276E92.7Very high94.9Very high101 Ų10162.6 Ų62.647%0.47234%0.344SS..Hα-helixtrans-60.2-35.6-176.1-170.576.1-137.600112Y274 A280Y274-E276 HydrophobicContact CE1-CB 4.29Å; Y274-E276 WeakPolarHBondContact CE1-OE2 3.35Å; Y274-E276 PolarHBondContact OH-OE1 2.99Å; Y274-E276 PolarHBondContact OH-OE2 3.32Å; E276-A280 VanDerWaalsContact O-CB 3.26Å; E276-A280 WeakPolarHBondContact O-CB 3.48Å; E276-A280 PolarHBondContact O-N 3.19Å
277Q94.3Very high94.9Very high150 Ų15063.1 Ų63.170%0.70135%0.346SS*.Hα-helixtrans-72.6-39.2-179.1-58.8-178.2-0.900111.4D275 Q281D275-Q277 VanDerWaalsContact C-N 3.26Å; D275-Q277 PolarHBondContact O-N 2.8Å; D275-Q277 WeakPolarHBondContact OD1-CA 3.46Å; D275-Q277 VanDerWaalsContact OD1-CB 3.32Å; D275-Q277 WeakPolarHBondContact OD1-CB 3.49Å; D275-Q277 PolarHBondContact OD1-N 3.16Å; Q277-Q281 WeakPolarHBondContact O-CG 3.47Å
278V94.2Very high94.9Very high78 Ų7867.3 Ų67.347%0.47337%0.365SS..Hα-helixtrans-68.3-44.3174.4179.30000110.2D275 A280 Q281 M282D275-V278 HydrophobicContact CB-CB 4.11Å; D275-V278 HydrophobicContact CB-CG2 3.95Å; D275-V278 PolarHBondContact O-N 3.32Å; D275-V278 PolarHBondContact OD1-N 3.22Å; D275-V278 VanDerWaalsContact OD1-N 3.09Å; V278-A280 VanDerWaalsContact C-N 3.32Å; V278-A280 PolarHBondContact O-N 3.39Å; V278-Q281 PolarHBondContact O-N 2.86Å; V278-Q281 VanDerWaalsContact O-N 3.12Å; V278-M282 PolarHBondContact O-N 3.28Å
279A94Very high94.9Very high3 Ų366.7 Ų66.73%0.02536%0.363CS..Hα-helixtrans-62.3-38.2178.700000112.2Y274 D275 Q281 M282 A299 L302Y274-A279 HydrophobicContact CE2-CB 3.84Å; D275-A279 VanDerWaalsContact O-CB 3.31Å; D275-A279 WeakPolarHBondContact O-CB 3.42Å; D275-A279 PolarHBondContact O-N 2.92Å; A279-Q281 PolarHBondContact O-N 2.83Å; A279-M282 WeakPolarHBondContact O-CB 3.24Å; A279-M282 PolarHBondContact O-N 3.42Å; A279-M282 VanDerWaalsContact O-N 3.14Å; A279-A299 HydrophobicContact CB-CB 3.72Å; A279-L302 HydrophobicContact CB-CD1 4.39Å
280A94.3Very high95Very high75 Ų7568.1 Ų68.162%0.6237%0.372SS*.THydrogen-bonded Turntrans-67.1-17.8176.600000114.1E276 V278E276-A280 VanDerWaalsContact O-CB 3.26Å; E276-A280 WeakPolarHBondContact O-CB 3.48Å; E276-A280 PolarHBondContact O-N 3.19Å; V278-A280 VanDerWaalsContact C-N 3.32Å; V278-A280 PolarHBondContact O-N 3.39Å
281Q94.8Very high95.1Very high161 Ų16168 Ų6875%0.75237%0.37SS*.THydrogen-bonded Turntrans-90.1-10.7175.4-66.9172.219.200112.8Q277 V278 A279Q277-Q281 WeakPolarHBondContact O-CG 3.47Å; V278-Q281 PolarHBondContact O-N 2.86Å; V278-Q281 VanDerWaalsContact O-N 3.12Å; A279-Q281 PolarHBondContact O-N 2.83Å
282M94.4Very high95.3Very high66 Ų6663.9 Ų63.933%0.32535%0.349SS..SBendtrans-72.1144.3178.6-69.6-68-72.500110.7V278 A279 T284 L302V278-M282 PolarHBondContact O-N 3.28Å; A279-M282 WeakPolarHBondContact O-CB 3.24Å; A279-M282 PolarHBondContact O-N 3.42Å; A279-M282 VanDerWaalsContact O-N 3.14Å; M282-T284 PolarHBondContact O-N 3.42Å; M282-L302 HydrophobicContact CG-CD2 4.43Å
283P95.9Very high95.6Very high94 Ų9463.1 Ų63.161%0.6134%0.338SS*.PPolyproline II helixtrans-56.1140.9172.3-24.534.1000111.6R301P283-R301 PolarHBondContact O-NH2 3.14Å
284T97Very high95.9Very high74 Ų7459.8 Ų59.845%0.45432%0.317SS..PPolyproline II helixtrans-67.4156.6170.5530000110.7M282 D296 F297M282-T284 PolarHBondContact O-N 3.42Å; T284-D296 HydrophobicContact CG2-CB 4.19Å; T284-D296 PolarHBondContact OG1-OD2 3.12Å; T284-F297 CarbonylContact C-O 3.47Å; T284-F297 WeakPolarHBondContact CA-O 3.31Å
285V97.7Very high96.1Very high40 Ų4058 Ų5824%0.24231%0.311CS..EExtended strand (participates in β ladder)trans-118.5124.4171.9174.90000108.5V266 F297V266-V285 HydrophobicContact CG1-CB 4.33Å; V266-V285 HydrophobicContact CG1-CG1 4.33Å; V266-V285 HydrophobicContact CG2-CG1 4.35Å; V285-F297 PolarHBondContact N-O 3.22Å; V285-F297 PolarHBondContact O-N 2.98Å
286H97.6Very high96.3Very high96 Ų9657.2 Ų57.244%0.44431%0.307SS..EExtended strand (participates in β ladder)trans-74.6139.8176.8-171.473.8000111.4N294 D296H286-N294 PolarHBondContact CE1-OD1 2.58Å; H286-D296 WeakPolarHBondContact CA-OD1 3.19Å; H286-D296 WeakPolarHBondContact CB-OD1 3.49Å; H286-D296 IonicContact CG-OD1 3.55Å; H286-D296 IonicContact ND1-OD1 2.94Å; H286-D296 PolarHBondContact ND1-OD1 2.94Å
287Y98.1Very high96.5Very high14 Ų1452.4 Ų52.46%0.05528%0.284CS..EExtended strand (participates in β ladder)trans-143135.5170.8-175.8-97000111.8D261 F262 V266 F289 N294 C295D261-Y287 WeakPolarHBondContact OD2-CE2 3.46Å; D261-Y287 PolarHBondContact OD2-OH 3.31Å; F262-Y287 HydrophobicContact CB-CE1 4.03Å; F262-Y287 HydrophobicContact CB-CE2 4.25Å; F262-Y287 AromaticContact CD2-CD1 3.7Å; F262-Y287 HydrophobicContact CD2-CD1 3.7Å; F262-Y287 HydrophobicContact CD2-CD2 4.33Å; F262-Y287 AromaticContact CD2-CE1 3.95Å; F262-Y287 HydrophobicContact CD2-CE1 3.95Å; F262-Y287 AromaticContact CD2-CG 3.9Å; F262-Y287 HydrophobicContact CD2-CG 3.9Å; F262-Y287 HydrophobicContact CE2-CD1 4.48Å; F262-Y287 PolarHBondContact N-OH 3.05Å; V266-Y287 HydrophobicContact CG2-CD2 3.66Å; V266-Y287 HydrophobicContact CG2-CG 3.8Å; Y287-F289 HydrophobicContact CD1-CD1 4.45Å; Y287-F289 AromaticContact CD1-CD2 3.82Å; Y287-F289 HydrophobicContact CD1-CD2 3.82Å; Y287-F289 HydrophobicContact CD1-CE1 4.38Å; Y287-F289 AromaticContact CD1-CE2 3.75Å; Y287-F289 HydrophobicContact CD1-CE2 3.75Å; Y287-F289 HydrophobicContact CD1-CG 4.19Å; Y287-F289 HydrophobicContact CD1-CZ 4.03Å; Y287-F289 AromaticContact CE1-CD1 3.9Å; Y287-F289 HydrophobicContact CE1-CD1 3.9Å; Y287-F289 HydrophobicContact CE1-CD2 4.04Å; Y287-F289 AromaticContact CE1-CE1 4Å; Y287-F289 HydrophobicContact CE1-CE1 4Å; Y287-F289 HydrophobicContact CE1-CE2 4.15Å; Y287-F289 AromaticContact CE1-CG 3.92Å; Y287-F289 HydrophobicContact CE1-CG 3.92Å; Y287-F289 HydrophobicContact CE1-CZ 4.13Å; Y287-N294 VanDerWaalsContact O-CA 3.29Å; Y287-N294 WeakPolarHBondContact O-CA 3.48Å; Y287-C295 PolarHBondContact N-O 3.23Å; Y287-C295 VanDerWaalsContact N-O 3.14Å; Y287-C295 PolarHBondContact O-N 3.48Å
288E97.6Very high96.6Very high93 Ų9345.9 Ų45.944%0.43526%0.257SS..EExtended strand (participates in β ladder)trans-108.4118174.6-176.9-175.4159.200110.1K226 N294K226-E288 IonicContact NZ-OE1 2.67Å; K226-E288 PolarHBondContact NZ-OE1 3.17Å; E288-N294 HydrophobicContact CB-CB 3.95Å; E288-N294 HydrophobicContact CG-CB 4.07Å
289F98Very high96.6Very high1 Ų142.7 Ų42.70%0.00424%0.239CC..  trans-69.9158.9174.5-71.1-96.7000111.3F210 I215 V258 F262 Y287 N291 G292 Y293 F297F210-F289 HydrophobicContact CD1-CZ 4.21Å; F210-F289 HydrophobicContact CD2-CE1 4.39Å; F210-F289 HydrophobicContact CE1-CE1 4.11Å; F210-F289 AromaticContact CE1-CZ 3.73Å; F210-F289 HydrophobicContact CE1-CZ 3.73Å; F210-F289 AromaticContact CE2-CE1 3.87Å; F210-F289 HydrophobicContact CE2-CE1 3.87Å; F210-F289 HydrophobicContact CE2-CZ 4.34Å; F210-F289 AromaticContact CZ-CE1 3.72Å; F210-F289 HydrophobicContact CZ-CE1 3.72Å; F210-F289 AromaticContact CZ-CZ 3.8Å; F210-F289 HydrophobicContact CZ-CZ 3.8Å; I215-F289 HydrophobicContact CD1-CE2 4.29Å; I215-F289 HydrophobicContact CD1-CZ 4.26Å; I215-F289 HydrophobicContact CG2-CD1 4.41Å; I215-F289 HydrophobicContact CG2-CD2 4.36Å; I215-F289 HydrophobicContact CG2-CE1 3.99Å; I215-F289 HydrophobicContact CG2-CE2 3.92Å; I215-F289 HydrophobicContact CG2-CZ 3.73Å; V258-F289 HydrophobicContact CG1-CD1 4.31Å; F262-F289 HydrophobicContact CD2-CZ 4.45Å; Y287-F289 HydrophobicContact CD1-CD1 4.45Å; Y287-F289 AromaticContact CD1-CD2 3.82Å; Y287-F289 HydrophobicContact CD1-CD2 3.82Å; Y287-F289 HydrophobicContact CD1-CE1 4.38Å; Y287-F289 AromaticContact CD1-CE2 3.75Å; Y287-F289 HydrophobicContact CD1-CE2 3.75Å; Y287-F289 HydrophobicContact CD1-CG 4.19Å; Y287-F289 HydrophobicContact CD1-CZ 4.03Å; Y287-F289 AromaticContact CE1-CD1 3.9Å; Y287-F289 HydrophobicContact CE1-CD1 3.9Å; Y287-F289 HydrophobicContact CE1-CD2 4.04Å; Y287-F289 AromaticContact CE1-CE1 4Å; Y287-F289 HydrophobicContact CE1-CE1 4Å; Y287-F289 HydrophobicContact CE1-CE2 4.15Å; Y287-F289 AromaticContact CE1-CG 3.92Å; Y287-F289 HydrophobicContact CE1-CG 3.92Å; Y287-F289 HydrophobicContact CE1-CZ 4.13Å; F289-N291 WeakPolarHBondContact CB-OD1 3.45Å; F289-N291 PolarHBondContact O-N 2.87Å; F289-G292 PolarHBondContact O-N 3.37Å; F289-Y293 WeakPolarHBondContact CB-O 3.19Å; F289-Y293 AromaticContact CD2-CD1 3.59Å; F289-Y293 HydrophobicContact CD2-CD1 3.59Å; F289-Y293 HydrophobicContact CD2-CE1 4.34Å; F289-Y293 WeakPolarHBondContact CD2-O 3.47Å; F289-Y293 AromaticContact CE2-CD1 3.9Å; F289-Y293 HydrophobicContact CE2-CD1 3.9Å; F289-Y293 HydrophobicContact CE2-CE1 4.21Å; F289-Y293 HydrophobicContact CG-CD1 4.42Å; F289-Y293 PolarHBondContact N-O 3.23Å; F289-F297 HydrophobicContact CE2-CE2 4.18Å; F289-F297 AromaticContact CE2-CZ 3.88Å; F289-F297 HydrophobicContact CE2-CZ 3.88Å; F289-F297 HydrophobicContact CZ-CZ 4.03Å
290P97.7Very high96.6Very high30 Ų3044.9 Ų44.920%0.19525%0.249CC..THydrogen-bonded Turntrans-53.7-34.5-177.9-3036.2000114.7P220 I223 K226 V258 G292P220-P290 HydrophobicContact CG-CB 3.96Å; P220-P290 HydrophobicContact CG-CG 4.06Å; I223-P290 VanDerWaalsContact CD1-C 3.41Å; I223-P290 HydrophobicContact CD1-CB 3.75Å; K226-P290 WeakPolarHBondContact CD-O 3.25Å; K226-P290 WeakPolarHBondContact CE-O 3.41Å; K226-P290 PolarHBondContact NZ-O 3.44Å; V258-P290 HydrophobicContact CG1-CG 3.83Å; V258-P290 HydrophobicContact CG2-CG 3.85Å; P290-G292 PolarHBondContact O-N 3.47Å
291N97Very high96.6Very high4 Ų441.6 Ų41.62%0.02122%0.22CC..THydrogen-bonded Turntrans-76.5-3.6178.164.7-11000114.3V218 I223 A235 W237 F289 Y293V218-N291 HydrophobicContact CB-CB 3.95Å; V218-N291 HydrophobicContact CG1-CB 4.23Å; V218-N291 HydrophobicContact CG2-CB 4.34Å; I223-N291 HydrophobicContact CD1-CB 3.89Å; I223-N291 HydrophobicContact CG1-CB 4.34Å; A235-N291 HydrophobicContact CB-CB 4.34Å; W237-N291 HydrophobicContact CB-CB 4.36Å; W237-N291 HydrophobicContact CD2-CB 4.18Å; W237-N291 HydrophobicContact CG-CB 3.87Å; F289-N291 WeakPolarHBondContact CB-OD1 3.45Å; F289-N291 PolarHBondContact O-N 2.87Å; N291-Y293 WeakPolarHBondContact OD1-CB 3.45Å; N291-Y293 PolarHBondContact OD1-N 3.32Å; N291-Y293 VanDerWaalsContact OD1-N 3.16Å
292G97.1Very high96.7Very high1 Ų134.1 Ų34.11%0.0119%0.186CC..SBendtrans91.4-4.5-179.400000114.6V229 F289 P290 N294V229-G292 WeakPolarHBondContact CG2-O 3.27Å; F289-G292 PolarHBondContact O-N 3.37Å; P290-G292 PolarHBondContact O-N 3.47Å; G292-N294 PolarHBondContact O-N 3.2Å; G292-N294 PolarHBondContact O-ND2 3.18Å
293Y97.6Very high96.7Very high39 Ų3936.2 Ų36.215%0.15319%0.193CC..  trans-59.7131.9166.3179.3-105.7000108.2I215 S233 F289 N291 C295I215-Y293 HydrophobicContact CB-CE1 4.35Å; I215-Y293 HydrophobicContact CD1-CE1 3.82Å; I215-Y293 HydrophobicContact CG1-CD1 4.41Å; I215-Y293 HydrophobicContact CG1-CE1 3.61Å; I215-Y293 HydrophobicContact CG2-CD1 3.89Å; I215-Y293 HydrophobicContact CG2-CE1 3.96Å; S233-Y293 WeakPolarHBondContact O-CD2 3.45Å; F289-Y293 WeakPolarHBondContact CB-O 3.19Å; F289-Y293 AromaticContact CD2-CD1 3.59Å; F289-Y293 HydrophobicContact CD2-CD1 3.59Å; F289-Y293 HydrophobicContact CD2-CE1 4.34Å; F289-Y293 WeakPolarHBondContact CD2-O 3.47Å; F289-Y293 AromaticContact CE2-CD1 3.9Å; F289-Y293 HydrophobicContact CE2-CD1 3.9Å; F289-Y293 HydrophobicContact CE2-CE1 4.21Å; F289-Y293 HydrophobicContact CG-CD1 4.42Å; F289-Y293 PolarHBondContact N-O 3.23Å; N291-Y293 WeakPolarHBondContact OD1-CB 3.45Å; N291-Y293 PolarHBondContact OD1-N 3.32Å; N291-Y293 VanDerWaalsContact OD1-N 3.16Å; Y293-C295 HydrophobicContact CE1-CB 4.27Å
294N97.5Very high96.6Very high17 Ų1732.3 Ų32.39%0.09117%0.167CC..EExtended strand (participates in β ladder)trans-143.1142.6179.762.889.3000110.2V229 E231 G232 H286 Y287 E288 G292V229-N294 PolarHBondContact O-ND2 3.49Å; E231-N294 WeakPolarHBondContact CA-OD1 3.28Å; G232-N294 PolarHBondContact N-O 3.11Å; H286-N294 PolarHBondContact CE1-OD1 2.58Å; Y287-N294 VanDerWaalsContact O-CA 3.29Å; Y287-N294 WeakPolarHBondContact O-CA 3.48Å; E288-N294 HydrophobicContact CB-CB 3.95Å; E288-N294 HydrophobicContact CG-CB 4.07Å; G292-N294 PolarHBondContact O-N 3.2Å; G292-N294 PolarHBondContact O-ND2 3.18Å
295C96.8Very high96.5Very high9 Ų928.8 Ų28.86%0.06115%0.145CC..EExtended strand (participates in β ladder)trans-157.3161.5176.861.30000110.2Y287 Y293 F297Y287-C295 PolarHBondContact N-O 3.23Å; Y287-C295 VanDerWaalsContact N-O 3.14Å; Y287-C295 PolarHBondContact O-N 3.48Å; Y293-C295 HydrophobicContact CE1-CB 4.27Å; C295-F297 WeakPolarHBondContact SG-CE2 3.26Å; C295-F297 WeakPolarHBondContact SG-CZ 3.39Å
296D97Very high96.4Very high55 Ų5527.3 Ų27.329%0.29414%0.136SC..EExtended strand (participates in β ladder)trans-84.4137.4170.9-84.716.4000111.8E231 T284 H286E231-D296 VanDerWaalsContact OE1-CB 3.29Å; E231-D296 WeakPolarHBondContact OE1-CB 3.16Å; E231-D296 PolarHBondContact OE1-N 2.61Å; T284-D296 HydrophobicContact CG2-CB 4.19Å; T284-D296 PolarHBondContact OG1-OD2 3.12Å; H286-D296 WeakPolarHBondContact CA-OD1 3.19Å; H286-D296 WeakPolarHBondContact CB-OD1 3.49Å; H286-D296 IonicContact CG-OD1 3.55Å; H286-D296 IonicContact ND1-OD1 2.94Å; H286-D296 PolarHBondContact ND1-OD1 2.94Å
297F97.5Very high96.2Very high0 Ų023 Ų230%012%0.116CC..EExtended strand (participates in β ladder)trans-108.1124.2176.1-67.7-90.8000111L209 F210 M213 I215 F262 V266 T284 V285 F289 C295 E300 R301L209-F297 HydrophobicContact CD2-CD1 4.37Å; L209-F297 HydrophobicContact CD2-CE1 4.32Å; F210-F297 HydrophobicContact CE1-CE1 4.47Å; M213-F297 HydrophobicContact CE-CD1 4.35Å; M213-F297 HydrophobicContact CE-CE1 3.99Å; M213-F297 HydrophobicContact SD-CD1 4.35Å; M213-F297 HydrophobicContact SD-CE1 3.86Å; I215-F297 HydrophobicContact CD1-CE1 4.2Å; I215-F297 HydrophobicContact CD1-CZ 3.97Å; F262-F297 HydrophobicContact CD2-CE2 4.41Å; F262-F297 HydrophobicContact CD2-CZ 4.44Å; F262-F297 AromaticContact CE2-CD1 3.96Å; F262-F297 HydrophobicContact CE2-CD1 3.96Å; F262-F297 AromaticContact CE2-CD2 3.82Å; F262-F297 HydrophobicContact CE2-CD2 3.82Å; F262-F297 AromaticContact CE2-CE1 3.74Å; F262-F297 HydrophobicContact CE2-CE1 3.74Å; F262-F297 AromaticContact CE2-CE2 3.61Å; F262-F297 HydrophobicContact CE2-CE2 3.61Å; F262-F297 AromaticContact CE2-CG 3.99Å; F262-F297 HydrophobicContact CE2-CG 3.99Å; F262-F297 AromaticContact CE2-CZ 3.55Å; F262-F297 HydrophobicContact CE2-CZ 3.55Å; F262-F297 AromaticContact CZ-CD1 3.94Å; F262-F297 HydrophobicContact CZ-CD1 3.94Å; F262-F297 AromaticContact CZ-CE1 3.9Å; F262-F297 HydrophobicContact CZ-CE1 3.9Å; F262-F297 HydrophobicContact CZ-CG 4.25Å; F262-F297 HydrophobicContact CZ-CZ 4.19Å; V266-F297 HydrophobicContact CG1-CB 3.67Å; V266-F297 HydrophobicContact CG1-CD2 4.14Å; V266-F297 HydrophobicContact CG1-CG 3.96Å; T284-F297 CarbonylContact C-O 3.47Å; T284-F297 WeakPolarHBondContact CA-O 3.31Å; V285-F297 PolarHBondContact N-O 3.22Å; V285-F297 PolarHBondContact O-N 2.98Å; F289-F297 HydrophobicContact CE2-CE2 4.18Å; F289-F297 AromaticContact CE2-CZ 3.88Å; F289-F297 HydrophobicContact CE2-CZ 3.88Å; F289-F297 HydrophobicContact CZ-CZ 4.03Å; C295-F297 WeakPolarHBondContact SG-CE2 3.26Å; C295-F297 WeakPolarHBondContact SG-CZ 3.39Å; F297-E300 WeakPolarHBondContact CA-OE1 3.29Å; F297-E300 HydrophobicContact CD1-CG 4.16Å; F297-R301 HydrophobicContact CB-CB 4.41Å; F297-R301 WeakPolarHBondContact O-CD 3.41Å
298G95.8Very high96.1Very high13 Ų1322.3 Ų22.313%0.13411%0.114CC..  trans-100.3-125.8-17700000113E300 R301G298-E300 VanDerWaalsContact C-OE2 3.22Å; G298-E300 WeakPolarHBondContact CA-OE2 3.34Å; G298-E300 PolarHBondContact N-OE1 3.31Å; G298-E300 PolarHBondContact N-OE2 3.35Å; G298-E300 PolarHBondContact O-N 3.14Å; G298-R301 WeakPolarHBondContact O-CG 3.29Å; G298-R301 PolarHBondContact O-N 3.46Å
299A95Very high96Very high11 Ų1118 Ų189%0.0919%0.094CC..THydrogen-bonded Turntrans-60.8-27.1-174.700000113.9A279 R301 L302 K303A279-A299 HydrophobicContact CB-CB 3.72Å; A299-R301 VanDerWaalsContact C-N 3.27Å; A299-R301 PolarHBondContact O-N 2.97Å; A299-L302 PolarHBondContact O-N 2.76Å; A299-L302 VanDerWaalsContact O-N 3.1Å; A299-K303 PolarHBondContact O-N 3.31Å
300E93.3Very high95.7Very high49 Ų4920.2 Ų20.223%0.22911%0.105CC..Hα-helixtrans-62.2-30.8179.566-80-17400113.2L209 F297 G298 L302 K303 I304L209-E300 HydrophobicContact CD1-CB 3.92Å; L209-E300 HydrophobicContact CD1-CG 3.99Å; L209-E300 HydrophobicContact CD2-CB 4.25Å; L209-E300 HydrophobicContact CD2-CG 3.86Å; F297-E300 WeakPolarHBondContact CA-OE1 3.29Å; F297-E300 HydrophobicContact CD1-CG 4.16Å; G298-E300 VanDerWaalsContact C-OE2 3.22Å; G298-E300 WeakPolarHBondContact CA-OE2 3.34Å; G298-E300 PolarHBondContact N-OE1 3.31Å; G298-E300 PolarHBondContact N-OE2 3.35Å; G298-E300 PolarHBondContact O-N 3.14Å; E300-L302 PolarHBondContact O-N 2.91Å; E300-K303 PolarHBondContact O-N 3.42Å; E300-I304 PolarHBondContact O-N 2.6Å
301R95.6Very high95.4Very high6 Ų619.9 Ų19.92%0.02310%0.104CC..Hα-helixtrans-68.3-20.1176.883.2-162.7171.976.51.6113V266 L267 Q268 P283 F297 G298 A299 P305V266-R301 HydrophobicContact CG1-CB 3.84Å; V266-R301 WeakPolarHBondContact O-CD 3.43Å; L267-R301 HydrophobicContact CD2-CB 4.28Å; L267-R301 WeakPolarHBondContact CD2-O 3.25Å; Q268-R301 VanDerWaalsContact CB-NH1 3.28Å; Q268-R301 PolarHBondContact N-O 3.33Å; P283-R301 PolarHBondContact O-NH2 3.14Å; F297-R301 HydrophobicContact CB-CB 4.41Å; F297-R301 WeakPolarHBondContact O-CD 3.41Å; G298-R301 WeakPolarHBondContact O-CG 3.29Å; G298-R301 PolarHBondContact O-N 3.46Å; A299-R301 VanDerWaalsContact C-N 3.27Å; A299-R301 PolarHBondContact O-N 2.97Å; R301-P305 VanDerWaalsContact O-CD 3.24Å; R301-P305 WeakPolarHBondContact O-CD 3.46Å
302L96.4Very high94.8Very high5 Ų523.2 Ų23.23%0.02613%0.127CC..Hα-helixtrans-90.4-29.8174.4-59.7101000112.7Q268 Y274 A279 M282 A299 E300 P305 E306Q268-L302 VanDerWaalsContact O-CA 3.28Å; Q268-L302 WeakPolarHBondContact O-CA 3.17Å; Y274-L302 HydrophobicContact CD2-CB 4.32Å; Y274-L302 HydrophobicContact CE2-CB 4.08Å; A279-L302 HydrophobicContact CB-CD1 4.39Å; M282-L302 HydrophobicContact CG-CD2 4.43Å; A299-L302 PolarHBondContact O-N 2.76Å; A299-L302 VanDerWaalsContact O-N 3.1Å; E300-L302 PolarHBondContact O-N 2.91Å; L302-P305 WeakPolarHBondContact O-CD 3.48Å; L302-E306 PolarHBondContact O-N 3.19Å
303K93.6Very high93.8Very high110 Ų11029 Ų2948%0.47816%0.158SC..Hα-helixtrans-69.1-37.3-178.9-170.1171.9-174.3162.80113.1Y274 A299 E300 E306Y274-K303 HydrophobicContact CE2-CB 3.85Å; Y274-K303 HydrophobicContact CE2-CG 4.47Å; A299-K303 PolarHBondContact O-N 3.31Å; E300-K303 PolarHBondContact O-N 3.42Å; K303-E306 WeakPolarHBondContact O-CB 3.23Å; K303-E306 PolarHBondContact O-N 3.14Å
304I94.2Very high92.9Very high12 Ų1228 Ų286%0.06216%0.156CC..Hα-helixtrans-60.5-57.7179.7-69.9168.1000112.1I202 Q205 L209 L267 E300 E306 G307I202-I304 HydrophobicContact CG2-CG2 3.77Å; Q205-I304 HydrophobicContact CB-CG1 4.36Å; Q205-I304 HydrophobicContact CB-CG2 3.92Å; L209-I304 HydrophobicContact CB-CD1 4.22Å; L209-I304 HydrophobicContact CD2-CD1 3.63Å; L267-I304 HydrophobicContact CD1-CB 4.49Å; L267-I304 HydrophobicContact CD1-CG2 3.86Å; L267-I304 HydrophobicContact CD2-CB 4.01Å; L267-I304 HydrophobicContact CD2-CD1 3.93Å; L267-I304 HydrophobicContact CD2-CG2 4.23Å; E300-I304 PolarHBondContact O-N 2.6Å; I304-E306 PolarHBondContact O-N 2.78Å; I304-G307 PolarHBondContact O-N 2.89Å
305P96Very high91.6Very high0 Ų032.9 Ų32.90%018%0.176CC..Hα-helixtrans-71.9-14.4-179.230.6-37.5000113L267 Q268 V269 R301 L302 G307 L308 I357L267-P305 HydrophobicContact CB-CG 4.42Å; Q268-P305 WeakPolarHBondContact O-CG 3.31Å; V269-P305 HydrophobicContact CG2-CB 3.87Å; V269-P305 HydrophobicContact CG2-CG 4.34Å; R301-P305 VanDerWaalsContact O-CD 3.24Å; R301-P305 WeakPolarHBondContact O-CD 3.46Å; L302-P305 WeakPolarHBondContact O-CD 3.48Å; P305-G307 PolarHBondContact O-N 2.93Å; P305-L308 VanDerWaalsContact O-CB 3.29Å; P305-L308 WeakPolarHBondContact O-CB 3.42Å; P305-L308 WeakPolarHBondContact O-CG 3.45Å; P305-L308 PolarHBondContact O-N 3.15Å; P305-I357 HydrophobicContact CB-CD1 4.47Å; P305-I357 HydrophobicContact CB-CG2 4.36Å
306E95.5Very high90Very high9 Ų936 Ų364%0.04221%0.21CC..Hα-helixtrans-56.3-35.9170.5-17663.4-166.900111.7Y274 L302 K303 I304 L308 F309 D310 R363Y274-E306 HydrophobicContact CG-CG 4.34Å; Y274-E306 PolarHBondContact N-OE1 3.27Å; L302-E306 PolarHBondContact O-N 3.19Å; K303-E306 WeakPolarHBondContact O-CB 3.23Å; K303-E306 PolarHBondContact O-N 3.14Å; I304-E306 PolarHBondContact O-N 2.78Å; E306-L308 PolarHBondContact O-N 2.93Å; E306-F309 PolarHBondContact O-N 3.04Å; E306-D310 HydrophobicContact CG-CB 4.46Å; E306-D310 PolarHBondContact O-N 2.97Å; E306-R363 IonicContact OE1-CZ 2.93Å; E306-R363 IonicContact OE1-NH1 3.09Å; E306-R363 PolarHBondContact OE1-NH1 2.78Å; E306-R363 IonicContact OE1-NH2 3.03Å; E306-R363 PolarHBondContact OE1-NH2 2.8Å; E306-R363 IonicContact OE2-CZ 3.68Å; E306-R363 IonicContact OE2-NH1 3.81Å; E306-R363 PolarHBondContact OE2-NH1 3.27Å; E306-R363 IonicContact OE2-NH2 3.86Å; E306-R363 PolarHBondContact OE2-NH2 3.03Å
307G93.6Very high88.5Confident4 Ų435.7 Ų35.74%0.04121%0.208CC..Hα-helixtrans-58.5-19.5177.800000114.1I304 P305I304-G307 PolarHBondContact O-N 2.89Å; P305-G307 PolarHBondContact O-N 2.93Å
308L95.4Very high86.1Confident0 Ų041.8 Ų41.80%025%0.251CS..Hα-helixtrans-71.7-34.4171.2-57.8176.1000112.1L197 F201 I202 P305 E306 G324 V325 I357 F360L197-L308 HydrophobicContact CB-CD2 4.24Å; L197-L308 WeakPolarHBondContact O-CD2 3.46Å; F201-L308 HydrophobicContact CD1-CD2 4.02Å; F201-L308 HydrophobicContact CE1-CD2 4.45Å; I202-L308 HydrophobicContact CD1-CD1 3.73Å; I202-L308 HydrophobicContact CD1-CD2 4.07Å; I202-L308 HydrophobicContact CD1-CG 4.23Å; I202-L308 HydrophobicContact CG1-CD1 4.35Å; I202-L308 HydrophobicContact CG1-CD2 4.01Å; I202-L308 HydrophobicContact CG1-CG 4.33Å; P305-L308 VanDerWaalsContact O-CB 3.29Å; P305-L308 WeakPolarHBondContact O-CB 3.42Å; P305-L308 WeakPolarHBondContact O-CG 3.45Å; P305-L308 PolarHBondContact O-N 3.15Å; E306-L308 PolarHBondContact O-N 2.93Å; L308-G324 CarbonylContact O-C 3.53Å; L308-G324 WeakPolarHBondContact O-CA 3.43Å; L308-V325 HydrophobicContact CB-CG2 3.97Å; L308-V325 WeakPolarHBondContact O-CG2 3.4Å; L308-V325 PolarHBondContact O-N 3.43Å; L308-I357 HydrophobicContact CD1-CD1 4.34Å; L308-F360 HydrophobicContact CD1-CD2 4.45Å; L308-F360 HydrophobicContact CD1-CE2 4.07Å
309F95.5Very high84.1Confident4 Ų442.9 Ų42.92%0.01826%0.262CS..Hα-helixtrans-94.9-39.9-176.2-70.8-89.6000112.3V269 E306 V325 F360 R363 L364V269-F309 HydrophobicContact CB-CE2 4.38Å; V269-F309 HydrophobicContact CG1-CD2 3.94Å; V269-F309 HydrophobicContact CG1-CE2 3.51Å; V269-F309 HydrophobicContact CG1-CZ 4.13Å; V269-F309 HydrophobicContact CG2-CE2 3.85Å; E306-F309 PolarHBondContact O-N 3.04Å; F309-V325 HydrophobicContact CD1-CB 4.32Å; F309-V325 HydrophobicContact CE1-CB 4.16Å; F309-F360 AromaticContact CE2-CD2 3.85Å; F309-F360 HydrophobicContact CE2-CD2 3.85Å; F309-F360 AromaticContact CE2-CE2 3.93Å; F309-F360 HydrophobicContact CE2-CE2 3.93Å; F309-F360 AromaticContact CZ-CD2 3.88Å; F309-F360 HydrophobicContact CZ-CD2 3.88Å; F309-F360 AromaticContact CZ-CE2 3.87Å; F309-F360 HydrophobicContact CZ-CE2 3.87Å; F309-F360 HydrophobicContact CZ-CG 4.24Å; F309-F360 HydrophobicContact CZ-CZ 4.23Å; F309-R363 HydrophobicContact CD1-CG 3.61Å; F309-R363 HydrophobicContact CD2-CG 4.1Å; F309-R363 HydrophobicContact CE1-CB 4.21Å; F309-R363 HydrophobicContact CE1-CG 3.47Å; F309-R363 VanDerWaalsContact CE1-CG 3.47Å; F309-R363 HydrophobicContact CE2-CG 3.99Å; F309-R363 HydrophobicContact CG-CG 3.92Å; F309-R363 HydrophobicContact CZ-CB 4.1Å; F309-R363 HydrophobicContact CZ-CG 3.67Å; F309-L364 HydrophobicContact CE1-CB 4.06Å; F309-L364 HydrophobicContact CE1-CD1 4.36Å; F309-L364 HydrophobicContact CZ-CB 4.4Å
310D92.5Very high82.2Confident46 Ų4650.1 Ų50.125%0.24630%0.299CS..  trans-130.995.4178.5-175.27.9000111.5E306 S312E306-D310 HydrophobicContact CG-CB 4.46Å; E306-D310 PolarHBondContact O-N 2.97Å; D310-S312 PolarHBondContact O-N 2.9Å; D310-S312 WeakPolarHBondContact OD1-CB 3.41Å; D310-S312 PolarHBondContact OD1-N 3.03Å; D310-S312 PolarHBondContact OD1-OG 3.44Å; D310-S312 PolarHBondContact OD2-OG 3.31Å; D310-S312 VanDerWaalsContact OD2-OG 3.1Å
311P89.5Confident81.2Confident24 Ų2453.7 Ų53.716%0.15633%0.325CS..G310 helixtrans-75.6-4.717927.4-30.5000114.2L197 N313 V314 M322L197-P311 HydrophobicContact CD1-CB 3.7Å; L197-P311 HydrophobicContact CD1-CG 3.97Å; P311-N313 PolarHBondContact O-N 3.2Å; P311-V314 PolarHBondContact O-N 3.33Å; P311-M322 HydrophobicContact CB-CB 4.28Å; P311-M322 HydrophobicContact CG-CB 4.32Å; P311-M322 VanDerWaalsContact CG-O 3.22Å; P311-M322 WeakPolarHBondContact CG-O 3.33Å
312S85.5Confident80.7Confident74 Ų7456.2 Ų56.252%0.51734%0.337SS..G310 helixtrans-62.9-26.2-175.267.20000113.5D310D310-S312 PolarHBondContact O-N 2.9Å; D310-S312 WeakPolarHBondContact OD1-CB 3.41Å; D310-S312 PolarHBondContact OD1-N 3.03Å; D310-S312 PolarHBondContact OD1-OG 3.44Å; D310-S312 PolarHBondContact OD2-OG 3.31Å; D310-S312 VanDerWaalsContact OD2-OG 3.1Å
313N76.9Confident80.5Confident123 Ų12358.7 Ų58.766%0.65835%0.35SS*.G310 helixtrans-101.85.9-176.8-64.5-52.4000113.8P311P311-N313 PolarHBondContact O-N 3.2Å
314V77.8Confident80.5Confident17 Ų1753.4 Ų53.410%0.10333%0.327CS..  trans-81.3125.5-175.7175.70000110.5F201 P311 L317F201-V314 HydrophobicContact CE2-CG1 3.43Å; F201-V314 VanDerWaalsContact CE2-CG1 3.43Å; F201-V314 HydrophobicContact CE2-CG2 4.42Å; F201-V314 HydrophobicContact CZ-CB 4.36Å; F201-V314 HydrophobicContact CZ-CG1 3.59Å; F201-V314 HydrophobicContact CZ-CG2 3.76Å; P311-V314 PolarHBondContact O-N 3.33Å; V314-L317 HydrophobicContact CB-CB 4.46Å; V314-L317 HydrophobicContact CB-CD1 3.76Å; V314-L317 HydrophobicContact CB-CG 4.27Å; V314-L317 HydrophobicContact CG1-CB 4.33Å; V314-L317 HydrophobicContact CG1-CD1 3.46Å; V314-L317 VanDerWaalsContact CG1-CD1 3.46Å; V314-L317 HydrophobicContact CG1-CG 3.73Å; V314-L317 HydrophobicContact CG2-CD1 4.36Å
315K69.3Low80.7Confident119 Ų11953 Ų5352%0.51733%0.325SS..THydrogen-bonded Turntrans-65.5140.5177.5-62.9-179.4-173.91760110.3E212 L317E212-K315 IonicContact OE1-NZ 3.17Å; E212-K315 PolarHBondContact OE1-NZ 3.22Å; E212-K315 IonicContact OE2-NZ 2.79Å; K315-L317 VanDerWaalsContact C-N 3.25Å; K315-L317 PolarHBondContact O-N 3.27Å
316G65Low80.7Confident75 Ų7553 Ų5377%0.77333%0.325SS*.THydrogen-bonded Turntrans81.9-15.8176.500000115.8S318G316-S318 VanDerWaalsContact C-N 3.29Å; G316-S318 PolarHBondContact O-N 3.1Å
317L63.9Low80.7Confident48 Ų4856.6 Ų56.625%0.25134%0.342SS..  trans-80.578170.7-69.1-178000110.2L197 F201 V314 K315 G319 M322L197-L317 HydrophobicContact CD2-CD1 3.82Å; F201-L317 HydrophobicContact CE2-CD1 4.43Å; V314-L317 HydrophobicContact CB-CB 4.46Å; V314-L317 HydrophobicContact CB-CD1 3.76Å; V314-L317 HydrophobicContact CB-CG 4.27Å; V314-L317 HydrophobicContact CG1-CB 4.33Å; V314-L317 HydrophobicContact CG1-CD1 3.46Å; V314-L317 VanDerWaalsContact CG1-CD1 3.46Å; V314-L317 HydrophobicContact CG1-CG 3.73Å; V314-L317 HydrophobicContact CG2-CD1 4.36Å; K315-L317 VanDerWaalsContact C-N 3.25Å; K315-L317 PolarHBondContact O-N 3.27Å; L317-G319 PolarHBondContact O-N 3.34Å; L317-M322 HydrophobicContact CD1-SD 3.63Å; L317-M322 HydrophobicContact CD2-CE 3.34Å; L317-M322 HydrophobicContact CD2-SD 3.55Å; L317-M322 VanDerWaalsContact CD2-SD 3.55Å; L317-M322 HydrophobicContact CG-SD 4.25Å
318S47.1Very low80.9Confident129 Ų12956.4 Ų56.490%0.90234%0.34SS*.  trans-74.174.5170.5-60.10000109.8G316G316-S318 VanDerWaalsContact C-N 3.29Å; G316-S318 PolarHBondContact O-N 3.1Å
319G53.5Low81Confident36 Ų3656.4 Ų56.437%0.37134%0.34SS..  trans164.8109.8176.400000112.3L317 T321L317-G319 PolarHBondContact O-N 3.34Å; G319-T321 PolarHBondContact O-N 3.27Å
320N55.7Low81.1Confident163 Ų16357.5 Ų57.587%0.87235%0.347SS*.THydrogen-bonded Turntrans-61.621.2175.6-72-14.6000114.8
321T73.1Confident81.4Confident124 Ų12457.9 Ų57.976%0.76135%0.351SS*.THydrogen-bonded Turntrans-98.2-10.1-171.8570000113.6G319G319-T321 PolarHBondContact O-N 3.27Å
322M85.5Confident81.8Confident58 Ų5856.7 Ų56.729%0.28634%0.343SS..PPolyproline II helixtrans-78.8133.9178.2-61.7-160.7176.600110.7P196 L197 P311 L317P196-M322 HydrophobicContact CG-CE 3.58Å; P196-M322 HydrophobicContact CG-SD 3.66Å; L197-M322 HydrophobicContact CD1-CB 3.92Å; L197-M322 HydrophobicContact CD2-SD 3.69Å; L197-M322 HydrophobicContact CG-CB 4.3Å; L197-M322 HydrophobicContact CG-SD 4.02Å; P311-M322 HydrophobicContact CB-CB 4.28Å; P311-M322 HydrophobicContact CG-CB 4.32Å; P311-M322 VanDerWaalsContact CG-O 3.22Å; P311-M322 WeakPolarHBondContact CG-O 3.33Å; L317-M322 HydrophobicContact CD1-SD 3.63Å; L317-M322 HydrophobicContact CD2-CE 3.34Å; L317-M322 HydrophobicContact CD2-SD 3.55Å; L317-M322 VanDerWaalsContact CD2-SD 3.55Å; L317-M322 HydrophobicContact CG-SD 4.25Å
323L91.6Very high82.4Confident57 Ų5753.2 Ų53.230%0.29832%0.319SS..PPolyproline II helixtrans-93.2126.2178.2-60177.8000109.1V193 S195 H327 V328 T331V193-L323 HydrophobicContact CG1-CD1 3.74Å; S195-L323 WeakPolarHBondContact CB-O 3.38Å; S195-L323 PolarHBondContact OG-O 3.21Å; L323-H327 HydrophobicContact CB-CB 4.04Å; L323-H327 HydrophobicContact CD2-CB 4.13Å; L323-V328 HydrophobicContact CB-CG2 3.66Å; L323-T331 HydrophobicContact CD1-CG2 4.24Å
324G94.2Very high83.3Confident0 Ų049.1 Ų49.10%031%0.306CS..PPolyproline II helixtrans-66.2163.8166.700000112L308 S326 H327 V328L308-G324 CarbonylContact O-C 3.53Å; L308-G324 WeakPolarHBondContact O-CA 3.43Å; G324-S326 VanDerWaalsContact C-N 3.31Å; G324-S326 PolarHBondContact O-N 3.3Å; G324-S326 VanDerWaalsContact O-N 3.16Å; G324-H327 CarbonylContact O-C 3.56Å; G324-H327 WeakPolarHBondContact O-CA 3.38Å; G324-H327 WeakPolarHBondContact O-CB 3.27Å; G324-H327 PolarHBondContact O-N 2.61Å; G324-V328 WeakPolarHBondContact O-CG2 3.27Å; G324-V328 PolarHBondContact O-N 2.91Å
325V96.8Very high84.3Confident3 Ų353 Ų532%0.01832%0.324CS..Hα-helixtrans-49.6-46.8-172179.80000112.9L170 T177 L308 F309 H327 V328 V329 F360 L364L170-V325 HydrophobicContact CD1-CG1 4.03Å; L170-V325 HydrophobicContact CD2-CG1 3.54Å; L170-V325 HydrophobicContact CG-CG1 4.32Å; T177-V325 HydrophobicContact CG2-CG2 4.36Å; L308-V325 HydrophobicContact CB-CG2 3.97Å; L308-V325 WeakPolarHBondContact O-CG2 3.4Å; L308-V325 PolarHBondContact O-N 3.43Å; F309-V325 HydrophobicContact CD1-CB 4.32Å; F309-V325 HydrophobicContact CE1-CB 4.16Å; V325-H327 PolarHBondContact O-N 3.14Å; V325-V328 WeakPolarHBondContact O-CB 3.2Å; V325-V328 PolarHBondContact O-N 3.48Å; V325-V329 PolarHBondContact O-N 2.61Å; V325-F360 HydrophobicContact CB-CZ 4.49Å; V325-F360 HydrophobicContact CG1-CE1 4.4Å; V325-F360 HydrophobicContact CG1-CZ 3.81Å; V325-F360 HydrophobicContact CG2-CE2 4.11Å; V325-F360 HydrophobicContact CG2-CZ 3.95Å; V325-L364 HydrophobicContact CG1-CD1 3.71Å; V325-L364 HydrophobicContact CG1-CD2 4.47Å
326S96.3Very high85.6Confident0 Ų047.4 Ų47.40%030%0.3CS..Hα-helixtrans-70.6-30.8-179.8630000113.1G324 T330 E367 K371G324-S326 VanDerWaalsContact C-N 3.31Å; G324-S326 PolarHBondContact O-N 3.3Å; G324-S326 VanDerWaalsContact O-N 3.16Å; S326-T330 WeakPolarHBondContact O-CG2 3.47Å; S326-T330 PolarHBondContact O-N 3.09Å; S326-T330 PolarHBondContact O-OG1 3.11Å; S326-E367 WeakPolarHBondContact CB-OE2 3.39Å; S326-E367 PolarHBondContact OG-OE2 3.32Å; S326-K371 PolarHBondContact OG-NZ 3.24Å
327H96Very high87.1Confident85 Ų8549.2 Ų49.239%0.39429%0.292SS..Hα-helixtrans-72.4-35.4173.8-71.3110.2000111.8L323 G324 V325 V329 T330 T331 K371L323-H327 HydrophobicContact CB-CB 4.04Å; L323-H327 HydrophobicContact CD2-CB 4.13Å; G324-H327 CarbonylContact O-C 3.56Å; G324-H327 WeakPolarHBondContact O-CA 3.38Å; G324-H327 WeakPolarHBondContact O-CB 3.27Å; G324-H327 PolarHBondContact O-N 2.61Å; V325-H327 PolarHBondContact O-N 3.14Å; H327-V329 VanDerWaalsContact C-N 3.32Å; H327-V329 PolarHBondContact O-N 3.41Å; H327-T330 WeakPolarHBondContact CA-OG1 3.49Å; H327-T330 PolarHBondContact O-N 3.28Å; H327-T330 PolarHBondContact O-OG1 3.14Å; H327-T331 WeakPolarHBondContact O-CB 3.3Å; H327-T331 PolarHBondContact O-N 2.95Å; H327-T331 PolarHBondContact O-OG1 3.33Å; H327-K371 PolarHBondContact CE1-NZ 3.01Å; H327-K371 PolarHBondContact ND1-NZ 3.01Å; H327-K371 PolarHBondContact NE2-NZ 3.49Å
328V97.4Very high88.6Confident0 Ų052.4 Ų52.40%031%0.308CS..Hα-helixtrans-58.2-46.4172.4171.30000110.4A179 V193 L323 G324 V325 S332A179-V328 HydrophobicContact CB-CG1 3.55Å; V193-V328 HydrophobicContact CB-CG1 4.21Å; V193-V328 HydrophobicContact CG1-CB 4.35Å; V193-V328 HydrophobicContact CG1-CG1 4Å; V193-V328 HydrophobicContact CG1-CG2 4.41Å; L323-V328 HydrophobicContact CB-CG2 3.66Å; G324-V328 WeakPolarHBondContact O-CG2 3.27Å; G324-V328 PolarHBondContact O-N 2.91Å; V325-V328 WeakPolarHBondContact O-CB 3.2Å; V325-V328 PolarHBondContact O-N 3.48Å; V328-S332 VanDerWaalsContact O-CB 3.3Å; V328-S332 WeakPolarHBondContact O-CB 3.34Å; V328-S332 PolarHBondContact O-N 3.39Å; V328-S332 VanDerWaalsContact O-N 3.08Å
329V98.2Very high90.9Very high0 Ų053.2 Ų53.20%030%0.302CS..Hα-helixtrans-62.2-54.4175.8164.60000112.4L168 L170 A179 V325 H327 T331 S332 V333 L368L168-V329 HydrophobicContact CD2-CB 3.99Å; L168-V329 HydrophobicContact CD2-CG1 3.49Å; L168-V329 VanDerWaalsContact CD2-CG1 3.49Å; L168-V329 HydrophobicContact CD2-CG2 3.98Å; L170-V329 HydrophobicContact CB-CG2 4.29Å; L170-V329 HydrophobicContact CD1-CG2 3.85Å; L170-V329 HydrophobicContact CD2-CG2 4.03Å; L170-V329 HydrophobicContact CG-CG2 4.28Å; A179-V329 HydrophobicContact CB-CG2 4.41Å; V325-V329 PolarHBondContact O-N 2.61Å; H327-V329 VanDerWaalsContact C-N 3.32Å; H327-V329 PolarHBondContact O-N 3.41Å; V329-T331 VanDerWaalsContact C-N 3.34Å; V329-T331 PolarHBondContact O-N 3.4Å; V329-S332 WeakPolarHBondContact O-CB 3.39Å; V329-S332 PolarHBondContact O-N 2.83Å; V329-V333 WeakPolarHBondContact O-CG2 3.38Å; V329-V333 PolarHBondContact O-N 3.42Å; V329-L368 HydrophobicContact CB-CD2 3.85Å; V329-L368 HydrophobicContact CG1-CD1 3.96Å; V329-L368 HydrophobicContact CG1-CD2 3.47Å; V329-L368 VanDerWaalsContact CG1-CD2 3.47Å; V329-L368 HydrophobicContact CG1-CG 4.38Å; V329-L368 HydrophobicContact CG2-CD1 4.47Å
330T97.5Very high93Very high27 Ų2752.7 Ų52.717%0.16629%0.291CS..Hα-helixtrans-67.1-34.9-175.147.80000112.6S326 H327 G334 L368 K371S326-T330 WeakPolarHBondContact O-CG2 3.47Å; S326-T330 PolarHBondContact O-N 3.09Å; S326-T330 PolarHBondContact O-OG1 3.11Å; H327-T330 WeakPolarHBondContact CA-OG1 3.49Å; H327-T330 PolarHBondContact O-N 3.28Å; H327-T330 PolarHBondContact O-OG1 3.14Å; T330-G334 PolarHBondContact O-N 2.94Å; T330-L368 HydrophobicContact CG2-CD2 4.12Å; T330-K371 HydrophobicContact CG2-CB 3.75Å; T330-K371 HydrophobicContact CG2-CD 4.14Å
331T97.8Very high94.9Very high53 Ų5348.4 Ų48.433%0.32526%0.262SS..Hα-helixtrans-64.6-46.7173.2-56.20000110.6V193 L323 H327 V329 V333 G334 M335V193-T331 HydrophobicContact CG1-CG2 4.44Å; V193-T331 HydrophobicContact CG2-CG2 3.93Å; L323-T331 HydrophobicContact CD1-CG2 4.24Å; H327-T331 WeakPolarHBondContact O-CB 3.3Å; H327-T331 PolarHBondContact O-N 2.95Å; H327-T331 PolarHBondContact O-OG1 3.33Å; V329-T331 VanDerWaalsContact C-N 3.34Å; V329-T331 PolarHBondContact O-N 3.4Å; T331-V333 PolarHBondContact O-N 3.48Å; T331-G334 CarbonylContact O-C 3.57Å; T331-G334 WeakPolarHBondContact O-CA 3.22Å; T331-G334 PolarHBondContact O-N 3.44Å; T331-G334 VanDerWaalsContact O-N 3.09Å; T331-M335 HydrophobicContact CG2-SD 4.2Å; T331-M335 VanDerWaalsContact O-CG 3.32Å; T331-M335 WeakPolarHBondContact O-CG 3.39Å; T331-M335 PolarHBondContact O-N 3.08Å
332S98.3Very high96Very high0 Ų045.4 Ų45.40%025%0.245CC..Hα-helixtrans-58.4-46.8178.9175.10000112.3L168 A179 P181 G191 V328 V329 G334 M335 C336L168-S332 VanDerWaalsContact CD1-OG 3.27Å; L168-S332 WeakPolarHBondContact CD1-OG 3.44Å; A179-S332 PolarHBondContact O-OG 3.13Å; P181-S332 WeakPolarHBondContact CD-OG 3.47Å; G191-S332 WeakPolarHBondContact O-CA 3.28Å; G191-S332 VanDerWaalsContact O-CB 3.27Å; G191-S332 WeakPolarHBondContact O-CB 3.24Å; G191-S332 PolarHBondContact O-OG 3.3Å; V328-S332 VanDerWaalsContact O-CB 3.3Å; V328-S332 WeakPolarHBondContact O-CB 3.34Å; V328-S332 PolarHBondContact O-N 3.39Å; V328-S332 VanDerWaalsContact O-N 3.08Å; V329-S332 WeakPolarHBondContact O-CB 3.39Å; V329-S332 PolarHBondContact O-N 2.83Å; S332-G334 VanDerWaalsContact C-N 3.33Å; S332-G334 PolarHBondContact O-N 2.83Å; S332-M335 PolarHBondContact O-N 2.88Å; S332-C336 PolarHBondContact O-SG 3.49Å
333V97.8Very high96.5Very high0 Ų044.2 Ų44.20%025%0.248CC..Hα-helixtrans-66.6-35.9175.5-179.20000111.5L168 V329 T331 M335 C336 R341 L344 Y345L168-V333 HydrophobicContact CD1-CG2 4.27Å; L168-V333 HydrophobicContact CD2-CG2 3.93Å; V329-V333 WeakPolarHBondContact O-CG2 3.38Å; V329-V333 PolarHBondContact O-N 3.42Å; T331-V333 PolarHBondContact O-N 3.48Å; V333-M335 VanDerWaalsContact C-N 3.26Å; V333-M335 PolarHBondContact O-N 3.08Å; V333-C336 WeakPolarHBondContact O-CB 3.32Å; V333-C336 PolarHBondContact O-N 2.92Å; V333-C336 VanDerWaalsContact O-N 3.13Å; V333-R341 HydrophobicContact CG1-CB 3.68Å; V333-R341 HydrophobicContact CG1-CG 3.68Å; V333-R341 PolarHBondContact O-NE 3.49Å; V333-L344 HydrophobicContact CG1-CB 4.47Å; V333-L344 HydrophobicContact CG1-CD1 4.37Å; V333-L344 HydrophobicContact CG2-CB 4.11Å; V333-L344 HydrophobicContact CG2-CD1 4.36Å; V333-Y345 HydrophobicContact CB-CE2 4.13Å; V333-Y345 HydrophobicContact CG1-CD2 3.82Å; V333-Y345 HydrophobicContact CG1-CE2 3.39Å; V333-Y345 HydrophobicContact CG2-CE1 4.42Å; V333-Y345 HydrophobicContact CG2-CE2 4.49Å
334G97.1Very high96.8Very high38 Ų3841.5 Ų41.539%0.39223%0.234SC..Hα-helixtrans-64.8-25.2176.300000114.5T330 T331 S332 C336 R341T330-G334 PolarHBondContact O-N 2.94Å; T331-G334 CarbonylContact O-C 3.57Å; T331-G334 WeakPolarHBondContact O-CA 3.22Å; T331-G334 PolarHBondContact O-N 3.44Å; T331-G334 VanDerWaalsContact O-N 3.09Å; S332-G334 VanDerWaalsContact C-N 3.33Å; S332-G334 PolarHBondContact O-N 2.83Å; G334-C336 VanDerWaalsContact C-N 3.33Å; G334-R341 PolarHBondContact O-NH2 3.11Å
335M97.8Very high97Very high98 Ų9842.1 Ų42.148%0.48324%0.236SC..THydrogen-bonded Turntrans-83.3-8.6174.8-65.9173.285.600113.3Q190 V193 T331 S332 V333Q190-M335 WeakPolarHBondContact O-CE 3.42Å; V193-M335 HydrophobicContact CG2-SD 3.67Å; T331-M335 HydrophobicContact CG2-SD 4.2Å; T331-M335 VanDerWaalsContact O-CG 3.32Å; T331-M335 WeakPolarHBondContact O-CG 3.39Å; T331-M335 PolarHBondContact O-N 3.08Å; S332-M335 PolarHBondContact O-N 2.88Å; V333-M335 VanDerWaalsContact C-N 3.26Å; V333-M335 PolarHBondContact O-N 3.08Å
336C97.6Very high97Very high2 Ų243.1 Ų43.11%0.01425%0.247CC..SBendtrans-92.5157.8178-64.90000111.8S332 V333 G334 I340 R341 L344S332-C336 PolarHBondContact O-SG 3.49Å; V333-C336 WeakPolarHBondContact O-CB 3.32Å; V333-C336 PolarHBondContact O-N 2.92Å; V333-C336 VanDerWaalsContact O-N 3.13Å; G334-C336 VanDerWaalsContact C-N 3.33Å; C336-I340 HydrophobicContact CB-CD1 3.83Å; C336-I340 HydrophobicContact CB-CG1 4.12Å; C336-R341 VanDerWaalsContact O-CZ 3.24Å; C336-R341 PolarHBondContact O-NE 2.72Å; C336-R341 PolarHBondContact O-NH2 2.93Å; C336-L344 HydrophobicContact CB-CD1 3.81Å
337D96.3Very high97Very high112 Ų11243.3 Ų43.360%0.59925%0.249SC*.  trans-62145.1176.4-66.3-36.3000111.8D339 I340 R341D337-D339 PolarHBondContact O-N 3.47Å; D337-D339 VanDerWaalsContact O-N 3.15Å; D337-I340 HydrophobicContact CB-CG1 4.4Å; D337-I340 WeakPolarHBondContact O-CG1 3.2Å; D337-I340 PolarHBondContact O-N 3.06Å; D337-R341 WeakPolarHBondContact O-CG 3.5Å; D337-R341 PolarHBondContact O-N 3.32Å
338I95.3Very high97.1Very high116 Ų11639.3 Ų39.360%0.59523%0.23SC*.THydrogen-bonded Turntrans-57.9-33.3-171.9-167.5165.7000113.3I340 R341 P342I338-I340 VanDerWaalsContact C-N 3.33Å; I338-I340 PolarHBondContact O-N 3.13Å; I338-R341 PolarHBondContact O-N 3.47Å; I338-P342 WeakPolarHBondContact O-CD 3.21Å
339D95.8Very high97.1Very high145 Ų14539.3 Ų39.378%0.77523%0.23SC*.THydrogen-bonded Turntrans-69.7-28.1-175.2-63.6-28.2000113.2D337D337-D339 PolarHBondContact O-N 3.47Å; D337-D339 VanDerWaalsContact O-N 3.15Å
340I96.1Very high97.1Very high26 Ų2639.5 Ų39.513%0.13323%0.231CC..THydrogen-bonded Turntrans-94.4-17.7-17961.5164000113.1L188 C336 D337 I338 P342 G343 L344L188-I340 HydrophobicContact CD1-CD1 3.17Å; C336-I340 HydrophobicContact CB-CD1 3.83Å; C336-I340 HydrophobicContact CB-CG1 4.12Å; D337-I340 HydrophobicContact CB-CG1 4.4Å; D337-I340 WeakPolarHBondContact O-CG1 3.2Å; D337-I340 PolarHBondContact O-N 3.06Å; I338-I340 VanDerWaalsContact C-N 3.33Å; I338-I340 PolarHBondContact O-N 3.13Å; I340-P342 VanDerWaalsContact C-CD 3.44Å; I340-G343 WeakPolarHBondContact O-CA 3.4Å; I340-G343 PolarHBondContact O-N 2.71Å; I340-L344 HydrophobicContact CD1-CD1 4.33Å; I340-L344 HydrophobicContact CG1-CD1 4.48Å; I340-L344 PolarHBondContact O-N 3.15Å
341R97.1Very high97Very high72 Ų7238.3 Ų38.327%0.27222%0.224SC..Hα-helixtrans-54.9-40.6-179.2-58.1-176.3-171.4-172.2-3.3113.9V333 G334 C336 D337 I338 G343 L344 Y345 M376V333-R341 HydrophobicContact CG1-CB 3.68Å; V333-R341 HydrophobicContact CG1-CG 3.68Å; V333-R341 PolarHBondContact O-NE 3.49Å; G334-R341 PolarHBondContact O-NH2 3.11Å; C336-R341 VanDerWaalsContact O-CZ 3.24Å; C336-R341 PolarHBondContact O-NE 2.72Å; C336-R341 PolarHBondContact O-NH2 2.93Å; D337-R341 WeakPolarHBondContact O-CG 3.5Å; D337-R341 PolarHBondContact O-N 3.32Å; I338-R341 PolarHBondContact O-N 3.47Å; R341-G343 VanDerWaalsContact C-N 3.27Å; R341-G343 PolarHBondContact O-N 3.46Å; R341-L344 PolarHBondContact O-N 3.45Å; R341-Y345 WeakPolarHBondContact O-CD2 3.48Å; R341-Y345 PolarHBondContact O-N 3.14Å; R341-M376 HydrophobicContact CB-CE 3.69Å; R341-M376 HydrophobicContact CB-SD 3.96Å
342P96.2Very high96.9Very high61 Ų6136.1 Ų36.140%0.39621%0.212SC..Hα-helixtrans-59.3-38.2174.9-2434.4000112.7I338 I340 G346 M376I338-P342 WeakPolarHBondContact O-CD 3.21Å; I340-P342 VanDerWaalsContact C-CD 3.44Å; P342-G346 PolarHBondContact O-N 2.89Å; P342-M376 HydrophobicContact CB-CG 4.48Å; P342-M376 HydrophobicContact CG-CE 4.18Å; P342-M376 HydrophobicContact CG-CG 4.27Å
343G95.6Very high96.7Very high34 Ų3437.9 Ų37.935%0.35123%0.23SC..Hα-helixtrans-67.4-40175.800000112.6I340 R341 G346 S347I340-G343 WeakPolarHBondContact O-CA 3.4Å; I340-G343 PolarHBondContact O-N 2.71Å; R341-G343 VanDerWaalsContact C-N 3.27Å; R341-G343 PolarHBondContact O-N 3.46Å; G343-G346 PolarHBondContact O-N 3.34Å; G343-S347 PolarHBondContact O-N 3.14Å
344L97.6Very high96.6Very high0 Ų038.7 Ų38.70%024%0.235CC..Hα-helixtrans-65.3-49176.9-62.5178.8000112G167 L168 P181 V333 C336 I340 R341 G346 S347 V348G167-L344 WeakPolarHBondContact O-CD2 3.44Å; L168-L344 HydrophobicContact CB-CB 4.42Å; P181-L344 HydrophobicContact CB-CD1 3.92Å; P181-L344 HydrophobicContact CB-CD2 3.87Å; V333-L344 HydrophobicContact CG1-CB 4.47Å; V333-L344 HydrophobicContact CG1-CD1 4.37Å; V333-L344 HydrophobicContact CG2-CB 4.11Å; V333-L344 HydrophobicContact CG2-CD1 4.36Å; C336-L344 HydrophobicContact CB-CD1 3.81Å; I340-L344 HydrophobicContact CD1-CD1 4.33Å; I340-L344 HydrophobicContact CG1-CD1 4.48Å; I340-L344 PolarHBondContact O-N 3.15Å; R341-L344 PolarHBondContact O-N 3.45Å; L344-G346 VanDerWaalsContact C-N 3.29Å; L344-G346 PolarHBondContact O-N 2.99Å; L344-S347 CarbonylContact O-C 3.57Å; L344-S347 VanDerWaalsContact O-C 3.3Å; L344-S347 PolarHBondContact O-N 2.82Å; L344-V348 WeakPolarHBondContact O-CG2 3.47Å
345Y97.5Very high96.5Very high13 Ų1337 Ų375%0.05122%0.216CC..Hα-helixtrans-65.3-33.1174.8-80.2-62.8000112.6V333 R341 S347 T372 M376 R377 L378 K379V333-Y345 HydrophobicContact CB-CE2 4.13Å; V333-Y345 HydrophobicContact CG1-CD2 3.82Å; V333-Y345 HydrophobicContact CG1-CE2 3.39Å; V333-Y345 HydrophobicContact CG2-CE1 4.42Å; V333-Y345 HydrophobicContact CG2-CE2 4.49Å; R341-Y345 WeakPolarHBondContact O-CD2 3.48Å; R341-Y345 PolarHBondContact O-N 3.14Å; Y345-S347 PolarHBondContact O-N 3.4Å; Y345-T372 HydrophobicContact CD1-CG2 3.84Å; Y345-T372 WeakPolarHBondContact CD1-OG1 3.18Å; Y345-T372 HydrophobicContact CD2-CG2 4.12Å; Y345-T372 HydrophobicContact CE1-CG2 4.13Å; Y345-T372 WeakPolarHBondContact CE1-OG1 3.28Å; Y345-T372 HydrophobicContact CE2-CG2 4.37Å; Y345-T372 HydrophobicContact CG-CG2 3.84Å; Y345-M376 HydrophobicContact CD2-CB 4.35Å; Y345-M376 HydrophobicContact CD2-SD 3.48Å; Y345-M376 WeakPolarHBondContact CD2-SD 3.46Å; Y345-M376 HydrophobicContact CE2-SD 3.78Å; Y345-R377 CarbonylContact C-O 3.49Å; Y345-L378 HydrophobicContact CD1-CD1 4.09Å; Y345-L378 CarbonylContact O-C 3.54Å; Y345-L378 WeakPolarHBondContact O-CA 3.33Å; Y345-K379 PolarHBondContact O-N 2.8Å
346G96.6Very high96.4Very high24 Ų2435 Ų3525%0.24721%0.208CC..THydrogen-bonded Turntrans-69.8-4.2176.100000114.6P342 G343 L344 R377 K379P342-G346 PolarHBondContact O-N 2.89Å; G343-G346 PolarHBondContact O-N 3.34Å; L344-G346 VanDerWaalsContact C-N 3.29Å; L344-G346 PolarHBondContact O-N 2.99Å; G346-R377 WeakPolarHBondContact CA-O 3.13Å; G346-R377 PolarHBondContact N-O 2.92Å; G346-K379 WeakPolarHBondContact O-CB 3.28Å
347S96.9Very high96.3Very high4 Ų435.8 Ų35.83%0.02821%0.212CC..THydrogen-bonded Turntrans-155.868.6178.3-171.60000111.4G167 L168 G343 L344 Y345 I349 I381G167-S347 CarbonylContact C-O 3.53Å; G167-S347 VanDerWaalsContact CA-O 3.24Å; G167-S347 WeakPolarHBondContact CA-O 3.39Å; L168-S347 PolarHBondContact N-O 2.92Å; G343-S347 PolarHBondContact O-N 3.14Å; L344-S347 CarbonylContact O-C 3.57Å; L344-S347 VanDerWaalsContact O-C 3.3Å; L344-S347 PolarHBondContact O-N 2.82Å; Y345-S347 PolarHBondContact O-N 3.4Å; S347-I349 PolarHBondContact O-N 2.97Å; S347-I381 WeakPolarHBondContact OG-CD1 3.17Å
348V98.2Very high96.3Very high0 Ų035.8 Ų35.80%021%0.208CC..EExtended strand (participates in β ladder)trans-86.7103.2171.7-1770000108.8L168 L344 L368 L378 K379 L380 I381L168-V348 HydrophobicContact CB-CG2 4.38Å; L168-V348 HydrophobicContact CD2-CG1 4.36Å; L168-V348 HydrophobicContact CD2-CG2 4.45Å; L168-V348 CarbonylContact O-C 3.43Å; L168-V348 WeakPolarHBondContact O-CA 3.41Å; L344-V348 WeakPolarHBondContact O-CG2 3.47Å; V348-L368 HydrophobicContact CG1-CD1 4.33Å; V348-L378 HydrophobicContact CG2-CD1 3.96Å; V348-K379 PolarHBondContact N-O 3.37Å; V348-L380 HydrophobicContact CB-CD1 3.97Å; V348-L380 HydrophobicContact CG1-CD1 3.74Å; V348-L380 CarbonylContact O-C 3.3Å; V348-L380 WeakPolarHBondContact O-CA 3.39Å; V348-I381 PolarHBondContact O-N 3.45Å
349I97.8Very high96.3Very high1 Ų131.2 Ų31.21%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-91.8128.1-177.7-61.4163.6000109.2T158 N162 R164 L168 I169 L170 S347 I381T158-I349 HydrophobicContact CG2-CG2 3.9Å; N162-I349 HydrophobicContact CB-CD1 3.81Å; N162-I349 HydrophobicContact CB-CG1 4.38Å; N162-I349 WeakPolarHBondContact ND2-CG2 3.4Å; R164-I349 HydrophobicContact CB-CD1 4.16Å; R164-I349 HydrophobicContact CG-CD1 4.12Å; L168-I349 PolarHBondContact O-N 2.85Å; I169-I349 HydrophobicContact CD1-CB 3.76Å; I169-I349 HydrophobicContact CD1-CD1 3.61Å; I169-I349 HydrophobicContact CD1-CG1 4.19Å; I169-I349 HydrophobicContact CD1-CG2 4.3Å; L170-I349 PolarHBondContact N-O 2.55Å; S347-I349 PolarHBondContact O-N 2.97Å; I349-I381 CarbonylContact C-O 3.51Å; I349-I381 WeakPolarHBondContact CA-O 3.49Å; I349-I381 HydrophobicContact CG1-CB 4.11Å; I349-I381 HydrophobicContact CG1-CD1 4.15Å; I349-I381 HydrophobicContact CG1-CG2 4.42Å
350V97.6Very high96.4Very high3 Ų324.4 Ų24.42%0.01815%0.15CC..EExtended strand (participates in β ladder)trans-103.9123.7-177.8-1760000110.1L170 T355 F360 T361 L364 L380 I381 A382L170-V350 HydrophobicContact CD2-CG2 4.48Å; L170-V350 WeakPolarHBondContact O-CA 3.4Å; V350-T355 HydrophobicContact CG1-CG2 3.47Å; V350-T355 VanDerWaalsContact CG1-CG2 3.47Å; V350-F360 HydrophobicContact CG1-CE1 4.29Å; V350-T361 HydrophobicContact CG1-CG2 4.3Å; V350-L364 HydrophobicContact CG2-CD2 3.88Å; V350-L380 HydrophobicContact CG2-CD1 3.43Å; V350-L380 VanDerWaalsContact CG2-CD1 3.43Å; V350-L380 HydrophobicContact CG2-CD2 4.21Å; V350-L380 HydrophobicContact CG2-CG 3.8Å; V350-I381 PolarHBondContact N-O 2.95Å; V350-A382 HydrophobicContact CB-CB 4.19Å
351A96.4Very high96.4Very high3 Ų324.4 Ų24.43%0.02515%0.151CC..EExtended strand (participates in β ladder)trans-138.1168.817900000111.7T158 L170 D171 S172 T355T158-A351 HydrophobicContact CG2-CB 3.95Å; L170-A351 PolarHBondContact O-N 2.59Å; D171-A351 VanDerWaalsContact CA-O 3.31Å; D171-A351 WeakPolarHBondContact CA-O 3.41Å; S172-A351 PolarHBondContact N-O 3.5Å; A351-T355 WeakPolarHBondContact O-CG2 3.29Å
352G95Very high96.4Very high7 Ų725.5 Ų25.57%0.07216%0.162CC..SBendtrans98155.9175.400000114.2D171 S172 N354 T355 R389D171-G352 WeakPolarHBondContact OD1-CA 3.44Å; S172-G352 CarbonylContact O-C 3.59Å; S172-G352 VanDerWaalsContact O-C 3.26Å; S172-G352 WeakPolarHBondContact O-CA 3.49Å; G352-N354 PolarHBondContact O-N 3.29Å; G352-T355 WeakPolarHBondContact O-CB 3.42Å; G352-T355 PolarHBondContact O-N 2.84Å; G352-T355 PolarHBondContact O-OG1 3.35Å; G352-R389 PolarHBondContact N-O 2.78Å
353G93.8Very high96.4Very high37 Ų3722.7 Ų22.738%0.38114%0.144SC..G310 helixtrans-61.9-38.8-168.700000114.9S172 T355 L356S172-G353 PolarHBondContact O-N 3.32Å; S172-G353 VanDerWaalsContact O-N 3.17Å; G353-T355 PolarHBondContact O-N 3.43Å; G353-L356 VanDerWaalsContact O-CB 3.27Å; G353-L356 WeakPolarHBondContact O-CB 3.44Å; G353-L356 WeakPolarHBondContact O-CG 3.28Å; G353-L356 PolarHBondContact O-N 3.18Å; G353-L356 VanDerWaalsContact O-N 3.16Å
354N95.5Very high96.5Very high17 Ų1721 Ų219%0.09113%0.127CC..G310 helixtrans-72-15.6-178-53-37.7000112.6S172 G173 G199 I202 G352 L356 I357S172-N354 PolarHBondContact O-N 2.82Å; S172-N354 PolarHBondContact O-ND2 3.5Å; S172-N354 WeakPolarHBondContact OG-CB 3.35Å; S172-N354 PolarHBondContact OG-ND2 2.85Å; S172-N354 VanDerWaalsContact OG-ND2 3.11Å; G173-N354 PolarHBondContact O-ND2 3.49Å; G199-N354 WeakPolarHBondContact CA-OD1 3.45Å; G199-N354 PolarHBondContact N-ND2 2.89Å; I202-N354 HydrophobicContact CD1-CB 4.35Å; G352-N354 PolarHBondContact O-N 3.29Å; N354-L356 PolarHBondContact O-N 2.99Å; N354-I357 HydrophobicContact CB-CD1 4.15Å; N354-I357 WeakPolarHBondContact O-CB 3.41Å; N354-I357 WeakPolarHBondContact O-CD1 3.22Å; N354-I357 VanDerWaalsContact O-CG1 3.25Å; N354-I357 WeakPolarHBondContact O-CG1 3.16Å; N354-I357 PolarHBondContact O-N 2.92Å; N354-I357 VanDerWaalsContact O-N 3.15Å
355T96.3Very high96.5Very high1 Ų124.2 Ų24.21%0.00614%0.144CC..G310 helixtrans-72.8-7.4176.373.70000112.5V350 A351 G352 G353 F360V350-T355 HydrophobicContact CG1-CG2 3.47Å; V350-T355 VanDerWaalsContact CG1-CG2 3.47Å; A351-T355 WeakPolarHBondContact O-CG2 3.29Å; G352-T355 WeakPolarHBondContact O-CB 3.42Å; G352-T355 PolarHBondContact O-N 2.84Å; G352-T355 PolarHBondContact O-OG1 3.35Å; G353-T355 PolarHBondContact O-N 3.43Å; T355-F360 HydrophobicContact CG2-CD1 4.13Å; T355-F360 HydrophobicContact CG2-CE1 3.68Å; T355-F360 HydrophobicContact CG2-CZ 4.08Å
356L95.6Very high96.4Very high57 Ų5727.2 Ų27.230%0.29816%0.155SC..G310 helixtrans-85.1-9.5172.5-58.9168.4000112.9G353 N354 Q358 T386 R389G353-L356 VanDerWaalsContact O-CB 3.27Å; G353-L356 WeakPolarHBondContact O-CB 3.44Å; G353-L356 WeakPolarHBondContact O-CG 3.28Å; G353-L356 PolarHBondContact O-N 3.18Å; G353-L356 VanDerWaalsContact O-N 3.16Å; N354-L356 PolarHBondContact O-N 2.99Å; L356-Q358 PolarHBondContact O-N 3.25Å; L356-T386 HydrophobicContact CD1-CG2 3.72Å; L356-T386 HydrophobicContact CD2-CG2 4.06Å; L356-R389 HydrophobicContact CD2-CB 4.15Å
357I96.1Very high96.4Very high19 Ų1926.9 Ų26.910%0.09715%0.147CC..SBendtrans-59135.1171.9-61.9168.9000107.9I202 L267 V269 P305 L308 N354 S359 F360I202-I357 HydrophobicContact CD1-CD1 3.68Å; L267-I357 HydrophobicContact CB-CG2 4.22Å; V269-I357 HydrophobicContact CG2-CB 4.44Å; V269-I357 HydrophobicContact CG2-CG2 3.86Å; P305-I357 HydrophobicContact CB-CD1 4.47Å; P305-I357 HydrophobicContact CB-CG2 4.36Å; L308-I357 HydrophobicContact CD1-CD1 4.34Å; N354-I357 HydrophobicContact CB-CD1 4.15Å; N354-I357 WeakPolarHBondContact O-CB 3.41Å; N354-I357 WeakPolarHBondContact O-CD1 3.22Å; N354-I357 VanDerWaalsContact O-CG1 3.25Å; N354-I357 WeakPolarHBondContact O-CG1 3.16Å; N354-I357 PolarHBondContact O-N 2.92Å; N354-I357 VanDerWaalsContact O-N 3.15Å; I357-S359 PolarHBondContact O-N 3.42Å; I357-F360 WeakPolarHBondContact O-CB 3.42Å; I357-F360 PolarHBondContact O-N 3.38Å; I357-F360 VanDerWaalsContact O-N 3.1Å
358Q95.7Very high96.5Very high111 Ų11126.7 Ų26.752%0.51915%0.146SC..BIsolated β-bridgetrans-53.7138.3-176.8-174.6179.97.700111.1Q268 V269 L356 F360Q268-Q358 HydrophobicContact CB-CB 4.18Å; Q268-Q358 HydrophobicContact CG-CB 4.03Å; Q268-Q358 HydrophobicContact CG-CG 4.03Å; V269-Q358 PolarHBondContact N-O 2.88Å; L356-Q358 PolarHBondContact O-N 3.25Å; Q358-F360 PolarHBondContact O-N 3.05Å; Q358-F360 VanDerWaalsContact O-N 3.13Å
359S95.7Very high96.4Very high21 Ų2129.8 Ų29.815%0.14717%0.167CC..THydrogen-bonded Turntrans635.8-178.5-61.30000116.3V269 D271 I357 T361 D362 R363V269-S359 VanDerWaalsContact O-CB 3.28Å; V269-S359 WeakPolarHBondContact O-CB 3.39Å; D271-S359 WeakPolarHBondContact OD1-CB 3.22Å; D271-S359 PolarHBondContact OD1-OG 2.76Å; I357-S359 PolarHBondContact O-N 3.42Å; S359-T361 PolarHBondContact O-N 3.45Å; S359-D362 PolarHBondContact O-N 3.37Å; S359-R363 WeakPolarHBondContact O-CB 3.31Å; S359-R363 PolarHBondContact O-N 2.87Å
360F97.2Very high96.2Very high1 Ų136.5 Ų36.50%0.00420%0.199CC..Hα-helixtrans-56.3-48.2179.3-178.1-81.1000112.4V269 L308 F309 V325 V350 T355 I357 Q358 L364V269-F360 HydrophobicContact CG2-CB 4.07Å; V269-F360 HydrophobicContact CG2-CD2 4.11Å; L308-F360 HydrophobicContact CD1-CD2 4.45Å; L308-F360 HydrophobicContact CD1-CE2 4.07Å; F309-F360 AromaticContact CE2-CD2 3.85Å; F309-F360 HydrophobicContact CE2-CD2 3.85Å; F309-F360 AromaticContact CE2-CE2 3.93Å; F309-F360 HydrophobicContact CE2-CE2 3.93Å; F309-F360 AromaticContact CZ-CD2 3.88Å; F309-F360 HydrophobicContact CZ-CD2 3.88Å; F309-F360 AromaticContact CZ-CE2 3.87Å; F309-F360 HydrophobicContact CZ-CE2 3.87Å; F309-F360 HydrophobicContact CZ-CG 4.24Å; F309-F360 HydrophobicContact CZ-CZ 4.23Å; V325-F360 HydrophobicContact CB-CZ 4.49Å; V325-F360 HydrophobicContact CG1-CE1 4.4Å; V325-F360 HydrophobicContact CG1-CZ 3.81Å; V325-F360 HydrophobicContact CG2-CE2 4.11Å; V325-F360 HydrophobicContact CG2-CZ 3.95Å; V350-F360 HydrophobicContact CG1-CE1 4.29Å; T355-F360 HydrophobicContact CG2-CD1 4.13Å; T355-F360 HydrophobicContact CG2-CE1 3.68Å; T355-F360 HydrophobicContact CG2-CZ 4.08Å; I357-F360 WeakPolarHBondContact O-CB 3.42Å; I357-F360 PolarHBondContact O-N 3.38Å; I357-F360 VanDerWaalsContact O-N 3.1Å; Q358-F360 PolarHBondContact O-N 3.05Å; Q358-F360 VanDerWaalsContact O-N 3.13Å; F360-L364 HydrophobicContact CE1-CD2 4.14Å; F360-L364 VanDerWaalsContact O-CB 3.27Å; F360-L364 WeakPolarHBondContact O-CB 3.05Å; F360-L364 PolarHBondContact O-N 3.3Å
361T96Very high96.1Very high27 Ų2739.7 Ų39.717%0.16621%0.213CC..Hα-helixtrans-68.8-35.1-178.646.50000112.4V350 S359 N365 L380 A382V350-T361 HydrophobicContact CG1-CG2 4.3Å; S359-T361 PolarHBondContact O-N 3.45Å; T361-N365 VanDerWaalsContact O-CB 3.24Å; T361-N365 WeakPolarHBondContact O-CB 3.46Å; T361-N365 PolarHBondContact O-N 2.86Å; T361-L380 WeakPolarHBondContact O-CD2 3.36Å; T361-A382 HydrophobicContact CG2-CB 3.62Å
362D96.3Very high96.1Very high95 Ų9540.2 Ų40.251%0.50822%0.215SC..Hα-helixtrans-69.4-47.1179.6-60.3-60000111.3S359 L364 N365 R366S359-D362 PolarHBondContact O-N 3.37Å; D362-L364 VanDerWaalsContact C-N 3.35Å; D362-L364 PolarHBondContact O-N 2.81Å; D362-N365 PolarHBondContact O-N 2.8Å; D362-R366 PolarHBondContact O-N 2.47Å
363R97.1Very high96.1Very high1 Ų142.2 Ų42.20%0.00423%0.227CC..Hα-helixtrans-56.6-49.4172.6171.959.4176.7-79.5-4.6111.1V269 S270 D271 S272 E306 F309 S359 N365 R366 E367V269-R363 HydrophobicContact CG1-CB 3.42Å; V269-R363 VanDerWaalsContact CG1-CB 3.42Å; V269-R363 HydrophobicContact CG1-CG 3.51Å; S270-R363 WeakPolarHBondContact O-CD 3.36Å; S270-R363 PolarHBondContact O-NH1 3.48Å; D271-R363 WeakPolarHBondContact O-CD 3.27Å; S272-R363 PolarHBondContact O-NH1 3.03Å; E306-R363 IonicContact OE1-CZ 2.93Å; E306-R363 IonicContact OE1-NH1 3.09Å; E306-R363 PolarHBondContact OE1-NH1 2.78Å; E306-R363 IonicContact OE1-NH2 3.03Å; E306-R363 PolarHBondContact OE1-NH2 2.8Å; E306-R363 IonicContact OE2-CZ 3.68Å; E306-R363 IonicContact OE2-NH1 3.81Å; E306-R363 PolarHBondContact OE2-NH1 3.27Å; E306-R363 IonicContact OE2-NH2 3.86Å; E306-R363 PolarHBondContact OE2-NH2 3.03Å; F309-R363 HydrophobicContact CD1-CG 3.61Å; F309-R363 HydrophobicContact CD2-CG 4.1Å; F309-R363 HydrophobicContact CE1-CB 4.21Å; F309-R363 HydrophobicContact CE1-CG 3.47Å; F309-R363 VanDerWaalsContact CE1-CG 3.47Å; F309-R363 HydrophobicContact CE2-CG 3.99Å; F309-R363 HydrophobicContact CG-CG 3.92Å; F309-R363 HydrophobicContact CZ-CB 4.1Å; F309-R363 HydrophobicContact CZ-CG 3.67Å; S359-R363 WeakPolarHBondContact O-CB 3.31Å; S359-R363 PolarHBondContact O-N 2.87Å; R363-N365 PolarHBondContact O-N 3.19Å; R363-R366 PolarHBondContact O-N 3.29Å; R363-E367 IonicContact CZ-OE1 3.79Å; R363-E367 IonicContact NE-OE1 2.69Å; R363-E367 PolarHBondContact NE-OE1 2.89Å; R363-E367 IonicContact NH2-OE1 2.81Å; R363-E367 PolarHBondContact NH2-OE1 2.77Å; R363-E367 PolarHBondContact O-N 2.91Å
364L97.6Very high96Very high0 Ų047.2 Ų47.20%025%0.253CS..Hα-helixtrans-60.3-46.3178.8179.463.7000111.9L170 F309 V325 V350 F360 D362 R366 E367 L368 L380L170-L364 HydrophobicContact CD2-CD1 4.18Å; L170-L364 HydrophobicContact CD2-CD2 3.26Å; L170-L364 HydrophobicContact CD2-CG 4.35Å; F309-L364 HydrophobicContact CE1-CB 4.06Å; F309-L364 HydrophobicContact CE1-CD1 4.36Å; F309-L364 HydrophobicContact CZ-CB 4.4Å; V325-L364 HydrophobicContact CG1-CD1 3.71Å; V325-L364 HydrophobicContact CG1-CD2 4.47Å; V350-L364 HydrophobicContact CG2-CD2 3.88Å; F360-L364 HydrophobicContact CE1-CD2 4.14Å; F360-L364 VanDerWaalsContact O-CB 3.27Å; F360-L364 WeakPolarHBondContact O-CB 3.05Å; F360-L364 PolarHBondContact O-N 3.3Å; D362-L364 VanDerWaalsContact C-N 3.35Å; D362-L364 PolarHBondContact O-N 2.81Å; L364-R366 VanDerWaalsContact C-N 3.31Å; L364-R366 PolarHBondContact O-N 2.89Å; L364-E367 PolarHBondContact O-N 2.95Å; L364-L368 HydrophobicContact CD1-CD1 3.72Å; L364-L368 HydrophobicContact CD1-CG 3.86Å; L364-L368 HydrophobicContact CD2-CD1 4.48Å; L364-L368 HydrophobicContact CG-CD1 3.84Å; L364-L368 HydrophobicContact CG-CG 4.29Å; L364-L368 WeakPolarHBondContact O-CB 3.46Å; L364-L368 WeakPolarHBondContact O-CG 3.32Å; L364-L368 PolarHBondContact O-N 3.09Å; L364-L380 HydrophobicContact CD2-CD1 3.89Å; L364-L380 HydrophobicContact CD2-CD2 4.24Å; L364-L380 HydrophobicContact CG-CD1 4.32Å; L364-L380 HydrophobicContact CG-CD2 4.41Å
365N97Very high95.9Very high66 Ų6651.6 Ų51.635%0.35329%0.285SS..Hα-helixtrans-59.8-42.8179.9-173.156.5000111.4T361 D362 R363 S369 L380T361-N365 VanDerWaalsContact O-CB 3.24Å; T361-N365 WeakPolarHBondContact O-CB 3.46Å; T361-N365 PolarHBondContact O-N 2.86Å; D362-N365 PolarHBondContact O-N 2.8Å; R363-N365 PolarHBondContact O-N 3.19Å; N365-S369 VanDerWaalsContact O-CB 3.28Å; N365-S369 WeakPolarHBondContact O-CB 3.3Å; N365-S369 PolarHBondContact O-N 3.06Å; N365-S369 PolarHBondContact O-OG 2.85Å; N365-L380 HydrophobicContact CB-CD2 3.79Å
366R96.6Very high95.8Very high77 Ų7753.1 Ų53.129%0.29129%0.292SS..Hα-helixtrans-67.5-46.9178.1-169-178.464.5-90.7-36.5112.3D271 S272 D362 R363 L364 L368 S369 Q370D271-R366 PolarHBondContact O-NH1 3.37Å; D271-R366 PolarHBondContact O-NH2 3.32Å; S272-R366 VanDerWaalsContact CA-NH2 3.26Å; D362-R366 PolarHBondContact O-N 2.47Å; R363-R366 PolarHBondContact O-N 3.29Å; L364-R366 VanDerWaalsContact C-N 3.31Å; L364-R366 PolarHBondContact O-N 2.89Å; R366-L368 VanDerWaalsContact C-N 3.34Å; R366-L368 PolarHBondContact O-N 3.42Å; R366-S369 PolarHBondContact O-N 2.94Å; R366-Q370 WeakPolarHBondContact O-CG 3.11Å; R366-Q370 PolarHBondContact O-N 3.35Å; R366-Q370 VanDerWaalsContact O-N 3.13Å
367E97Very high95.8Very high16 Ų1660.2 Ų60.28%0.07532%0.315CS..Hα-helixtrans-62.2-42.5178.9-74.7-162.9-179.100112.1S326 R363 L364 S369 Q370 K371S326-E367 WeakPolarHBondContact CB-OE2 3.39Å; S326-E367 PolarHBondContact OG-OE2 3.32Å; R363-E367 IonicContact CZ-OE1 3.79Å; R363-E367 IonicContact NE-OE1 2.69Å; R363-E367 PolarHBondContact NE-OE1 2.89Å; R363-E367 IonicContact NH2-OE1 2.81Å; R363-E367 PolarHBondContact NH2-OE1 2.77Å; R363-E367 PolarHBondContact O-N 2.91Å; L364-E367 PolarHBondContact O-N 2.95Å; E367-S369 VanDerWaalsContact C-N 3.34Å; E367-Q370 PolarHBondContact O-N 2.83Å; E367-K371 WeakPolarHBondContact O-CG 3.22Å; E367-K371 PolarHBondContact O-N 3.34Å
368L97.3Very high95.9Very high0 Ų060.8 Ų60.80%032%0.318CS..Hα-helixtrans-67.2-36.4176.2-69.3-179000111.6V329 T330 V348 L364 R366 Q370 K371 T372 L378 L380V329-L368 HydrophobicContact CB-CD2 3.85Å; V329-L368 HydrophobicContact CG1-CD1 3.96Å; V329-L368 HydrophobicContact CG1-CD2 3.47Å; V329-L368 VanDerWaalsContact CG1-CD2 3.47Å; V329-L368 HydrophobicContact CG1-CG 4.38Å; V329-L368 HydrophobicContact CG2-CD1 4.47Å; T330-L368 HydrophobicContact CG2-CD2 4.12Å; V348-L368 HydrophobicContact CG1-CD1 4.33Å; L364-L368 HydrophobicContact CD1-CD1 3.72Å; L364-L368 HydrophobicContact CD1-CG 3.86Å; L364-L368 HydrophobicContact CD2-CD1 4.48Å; L364-L368 HydrophobicContact CG-CD1 3.84Å; L364-L368 HydrophobicContact CG-CG 4.29Å; L364-L368 WeakPolarHBondContact O-CB 3.46Å; L364-L368 WeakPolarHBondContact O-CG 3.32Å; L364-L368 PolarHBondContact O-N 3.09Å; R366-L368 VanDerWaalsContact C-N 3.34Å; R366-L368 PolarHBondContact O-N 3.42Å; L368-Q370 PolarHBondContact O-N 3.3Å; L368-K371 PolarHBondContact O-N 2.95Å; L368-T372 VanDerWaalsContact O-CB 3.26Å; L368-T372 WeakPolarHBondContact O-CB 3.34Å; L368-T372 PolarHBondContact O-N 3.43Å; L368-T372 PolarHBondContact O-OG1 3.24Å; L368-L378 HydrophobicContact CB-CD1 4.06Å; L368-L378 HydrophobicContact CB-CD2 3.47Å; L368-L378 VanDerWaalsContact CB-CD2 3.47Å; L368-L378 HydrophobicContact CB-CG 4.44Å; L368-L378 HydrophobicContact CD1-CD1 4.3Å; L368-L380 HydrophobicContact CD1-CD1 4.24Å
369S96.1Very high96Very high65 Ų6559.9 Ų59.946%0.45531%0.313SS..Hα-helixtrans-61.9-33.2176.5-640000112N365 R366 E367N365-S369 VanDerWaalsContact O-CB 3.28Å; N365-S369 WeakPolarHBondContact O-CB 3.3Å; N365-S369 PolarHBondContact O-N 3.06Å; N365-S369 PolarHBondContact O-OG 2.85Å; R366-S369 PolarHBondContact O-N 2.94Å; E367-S369 VanDerWaalsContact C-N 3.34Å
370Q95.4Very high96Very high142 Ų14260.5 Ų60.566%0.66431%0.314SS*.Hα-helixtrans-77.4-33.3176-68171.5-8.400112.9R366 E367 L368R366-Q370 WeakPolarHBondContact O-CG 3.11Å; R366-Q370 PolarHBondContact O-N 3.35Å; R366-Q370 VanDerWaalsContact O-N 3.13Å; E367-Q370 PolarHBondContact O-N 2.83Å; L368-Q370 PolarHBondContact O-N 3.3Å
371K95.3Very high96Very high71 Ų7161.7 Ų61.731%0.30932%0.32SS..Hα-helixtrans-89.5-19.6-177.4-66.8178.9-174.3-175.80114S326 H327 T330 E367 L368S326-K371 PolarHBondContact OG-NZ 3.24Å; H327-K371 PolarHBondContact CE1-NZ 3.01Å; H327-K371 PolarHBondContact ND1-NZ 3.01Å; H327-K371 PolarHBondContact NE2-NZ 3.49Å; T330-K371 HydrophobicContact CG2-CB 3.75Å; T330-K371 HydrophobicContact CG2-CD 4.14Å; E367-K371 WeakPolarHBondContact O-CG 3.22Å; E367-K371 PolarHBondContact O-N 3.34Å; L368-K371 PolarHBondContact O-N 2.95Å
372T95.7Very high95.8Very high13 Ų1361.9 Ų61.98%0.0832%0.324CS..SBendtrans-73.2130.4179.6-59.20000109.5Y345 L368 M376 L378Y345-T372 HydrophobicContact CD1-CG2 3.84Å; Y345-T372 WeakPolarHBondContact CD1-OG1 3.18Å; Y345-T372 HydrophobicContact CD2-CG2 4.12Å; Y345-T372 HydrophobicContact CE1-CG2 4.13Å; Y345-T372 WeakPolarHBondContact CE1-OG1 3.28Å; Y345-T372 HydrophobicContact CE2-CG2 4.37Å; Y345-T372 HydrophobicContact CG-CG2 3.84Å; L368-T372 VanDerWaalsContact O-CB 3.26Å; L368-T372 WeakPolarHBondContact O-CB 3.34Å; L368-T372 PolarHBondContact O-N 3.43Å; L368-T372 PolarHBondContact O-OG1 3.24Å; T372-M376 HydrophobicContact CG2-CB 3.95Å; T372-L378 HydrophobicContact CG2-CB 4.29Å
373P94.8Very high95.5Very high50 Ų5059 Ų5933%0.32531%0.309SS..  trans-55.4140.2176.7-26.835.1000112.1S375 M376P373-S375 PolarHBondContact O-N 2.84Å; P373-M376 HydrophobicContact CG-SD 4.21Å; P373-M376 PolarHBondContact O-N 3.17Å
374P92.9Very high94.7Very high141 Ų14166.4 Ų66.492%0.91635%0.349SS*.THydrogen-bonded Turntrans-59.5-20.9-178.4-26.134.2000115.1M376P374-M376 VanDerWaalsContact C-N 3.26Å
375S92.8Very high94.2Very high110 Ų11069.4 Ų69.477%0.76937%0.367SS*.THydrogen-bonded Turntrans-75.8-11.7175.258.10000113.8P373P373-S375 PolarHBondContact O-N 2.84Å
376M94.4Very high93.8Very high32 Ų3270.2 Ų70.216%0.15837%0.374CS..SBendtrans-114.1145.9-177.6-62.2178.7-175.900110.2R341 P342 Y345 T372 P373 P374R341-M376 HydrophobicContact CB-CE 3.69Å; R341-M376 HydrophobicContact CB-SD 3.96Å; P342-M376 HydrophobicContact CB-CG 4.48Å; P342-M376 HydrophobicContact CG-CE 4.18Å; P342-M376 HydrophobicContact CG-CG 4.27Å; Y345-M376 HydrophobicContact CD2-CB 4.35Å; Y345-M376 HydrophobicContact CD2-SD 3.48Å; Y345-M376 WeakPolarHBondContact CD2-SD 3.46Å; Y345-M376 HydrophobicContact CE2-SD 3.78Å; T372-M376 HydrophobicContact CG2-CB 3.95Å; P373-M376 HydrophobicContact CG-SD 4.21Å; P373-M376 PolarHBondContact O-N 3.17Å; P374-M376 VanDerWaalsContact C-N 3.26Å
377R94.9Very high93.4Very high207 Ų20769.3 Ų69.378%0.78138%0.377SS*.  trans-99.7114.6177.3-177.2-179.9178.1-178.21.8109.9Y345 G346Y345-R377 CarbonylContact C-O 3.49Å; G346-R377 WeakPolarHBondContact CA-O 3.13Å; G346-R377 PolarHBondContact N-O 2.92Å
378L97.4Very high93.1Very high30 Ų3072.1 Ų72.116%0.15739%0.39CS..  trans-71.7134.5169-179.869.7000110.5Y345 V348 L368 T372Y345-L378 HydrophobicContact CD1-CD1 4.09Å; Y345-L378 CarbonylContact O-C 3.54Å; Y345-L378 WeakPolarHBondContact O-CA 3.33Å; V348-L378 HydrophobicContact CG2-CD1 3.96Å; L368-L378 HydrophobicContact CB-CD1 4.06Å; L368-L378 HydrophobicContact CB-CD2 3.47Å; L368-L378 VanDerWaalsContact CB-CD2 3.47Å; L368-L378 HydrophobicContact CB-CG 4.44Å; L368-L378 HydrophobicContact CD1-CD1 4.3Å; T372-L378 HydrophobicContact CG2-CB 4.29Å
379K97.4Very high92.7Very high93 Ų9374 Ų7440%0.40440%0.398SS..  trans-136.7107.8163.7-179.2-177.7179-178.60109Y345 G346 V348 I381Y345-K379 PolarHBondContact O-N 2.8Å; G346-K379 WeakPolarHBondContact O-CB 3.28Å; V348-K379 PolarHBondContact N-O 3.37Å; K379-I381 HydrophobicContact CD-CG1 4.44Å; K379-I381 HydrophobicContact CG-CG1 4.22Å
380L97Very high92.5Very high33 Ų3374.4 Ų74.417%0.17339%0.389CS..EExtended strand (participates in β ladder)trans-78.9132.2169.7-160.870.8000109.4V348 V350 T361 L364 N365 L368V348-L380 HydrophobicContact CB-CD1 3.97Å; V348-L380 HydrophobicContact CG1-CD1 3.74Å; V348-L380 CarbonylContact O-C 3.3Å; V348-L380 WeakPolarHBondContact O-CA 3.39Å; V350-L380 HydrophobicContact CG2-CD1 3.43Å; V350-L380 VanDerWaalsContact CG2-CD1 3.43Å; V350-L380 HydrophobicContact CG2-CD2 4.21Å; V350-L380 HydrophobicContact CG2-CG 3.8Å; T361-L380 WeakPolarHBondContact O-CD2 3.36Å; L364-L380 HydrophobicContact CD2-CD1 3.89Å; L364-L380 HydrophobicContact CD2-CD2 4.24Å; L364-L380 HydrophobicContact CG-CD1 4.32Å; L364-L380 HydrophobicContact CG-CD2 4.41Å; N365-L380 HydrophobicContact CB-CD2 3.79Å; L368-L380 HydrophobicContact CD1-CD1 4.24Å
381I96.2Very high92.4Very high26 Ų2668.6 Ų68.613%0.13336%0.362CS..EExtended strand (participates in β ladder)trans-119.1106.5178.1-56.6175.8000106.8S347 V348 I349 V350 K379S347-I381 WeakPolarHBondContact OG-CD1 3.17Å; V348-I381 PolarHBondContact O-N 3.45Å; I349-I381 CarbonylContact C-O 3.51Å; I349-I381 WeakPolarHBondContact CA-O 3.49Å; I349-I381 HydrophobicContact CG1-CB 4.11Å; I349-I381 HydrophobicContact CG1-CD1 4.15Å; I349-I381 HydrophobicContact CG1-CG2 4.42Å; V350-I381 PolarHBondContact N-O 2.95Å; K379-I381 HydrophobicContact CD-CG1 4.44Å; K379-I381 HydrophobicContact CG-CG1 4.22Å
382A93.4Very high92.3Very high31 Ų3165.4 Ų65.426%0.25635%0.348SS..EExtended strand (participates in β ladder)trans-126.5122.1173.700000108V350 T361V350-A382 HydrophobicContact CB-CB 4.19Å; T361-A382 HydrophobicContact CG2-CB 3.62Å
383N88.4Confident92.4Very high36 Ų3665.4 Ų65.419%0.19335%0.349CS..  trans-69143.1178.8-68.9-30.7000110.5N162 T385 E388 R389N162-N383 PolarHBondContact OD1-ND2 3.36Å; N162-N383 VanDerWaalsContact OD1-ND2 3.15Å; N162-N383 PolarHBondContact OD1-OD1 3.38Å; N383-T385 VanDerWaalsContact C-N 3.31Å; N383-T385 PolarHBondContact O-N 3.09Å; N383-E388 HydrophobicContact CB-CB 3.59Å; N383-E388 HydrophobicContact CB-CG 4.46Å; N383-R389 HydrophobicContact CB-CG 4.22Å; N383-R389 VanDerWaalsContact O-CD 3.28Å; N383-R389 WeakPolarHBondContact O-CD 3.48Å; N383-R389 WeakPolarHBondContact O-CG 3.47Å; N383-R389 PolarHBondContact O-NE 3.11Å; N383-R389 VanDerWaalsContact O-NE 3.07Å
384N81.2Confident92.5Very high156 Ų15663 Ų6383%0.83433%0.334SS*.SBendtrans-74.3-25.7-173.4-67.9-23.6000112
385T86.8Confident92.7Very high63 Ų6357.5 Ų57.539%0.38730%0.296SS..SBendtrans-88.6144.2-178.576.50000111.6N383 V387 E388 R389N383-T385 VanDerWaalsContact C-N 3.31Å; N383-T385 PolarHBondContact O-N 3.09Å; T385-V387 PolarHBondContact O-N 3.39Å; T385-E388 WeakPolarHBondContact CB-OE2 3.33Å; T385-E388 WeakPolarHBondContact CG2-OE2 3.35Å; T385-E388 WeakPolarHBondContact OG1-CB 3.44Å; T385-E388 WeakPolarHBondContact OG1-CG 3.33Å; T385-E388 PolarHBondContact OG1-N 2.92Å; T385-E388 VanDerWaalsContact OG1-N 3.14Å; T385-E388 PolarHBondContact OG1-OE2 3.19Å; T385-R389 PolarHBondContact O-N 3.12Å
386T88.3Confident92.8Very high82 Ų8252.2 Ų52.250%0.50326%0.259SS..Hα-helixtrans-60.8-37.5173.7-57.50000111.6L356 R390L356-T386 HydrophobicContact CD1-CG2 3.72Å; L356-T386 HydrophobicContact CD2-CG2 4.06Å; T386-R390 WeakPolarHBondContact O-CB 3.47Å; T386-R390 PolarHBondContact O-N 3.1Å
387V88.8Confident92.9Very high58 Ų5850.7 Ų50.735%0.35225%0.252SS..Hα-helixtrans-62-51.6-179.6177.30000110.5C32 T385 R389 R390 F391C32-V387 VanDerWaalsContact SG-CG1 3.59Å; T385-V387 PolarHBondContact O-N 3.39Å; V387-R389 PolarHBondContact O-N 3.36Å; V387-R390 PolarHBondContact O-N 3.18Å; V387-F391 HydrophobicContact CB-CD2 4.38Å; V387-F391 HydrophobicContact CG1-CD2 3.49Å; V387-F391 VanDerWaalsContact CG1-CD2 3.49Å; V387-F391 HydrophobicContact CG1-CE2 3.91Å; V387-F391 HydrophobicContact CG1-CG 4.49Å; V387-F391 VanDerWaalsContact O-CB 3.28Å; V387-F391 WeakPolarHBondContact O-CB 3.21Å; V387-F391 WeakPolarHBondContact O-CG 3.46Å; V387-F391 PolarHBondContact O-N 3.16Å
388E89.8Confident93Very high75 Ų7541 Ų4135%0.3522%0.215SC..Hα-helixtrans-65.6-39.4-177.5-70.2164.3135.800112.7N383 T385 S392 I395N383-E388 HydrophobicContact CB-CB 3.59Å; N383-E388 HydrophobicContact CB-CG 4.46Å; T385-E388 WeakPolarHBondContact CB-OE2 3.33Å; T385-E388 WeakPolarHBondContact CG2-OE2 3.35Å; T385-E388 WeakPolarHBondContact OG1-CB 3.44Å; T385-E388 WeakPolarHBondContact OG1-CG 3.33Å; T385-E388 PolarHBondContact OG1-N 2.92Å; T385-E388 VanDerWaalsContact OG1-N 3.14Å; T385-E388 PolarHBondContact OG1-OE2 3.19Å; E388-S392 VanDerWaalsContact O-CA 3.24Å; E388-S392 WeakPolarHBondContact O-CA 3.25Å; E388-S392 WeakPolarHBondContact O-CB 3.26Å; E388-S392 PolarHBondContact O-N 3.38Å; E388-I395 HydrophobicContact CB-CD1 4.4Å; E388-I395 HydrophobicContact CG-CD1 4.19Å
389R90.3Very high92.9Very high41 Ų4142.7 Ų42.716%0.15522%0.224CC..Hα-helixtrans-68.9-38.4177-78-172.1-73.1-165.9-4.1112.5G352 L356 N383 T385 V387G352-R389 PolarHBondContact N-O 2.78Å; L356-R389 HydrophobicContact CD2-CB 4.15Å; N383-R389 HydrophobicContact CB-CG 4.22Å; N383-R389 VanDerWaalsContact O-CD 3.28Å; N383-R389 WeakPolarHBondContact O-CD 3.48Å; N383-R389 WeakPolarHBondContact O-CG 3.47Å; N383-R389 PolarHBondContact O-NE 3.11Å; N383-R389 VanDerWaalsContact O-NE 3.07Å; T385-R389 PolarHBondContact O-N 3.12Å; V387-R389 PolarHBondContact O-N 3.36Å
390R90.9Very high92.7Very high73 Ų7339.2 Ų39.228%0.27521%0.21SC..Hα-helixtrans-76.6-41.4-178.6-170.8177.9168-155.4-11111.5T22 R24 D36 T386 V387T22-R390 VanDerWaalsContact CG2-NH2 3.26Å; R24-R390 PolarHBondContact NH1-O 2.9Å; R24-R390 PolarHBondContact NH2-O 3.26Å; D36-R390 IonicContact OD1-CZ 3.81Å; D36-R390 IonicContact OD1-NH2 3.6Å; D36-R390 PolarHBondContact OD1-NH2 3.27Å; D36-R390 IonicContact OD2-CZ 2.66Å; D36-R390 IonicContact OD2-NH1 3.46Å; D36-R390 PolarHBondContact OD2-NH1 3.44Å; D36-R390 VanDerWaalsContact OD2-NH1 3.14Å; D36-R390 IonicContact OD2-NH2 3.85Å; D36-R390 PolarHBondContact OD2-NH2 3.45Å; T386-R390 WeakPolarHBondContact O-CB 3.47Å; T386-R390 PolarHBondContact O-N 3.1Å; V387-R390 PolarHBondContact O-N 3.18Å
391F93.2Very high92.6Very high19 Ų1937.7 Ų37.78%0.08320%0.202CC..Hα-helixtrans-104.614.9-171.9-52.4-25.6000113.6R24 P33 D36 V387 S393 W394 I395R24-F391 HydrophobicContact CG-CD1 4.44Å; R24-F391 VanDerWaalsContact NE-CD1 3.34Å; P33-F391 HydrophobicContact CG-CD2 3.89Å; P33-F391 HydrophobicContact CG-CE2 4Å; P33-F391 HydrophobicContact CG-CG 4.27Å; P33-F391 HydrophobicContact CG-CZ 4.42Å; D36-F391 HydrophobicContact CB-CE1 4.5Å; D36-F391 HydrophobicContact CB-CZ 4.27Å; V387-F391 HydrophobicContact CB-CD2 4.38Å; V387-F391 HydrophobicContact CG1-CD2 3.49Å; V387-F391 VanDerWaalsContact CG1-CD2 3.49Å; V387-F391 HydrophobicContact CG1-CE2 3.91Å; V387-F391 HydrophobicContact CG1-CG 4.49Å; V387-F391 VanDerWaalsContact O-CB 3.28Å; V387-F391 WeakPolarHBondContact O-CB 3.21Å; V387-F391 WeakPolarHBondContact O-CG 3.46Å; V387-F391 PolarHBondContact O-N 3.16Å; F391-S393 VanDerWaalsContact C-N 3.31Å; F391-S393 PolarHBondContact O-N 2.63Å; F391-W394 WeakPolarHBondContact O-CA 3.49Å; F391-W394 WeakPolarHBondContact O-CB 3.48Å; F391-W394 PolarHBondContact O-N 2.94Å; F391-I395 HydrophobicContact CB-CD1 4.22Å; F391-I395 HydrophobicContact CB-CG1 4.31Å; F391-I395 WeakPolarHBondContact O-CG1 3.41Å; F391-I395 PolarHBondContact O-N 3.45Å
392S94.8Very high92.4Very high4 Ų439.1 Ų39.13%0.02821%0.214CC..Hα-helixtrans-53.2-43.6-171.5-164.50000114.1T158 A161 E388 I395 G396T158-S392 WeakPolarHBondContact CG2-OG 3.38Å; A161-S392 VanDerWaalsContact CB-O 3.28Å; A161-S392 WeakPolarHBondContact CB-O 3.36Å; E388-S392 VanDerWaalsContact O-CA 3.24Å; E388-S392 WeakPolarHBondContact O-CA 3.25Å; E388-S392 WeakPolarHBondContact O-CB 3.26Å; E388-S392 PolarHBondContact O-N 3.38Å; S392-I395 PolarHBondContact O-N 2.86Å; S392-G396 PolarHBondContact O-N 2.9Å
393S96.3Very high92.3Very high14 Ų1440.6 Ų40.610%0.09822%0.217CC..Hα-helixtrans-62-44.9175.239.60000112.3D17 L157 F391 G396 G397D17-S393 PolarHBondContact OD1-OG 3.22Å; D17-S393 PolarHBondContact OD2-OG 3.14Å; L157-S393 VanDerWaalsContact CB-O 3.28Å; L157-S393 WeakPolarHBondContact CB-O 3.39Å; L157-S393 WeakPolarHBondContact CD1-O 3.4Å; F391-S393 VanDerWaalsContact C-N 3.31Å; F391-S393 PolarHBondContact O-N 2.63Å; S393-G396 PolarHBondContact O-N 3.18Å; S393-G397 PolarHBondContact O-N 2.95Å
394W97.8Very high92.3Very high0 Ų041.3 Ų41.30%023%0.233CC..Hα-helixtrans-63.9-45.8176.7-17488.7000111.8V15 D17 R24 E30 C32 P33 F391 G396 G397 S398V15-W394 HydrophobicContact CB-CZ2 4.48Å; V15-W394 HydrophobicContact CG1-CG 4.31Å; V15-W394 PolarHBondContact O-NE1 3.29Å; D17-W394 HydrophobicContact CB-CB 3.78Å; D17-W394 HydrophobicContact CB-CG 4.24Å; D17-W394 PolarHBondContact OD2-N 3.26Å; R24-W394 HydrophobicContact CB-CG 4.29Å; E30-W394 HydrophobicContact CB-CH2 4.1Å; E30-W394 WeakPolarHBondContact O-CH2 2.98Å; E30-W394 WeakPolarHBondContact O-CZ3 3.47Å; C32-W394 WeakPolarHBondContact O-CH2 3.49Å; P33-W394 HydrophobicContact CB-CD2 3.74Å; P33-W394 HydrophobicContact CB-CE3 4.18Å; P33-W394 HydrophobicContact CB-CG 4.16Å; P33-W394 HydrophobicContact CB-CH2 4.47Å; P33-W394 HydrophobicContact CB-CZ2 4.06Å; P33-W394 HydrophobicContact CG-CD2 4.28Å; P33-W394 HydrophobicContact CG-CE3 4.39Å; P33-W394 VanDerWaalsContact N-CZ3 3.32Å; F391-W394 WeakPolarHBondContact O-CA 3.49Å; F391-W394 WeakPolarHBondContact O-CB 3.48Å; F391-W394 PolarHBondContact O-N 2.94Å; W394-G396 VanDerWaalsContact C-N 3.28Å; W394-G396 PolarHBondContact O-N 3.42Å; W394-G397 CarbonylContact O-C 3.59Å; W394-G397 WeakPolarHBondContact O-CA 3.46Å; W394-G397 PolarHBondContact O-N 2.84Å; W394-S398 PolarHBondContact O-N 3.06Å
395I95.9Very high92.6Very high24 Ų2439.6 Ų39.612%0.12323%0.228CC..Hα-helixtrans-58.6-44176.9-66.8167.6000110A161 E388 F391 S392 G397 S398 I399A161-I395 HydrophobicContact CB-CB 4.32Å; A161-I395 HydrophobicContact CB-CG2 4.09Å; E388-I395 HydrophobicContact CB-CD1 4.4Å; E388-I395 HydrophobicContact CG-CD1 4.19Å; F391-I395 HydrophobicContact CB-CD1 4.22Å; F391-I395 HydrophobicContact CB-CG1 4.31Å; F391-I395 WeakPolarHBondContact O-CG1 3.41Å; F391-I395 PolarHBondContact O-N 3.45Å; S392-I395 PolarHBondContact O-N 2.86Å; I395-G397 VanDerWaalsContact C-N 3.29Å; I395-G397 PolarHBondContact O-N 2.91Å; I395-S398 WeakPolarHBondContact O-CB 3.04Å; I395-S398 PolarHBondContact O-N 3.43Å; I395-S398 VanDerWaalsContact O-N 3.13Å; I395-I399 HydrophobicContact CG2-CD1 3.9Å; I395-I399 HydrophobicContact CG2-CG1 4.4Å; I395-I399 WeakPolarHBondContact O-CG1 3.35Å; I395-I399 PolarHBondContact O-N 3.41Å
396G96.1Very high92.7Very high0 Ų037 Ų370%021%0.212CC..Hα-helixtrans-57.9-41.6174.600000113.1L157 S392 S393 W394 L400L157-G396 VanDerWaalsContact O-CA 3.23Å; L157-G396 WeakPolarHBondContact O-CA 3.24Å; S392-G396 PolarHBondContact O-N 2.9Å; S393-G396 PolarHBondContact O-N 3.18Å; W394-G396 VanDerWaalsContact C-N 3.28Å; W394-G396 PolarHBondContact O-N 3.42Å; G396-L400 WeakPolarHBondContact O-CB 3.29Å; G396-L400 PolarHBondContact O-N 2.71Å
397G96.7Very high92.6Very high0 Ų035 Ų350%020%0.197CC..Hα-helixtrans-65.3-41.1173.800000112.8S393 W394 I395 L400 A401S393-G397 PolarHBondContact O-N 2.95Å; W394-G397 CarbonylContact O-C 3.59Å; W394-G397 WeakPolarHBondContact O-CA 3.46Å; W394-G397 PolarHBondContact O-N 2.84Å; I395-G397 VanDerWaalsContact C-N 3.29Å; I395-G397 PolarHBondContact O-N 2.91Å; G397-L400 PolarHBondContact O-N 3.17Å; G397-A401 VanDerWaalsContact O-CB 3.23Å; G397-A401 WeakPolarHBondContact O-CB 3.38Å; G397-A401 PolarHBondContact O-N 3.42Å
398S96.2Very high92.5Very high2 Ų240.4 Ų40.41%0.01422%0.218CC..Hα-helixtrans-61.7-46.7177.5-178.80000111.6G29 E30 W394 I395 S402G29-S398 PolarHBondContact N-O 3.03Å; G29-S398 PolarHBondContact N-OG 3.27Å; E30-S398 PolarHBondContact N-OG 2.61Å; E30-S398 PolarHBondContact O-OG 3.43Å; W394-S398 PolarHBondContact O-N 3.06Å; I395-S398 WeakPolarHBondContact O-CB 3.04Å; I395-S398 PolarHBondContact O-N 3.43Å; I395-S398 VanDerWaalsContact O-N 3.13Å; S398-S402 WeakPolarHBondContact O-CB 3.37Å; S398-S402 PolarHBondContact O-N 3.03Å; S398-S402 PolarHBondContact O-OG 3.35Å
399I94.6Very high92.7Very high66 Ų6640.9 Ų40.934%0.33822%0.221SC..Hα-helixtrans-66-50.4176.1-58.6168.8000109.4F160 I395 A401 S402 L403F160-I399 HydrophobicContact CD1-CB 4.19Å; F160-I399 HydrophobicContact CD1-CG2 4.09Å; F160-I399 HydrophobicContact CE1-CB 4.14Å; F160-I399 HydrophobicContact CE1-CG2 3.65Å; I395-I399 HydrophobicContact CG2-CD1 3.9Å; I395-I399 HydrophobicContact CG2-CG1 4.4Å; I395-I399 WeakPolarHBondContact O-CG1 3.35Å; I395-I399 PolarHBondContact O-N 3.41Å; I399-A401 PolarHBondContact O-N 3.38Å; I399-S402 PolarHBondContact O-N 3.44Å; I399-S402 PolarHBondContact O-OG 2.82Å; I399-L403 WeakPolarHBondContact O-CG 3.39Å; I399-L403 PolarHBondContact O-N 2.75Å
400L94.2Very high92.9Very high21 Ų2139.6 Ų39.611%0.1122%0.217CC..Hα-helixtrans-59.4-46.2-176.3-176.360.7000112.7L121 L157 F160 G396 G397 S402 L403 F406L121-L400 HydrophobicContact CD1-CB 4.45Å; L121-L400 HydrophobicContact CD1-CD2 4.08Å; L121-L400 HydrophobicContact CD1-CG 4.34Å; L157-L400 HydrophobicContact CD2-CD2 3.92Å; F160-L400 HydrophobicContact CD1-CB 3.93Å; F160-L400 HydrophobicContact CD1-CD1 4.44Å; F160-L400 HydrophobicContact CE1-CB 3.9Å; F160-L400 HydrophobicContact CE1-CD1 3.99Å; F160-L400 HydrophobicContact CE2-CD1 4.3Å; F160-L400 HydrophobicContact CZ-CD1 3.93Å; G396-L400 WeakPolarHBondContact O-CB 3.29Å; G396-L400 PolarHBondContact O-N 2.71Å; G397-L400 PolarHBondContact O-N 3.17Å; L400-S402 VanDerWaalsContact C-N 3.27Å; L400-S402 PolarHBondContact O-N 3.32Å; L400-L403 PolarHBondContact O-N 3.39Å; L400-F406 HydrophobicContact CD1-CD2 3.49Å; L400-F406 VanDerWaalsContact CD1-CD2 3.49Å; L400-F406 HydrophobicContact CD1-CE2 3.79Å; L400-F406 HydrophobicContact CD1-CG 4.16Å; L400-F406 HydrophobicContact CD2-CD2 4.31Å; L400-F406 HydrophobicContact CD2-CE2 3.74Å; L400-F406 HydrophobicContact CD2-CZ 4.08Å; L400-F406 HydrophobicContact CG-CD2 3.68Å; L400-F406 HydrophobicContact CG-CE1 4.46Å; L400-F406 HydrophobicContact CG-CE2 3.58Å; L400-F406 HydrophobicContact CG-CG 4.17Å; L400-F406 HydrophobicContact CG-CZ 3.99Å; L400-F406 VanDerWaalsContact O-CB 3.24Å; L400-F406 WeakPolarHBondContact O-CB 3.4Å; L400-F406 WeakPolarHBondContact O-CG 3.3Å
401A94.4Very high93.2Very high0 Ų036.1 Ų36.10%020%0.203CC..Hα-helixtrans-72.2-17.5-178.600000114A13 V15 A28 L121 G397 I399 W410A13-A401 HydrophobicContact CB-CB 4.22Å; V15-A401 HydrophobicContact CG2-CB 4.18Å; A28-A401 HydrophobicContact CB-CB 3.58Å; L121-A401 HydrophobicContact CB-CB 4.3Å; L121-A401 HydrophobicContact CD1-CB 4.12Å; G397-A401 VanDerWaalsContact O-CB 3.23Å; G397-A401 WeakPolarHBondContact O-CB 3.38Å; G397-A401 PolarHBondContact O-N 3.42Å; I399-A401 PolarHBondContact O-N 3.38Å; A401-W410 HydrophobicContact CB-CH2 4.11Å; A401-W410 HydrophobicContact CB-CZ2 4.01Å
402S92.7Very high93.3Very high56 Ų5637.1 Ų37.139%0.39221%0.213SC..Hα-helixtrans-90-6.8176.556.60000113.7S398 I399 L400S398-S402 WeakPolarHBondContact O-CB 3.37Å; S398-S402 PolarHBondContact O-N 3.03Å; S398-S402 PolarHBondContact O-OG 3.35Å; I399-S402 PolarHBondContact O-N 3.44Å; I399-S402 PolarHBondContact O-OG 2.82Å; L400-S402 VanDerWaalsContact C-N 3.27Å; L400-S402 PolarHBondContact O-N 3.32Å
403L91.3Very high93.4Very high62 Ų6240.2 Ų40.233%0.32523%0.226SC..  trans-77.5128178-67.7172.9000111.9F160 I399 L400 T405 F406F160-L403 HydrophobicContact CE1-CD1 3.7Å; F160-L403 HydrophobicContact CZ-CD1 3.38Å; I399-L403 WeakPolarHBondContact O-CG 3.39Å; I399-L403 PolarHBondContact O-N 2.75Å; L400-L403 PolarHBondContact O-N 3.39Å; L403-T405 PolarHBondContact O-N 3.12Å; L403-F406 HydrophobicContact CB-CB 4.18Å; L403-F406 VanDerWaalsContact O-CB 3.29Å; L403-F406 WeakPolarHBondContact O-CB 3.45Å; L403-F406 PolarHBondContact O-N 3.05Å
404G87.2Confident93.4Very high51 Ų5145.3 Ų45.353%0.52625%0.248SC..G310 helixtrans-58.4-29.9174.200000113.8F406 Q407G404-F406 VanDerWaalsContact C-N 3.28Å; G404-F406 PolarHBondContact O-N 2.78Å; G404-Q407 WeakPolarHBondContact O-CB 3.2Å; G404-Q407 VanDerWaalsContact O-CG 3.29Å; G404-Q407 WeakPolarHBondContact O-CG 3.29Å; G404-Q407 PolarHBondContact O-N 3.45Å
405T87.5Confident93.3Very high120 Ų12047.9 Ų47.974%0.73626%0.26SS*.G310 helixtrans-71.3-21.7175.351.30000113.4L403 Q407L403-T405 PolarHBondContact O-N 3.12Å; T405-Q407 PolarHBondContact O-N 2.85Å
406F89.7Confident93.4Very high10 Ų1047.6 Ų47.64%0.04426%0.258CS..G310 helixtrans-75.7-14.3179.1-170.7-108.4000112.7L121 F150 L400 L403 G404 Q408 M409 W410L121-F406 HydrophobicContact CD1-CE1 4.08Å; L121-F406 HydrophobicContact CD1-CZ 4.02Å; F150-F406 HydrophobicContact CB-CE1 4.32Å; F150-F406 HydrophobicContact CB-CZ 4.02Å; F150-F406 HydrophobicContact CD1-CE2 4.26Å; F150-F406 AromaticContact CD1-CZ 3.56Å; F150-F406 HydrophobicContact CD1-CZ 3.56Å; F150-F406 HydrophobicContact CD2-CE2 4.43Å; F150-F406 AromaticContact CD2-CZ 3.88Å; F150-F406 HydrophobicContact CD2-CZ 3.88Å; F150-F406 HydrophobicContact CE1-CE2 4.12Å; F150-F406 AromaticContact CE1-CZ 3.9Å; F150-F406 HydrophobicContact CE1-CZ 3.9Å; F150-F406 HydrophobicContact CE2-CE2 4.32Å; F150-F406 HydrophobicContact CE2-CZ 4.2Å; F150-F406 HydrophobicContact CG-CE1 4.31Å; F150-F406 HydrophobicContact CG-CE2 4.4Å; F150-F406 AromaticContact CG-CZ 3.54Å; F150-F406 HydrophobicContact CG-CZ 3.54Å; F150-F406 HydrophobicContact CZ-CE2 4.16Å; F150-F406 HydrophobicContact CZ-CZ 4.2Å; L400-F406 HydrophobicContact CD1-CD2 3.49Å; L400-F406 VanDerWaalsContact CD1-CD2 3.49Å; L400-F406 HydrophobicContact CD1-CE2 3.79Å; L400-F406 HydrophobicContact CD1-CG 4.16Å; L400-F406 HydrophobicContact CD2-CD2 4.31Å; L400-F406 HydrophobicContact CD2-CE2 3.74Å; L400-F406 HydrophobicContact CD2-CZ 4.08Å; L400-F406 HydrophobicContact CG-CD2 3.68Å; L400-F406 HydrophobicContact CG-CE1 4.46Å; L400-F406 HydrophobicContact CG-CE2 3.58Å; L400-F406 HydrophobicContact CG-CG 4.17Å; L400-F406 HydrophobicContact CG-CZ 3.99Å; L400-F406 VanDerWaalsContact O-CB 3.24Å; L400-F406 WeakPolarHBondContact O-CB 3.4Å; L400-F406 WeakPolarHBondContact O-CG 3.3Å; L403-F406 HydrophobicContact CB-CB 4.18Å; L403-F406 VanDerWaalsContact O-CB 3.29Å; L403-F406 WeakPolarHBondContact O-CB 3.45Å; L403-F406 PolarHBondContact O-N 3.05Å; G404-F406 VanDerWaalsContact C-N 3.28Å; G404-F406 PolarHBondContact O-N 2.78Å; F406-Q408 PolarHBondContact O-N 2.87Å; F406-M409 HydrophobicContact CD2-CB 3.8Å; F406-M409 HydrophobicContact CD2-CG 3.92Å; F406-M409 HydrophobicContact CE2-CB 3.7Å; F406-M409 HydrophobicContact CE2-CG 4.14Å; F406-M409 HydrophobicContact CG-CB 4.4Å; F406-M409 HydrophobicContact CZ-CB 4.23Å; F406-M409 WeakPolarHBondContact O-CB 3.21Å; F406-M409 PolarHBondContact O-N 3.41Å; F406-W410 HydrophobicContact CD1-CD2 4.36Å; F406-W410 AromaticContact CD1-CE2 3.68Å; F406-W410 AromaticContact CD1-CZ2 3.8Å; F406-W410 HydrophobicContact CD1-CZ2 3.8Å; F406-W410 AromaticContact CD1-NE1 3.76Å; F406-W410 AromaticContact CE1-CD2 3.95Å; F406-W410 HydrophobicContact CE1-CD2 3.95Å; F406-W410 AromaticContact CE1-CE2 3.59Å; F406-W410 HydrophobicContact CE1-CE3 4.24Å; F406-W410 AromaticContact CE1-CH2 3.91Å; F406-W410 HydrophobicContact CE1-CH2 3.91Å; F406-W410 AromaticContact CE1-CZ2 3.58Å; F406-W410 HydrophobicContact CE1-CZ2 3.58Å; F406-W410 HydrophobicContact CE1-CZ3 4.2Å
407Q85.7Confident93.5Very high40 Ų4053.9 Ų53.919%0.18729%0.287CS..G310 helixtrans-56.8-28.8-177.2-65.1-57-36.300113.9G404 T405 M409G404-Q407 WeakPolarHBondContact O-CB 3.2Å; G404-Q407 VanDerWaalsContact O-CG 3.29Å; G404-Q407 WeakPolarHBondContact O-CG 3.29Å; G404-Q407 PolarHBondContact O-N 3.45Å; T405-Q407 PolarHBondContact O-N 2.85Å; Q407-M409 VanDerWaalsContact C-N 3.32Å
408Q88.3Confident93.5Very high171 Ų17160.8 Ų60.880%0.79932%0.319SS*.G310 helixtrans-80.4-12.4179-60.2-177.7300113.7F406F406-Q408 PolarHBondContact O-N 2.87Å
409M92.2Very high93.3Very high84 Ų8462.6 Ų62.641%0.41434%0.338SS..THydrogen-bonded Turntrans-87.9-24.7-176.3-64.2-59.4-63.300112.9F150 F406 Q407F150-M409 HydrophobicContact CD2-CB 4.34Å; F150-M409 WeakPolarHBondContact CD2-O 3.42Å; F150-M409 HydrophobicContact CE2-CB 4Å; F150-M409 HydrophobicContact CE2-CE 4.27Å; F406-M409 HydrophobicContact CD2-CB 3.8Å; F406-M409 HydrophobicContact CD2-CG 3.92Å; F406-M409 HydrophobicContact CE2-CB 3.7Å; F406-M409 HydrophobicContact CE2-CG 4.14Å; F406-M409 HydrophobicContact CG-CB 4.4Å; F406-M409 HydrophobicContact CZ-CB 4.23Å; F406-M409 WeakPolarHBondContact O-CB 3.21Å; F406-M409 PolarHBondContact O-N 3.41Å; Q407-M409 VanDerWaalsContact C-N 3.32Å
410W95.4Very high93.4Very high15 Ų1560.9 Ų60.96%0.05734%0.337CS..SBendtrans-54.3142.2178.3-65.2114.1000111.7A13 P119 V120 L121 A148 F150 A401 F406 S412A13-W410 HydrophobicContact CB-CH2 4.14Å; A13-W410 HydrophobicContact CB-CZ2 4.05Å; P119-W410 HydrophobicContact CB-CH2 4.25Å; P119-W410 HydrophobicContact CB-CZ2 4.33Å; P119-W410 HydrophobicContact CB-CZ3 4.38Å; V120-W410 WeakPolarHBondContact O-CZ3 3.4Å; L121-W410 HydrophobicContact CB-CH2 3.79Å; L121-W410 HydrophobicContact CB-CZ3 4.06Å; A148-W410 HydrophobicContact CB-CB 3.94Å; A148-W410 HydrophobicContact CB-CD2 4.47Å; A148-W410 HydrophobicContact CB-CE3 4.45Å; A148-W410 HydrophobicContact CB-CG 4.27Å; F150-W410 HydrophobicContact CB-CD2 4.47Å; F150-W410 HydrophobicContact CB-CE3 3.51Å; F150-W410 HydrophobicContact CB-CZ3 3.55Å; A401-W410 HydrophobicContact CB-CH2 4.11Å; A401-W410 HydrophobicContact CB-CZ2 4.01Å; F406-W410 HydrophobicContact CD1-CD2 4.36Å; F406-W410 AromaticContact CD1-CE2 3.68Å; F406-W410 AromaticContact CD1-CZ2 3.8Å; F406-W410 HydrophobicContact CD1-CZ2 3.8Å; F406-W410 AromaticContact CD1-NE1 3.76Å; F406-W410 AromaticContact CE1-CD2 3.95Å; F406-W410 HydrophobicContact CE1-CD2 3.95Å; F406-W410 AromaticContact CE1-CE2 3.59Å; F406-W410 HydrophobicContact CE1-CE3 4.24Å; F406-W410 AromaticContact CE1-CH2 3.91Å; F406-W410 HydrophobicContact CE1-CH2 3.91Å; F406-W410 AromaticContact CE1-CZ2 3.58Å; F406-W410 HydrophobicContact CE1-CZ2 3.58Å; F406-W410 HydrophobicContact CE1-CZ3 4.2Å; W410-S412 PolarHBondContact O-N 3.35Å
411I96.8Very high93.5Very high0 Ų063.2 Ų63.20%035%0.346CS..EExtended strand (participates in β ladder)trans-81.2112.2161.7-57.1169.2000105.6F141 A148 F149 E415 C423 V424 K427F141-I411 HydrophobicContact CE2-CG2 4Å; F141-I411 HydrophobicContact CZ-CB 4.3Å; F141-I411 HydrophobicContact CZ-CG2 3.94Å; F141-I411 WeakPolarHBondContact CZ-O 3.35Å; A148-I411 CarbonylContact C-O 3.56Å; A148-I411 WeakPolarHBondContact CA-O 3.13Å; A148-I411 WeakPolarHBondContact CB-O 3.47Å; F149-I411 PolarHBondContact N-O 2.97Å; F149-I411 WeakPolarHBondContact O-CB 3.36Å; F149-I411 PolarHBondContact O-N 3.31Å; I411-E415 WeakPolarHBondContact CA-OE2 3.39Å; I411-E415 HydrophobicContact CG2-CB 4.45Å; I411-C423 HydrophobicContact CG2-CB 4.37Å; I411-C423 WeakPolarHBondContact CG2-SG 3.48Å; I411-V424 HydrophobicContact CD1-CB 4.18Å; I411-V424 HydrophobicContact CD1-CG2 4.31Å; I411-K427 HydrophobicContact CD1-CB 4.01Å; I411-K427 HydrophobicContact CG1-CB 3.65Å; I411-K427 HydrophobicContact CG1-CG 4.04Å
412S96.3Very high93.5Very high40 Ų4068.8 Ų68.828%0.2837%0.372SS..EExtended strand (participates in β ladder)trans-75.7156.7174.668.40000111.1W410 Q414 E415 Y416W410-S412 PolarHBondContact O-N 3.35Å; S412-Q414 PolarHBondContact O-N 3.32Å; S412-E415 PolarHBondContact N-OE2 3.15Å; S412-E415 PolarHBondContact O-N 3.06Å; S412-E415 VanDerWaalsContact O-N 3.09Å; S412-E415 WeakPolarHBondContact OG-CG 3.27Å; S412-E415 PolarHBondContact OG-N 3.33Å; S412-E415 VanDerWaalsContact OG-N 3.14Å; S412-Y416 PolarHBondContact O-N 3.13Å
413K96.3Very high93.6Very high69 Ų6966.3 Ų66.330%0.336%0.355SS..Hα-helixtrans-55.6-37.8172.8-172.7177.9179.3-167.20112.6F141 N145 P147 Y416 E417F141-K413 HydrophobicContact CD1-CB 4.24Å; F141-K413 HydrophobicContact CD1-CG 4.22Å; F141-K413 HydrophobicContact CE1-CB 4.07Å; N145-K413 WeakPolarHBondContact OD1-CE 3.26Å; N145-K413 PolarHBondContact OD1-NZ 2.89Å; P147-K413 WeakPolarHBondContact O-CB 3.47Å; P147-K413 PolarHBondContact O-N 3.13Å; K413-Y416 WeakPolarHBondContact O-CB 3.5Å; K413-Y416 PolarHBondContact O-N 3.41Å; K413-E417 WeakPolarHBondContact CE-OE1 3.47Å; K413-E417 IonicContact NZ-OE1 2.61Å; K413-E417 WeakPolarHBondContact O-CG 3.36Å; K413-E417 PolarHBondContact O-N 3.16Å
414Q96.4Very high93.9Very high120 Ų12063.4 Ų63.456%0.56134%0.339SS*.Hα-helixtrans-62.8-45.8175.3-177.3-177.8-10.600111.6S412 Y416 E417 E418S412-Q414 PolarHBondContact O-N 3.32Å; Q414-Y416 VanDerWaalsContact C-N 3.26Å; Q414-Y416 PolarHBondContact O-N 3.06Å; Q414-E417 PolarHBondContact O-N 3.48Å; Q414-E418 WeakPolarHBondContact CG-OE1 3.04Å; Q414-E418 PolarHBondContact NE2-OE1 3.24Å; Q414-E418 WeakPolarHBondContact O-CG 3.34Å; Q414-E418 PolarHBondContact O-N 3.38Å
415E96Very high94.3Very high54 Ų5464.1 Ų64.125%0.25233%0.329SS..Hα-helixtrans-62.6-34.6176.1-74.5176.2134.600112.1I411 S412 G419 K427I411-E415 WeakPolarHBondContact CA-OE2 3.39Å; I411-E415 HydrophobicContact CG2-CB 4.45Å; S412-E415 PolarHBondContact N-OE2 3.15Å; S412-E415 PolarHBondContact O-N 3.06Å; S412-E415 VanDerWaalsContact O-N 3.09Å; S412-E415 WeakPolarHBondContact OG-CG 3.27Å; S412-E415 PolarHBondContact OG-N 3.33Å; S412-E415 VanDerWaalsContact OG-N 3.14Å; E415-G419 PolarHBondContact O-N 3.02Å; E415-K427 VanDerWaalsContact OE1-CE 3.31Å; E415-K427 WeakPolarHBondContact OE1-CE 3Å; E415-K427 IonicContact OE1-NZ 3.48Å; E415-K427 PolarHBondContact OE1-NZ 2.88Å; E415-K427 IonicContact OE2-NZ 3.89Å; E415-K427 PolarHBondContact OE2-NZ 3.46Å
416Y97.8Very high94.5Very high19 Ų1966.9 Ų66.98%0.07533%0.326CS..Hα-helixtrans-65.6-45.5172.7174.7-96.2000111.9T137 F141 E142 S412 K413 Q414 E418 G420 K421T137-Y416 HydrophobicContact CG2-CD2 3.94Å; T137-Y416 HydrophobicContact CG2-CE2 3.96Å; F141-Y416 HydrophobicContact CB-CD1 3.63Å; F141-Y416 HydrophobicContact CB-CD2 4.21Å; F141-Y416 HydrophobicContact CB-CE1 3.65Å; F141-Y416 HydrophobicContact CB-CE2 4.19Å; F141-Y416 HydrophobicContact CB-CG 3.93Å; F141-Y416 HydrophobicContact CD1-CD1 4.42Å; F141-Y416 HydrophobicContact CD1-CG 4.28Å; F141-Y416 HydrophobicContact CD2-CD1 4.1Å; F141-Y416 AromaticContact CD2-CD2 3.34Å; F141-Y416 HydrophobicContact CD2-CD2 3.34Å; F141-Y416 AromaticContact CD2-CE2 3.88Å; F141-Y416 HydrophobicContact CD2-CE2 3.88Å; F141-Y416 AromaticContact CD2-CG 3.47Å; F141-Y416 HydrophobicContact CD2-CG 3.47Å; F141-Y416 VanDerWaalsContact CD2-CG 3.47Å; F141-Y416 AromaticContact CE2-CD2 3.87Å; F141-Y416 HydrophobicContact CE2-CD2 3.87Å; F141-Y416 AromaticContact CE2-CG 3.96Å; F141-Y416 HydrophobicContact CE2-CG 3.96Å; F141-Y416 AromaticContact CG-CD1 3.82Å; F141-Y416 HydrophobicContact CG-CD1 3.82Å; F141-Y416 AromaticContact CG-CD2 3.95Å; F141-Y416 HydrophobicContact CG-CD2 3.95Å; F141-Y416 HydrophobicContact CG-CE1 4.3Å; F141-Y416 HydrophobicContact CG-CE2 4.38Å; F141-Y416 AromaticContact CG-CG 3.64Å; F141-Y416 HydrophobicContact CG-CG 3.64Å; E142-Y416 HydrophobicContact CG-CE1 4Å; E142-Y416 PolarHBondContact OE1-OH 3.17Å; S412-Y416 PolarHBondContact O-N 3.13Å; K413-Y416 WeakPolarHBondContact O-CB 3.5Å; K413-Y416 PolarHBondContact O-N 3.41Å; Q414-Y416 VanDerWaalsContact C-N 3.26Å; Q414-Y416 PolarHBondContact O-N 3.06Å; Y416-E418 VanDerWaalsContact C-N 3.28Å; Y416-E418 PolarHBondContact O-N 3.22Å; Y416-G420 WeakPolarHBondContact O-CA 3.39Å; Y416-G420 PolarHBondContact O-N 3.02Å; Y416-K421 HydrophobicContact CE2-CB 3.97Å
417E97.3Very high94.7Very high132 Ų13268.6 Ų68.662%0.61733%0.334SS*.Hα-helixtrans-62.7-35.2177.9-72.8170.9176.200112.1K413 Q414K413-E417 WeakPolarHBondContact CE-OE1 3.47Å; K413-E417 IonicContact NZ-OE1 2.61Å; K413-E417 WeakPolarHBondContact O-CG 3.36Å; K413-E417 PolarHBondContact O-N 3.16Å; Q414-E417 PolarHBondContact O-N 3.48Å
418E96.4Very high95.1Very high144 Ų14466.8 Ų66.867%0.67333%0.325SS*.Hα-helixtrans-79.8-41.1178.5-69.8174.5-16900113.3Q414 Y416Q414-E418 WeakPolarHBondContact CG-OE1 3.04Å; Q414-E418 PolarHBondContact NE2-OE1 3.24Å; Q414-E418 WeakPolarHBondContact O-CG 3.34Å; Q414-E418 PolarHBondContact O-N 3.38Å; Y416-E418 VanDerWaalsContact C-N 3.28Å; Y416-E418 PolarHBondContact O-N 3.22Å
419G93.5Very high95Very high41 Ų4163 Ų6342%0.42332%0.315SS..Hα-helixtrans-102.6-10.9-172.700000115.5E415E415-G419 PolarHBondContact O-N 3.02Å
420G95.8Very high95.1Very high29 Ų2961.9 Ų61.930%0.29931%0.31SS..  trans62-173.8-168.900000113.3Y416 Q422 C423Y416-G420 WeakPolarHBondContact O-CA 3.39Å; Y416-G420 PolarHBondContact O-N 3.02Å; G420-Q422 PolarHBondContact O-N 3.18Å; G420-C423 PolarHBondContact O-N 3.06Å; G420-C423 VanDerWaalsContact O-N 3.15Å; G420-C423 PolarHBondContact O-SG 3.42Å
421K95.8Very high95.1Very high71 Ų7164.4 Ų64.431%0.30932%0.324SS..THydrogen-bonded Turntrans-56.5-19.7-179.564.1-167.7-179.5-175.90116.1E134 E138 Y416 C423 V424E134-K421 HydrophobicContact CB-CB 4.19Å; E134-K421 HydrophobicContact CB-CD 3.87Å; E134-K421 HydrophobicContact CB-CG 3.84Å; E134-K421 HydrophobicContact CG-CG 4.11Å; E138-K421 HydrophobicContact CB-CB 4.5Å; E138-K421 HydrophobicContact CB-CD 4.18Å; E138-K421 VanDerWaalsContact OE2-CD 3.24Å; E138-K421 WeakPolarHBondContact OE2-CD 3.36Å; E138-K421 IonicContact OE2-NZ 3.46Å; E138-K421 PolarHBondContact OE2-NZ 3.28Å; Y416-K421 HydrophobicContact CE2-CB 3.97Å; K421-C423 PolarHBondContact O-N 3.42Å; K421-V424 VanDerWaalsContact O-CG1 3.29Å; K421-V424 WeakPolarHBondContact O-CG1 3.31Å; K421-V424 PolarHBondContact O-N 2.67Å
422Q95.4Very high95Very high116 Ų11667.9 Ų67.954%0.54234%0.341SS..THydrogen-bonded Turntrans-67.1-16.6178.8-58.5-174.8400113.1G420 V424 E425G420-Q422 PolarHBondContact O-N 3.18Å; Q422-V424 PolarHBondContact O-N 3.43Å; Q422-V424 VanDerWaalsContact O-N 3.15Å; Q422-E425 PolarHBondContact O-N 3.22Å; Q422-E425 VanDerWaalsContact O-N 3.16Å
423C95Very high95Very high5 Ų569.6 Ų69.63%0.03435%0.345CS..Hα-helixtrans-56.2-28.5176.4620000113.1I411 G420 K421 E425 R426 K427I411-C423 HydrophobicContact CG2-CB 4.37Å; I411-C423 WeakPolarHBondContact CG2-SG 3.48Å; G420-C423 PolarHBondContact O-N 3.06Å; G420-C423 VanDerWaalsContact O-N 3.15Å; G420-C423 PolarHBondContact O-SG 3.42Å; K421-C423 PolarHBondContact O-N 3.42Å; C423-E425 VanDerWaalsContact C-N 3.3Å; C423-E425 PolarHBondContact O-N 3.15Å; C423-R426 PolarHBondContact O-N 2.89Å; C423-R426 VanDerWaalsContact O-N 3.15Å; C423-K427 WeakPolarHBondContact O-CB 3.46Å; C423-K427 PolarHBondContact O-N 2.85Å
424V96.5Very high94.9Very high0 Ų069.6 Ų69.60%035%0.348CS..Hα-helixtrans-61.1-35.9178.5750000112.7R133 E134 T137 L151 I411 K421 Q422 R426 C428R133-V424 HydrophobicContact CB-CG1 4.2Å; R133-V424 PolarHBondContact NH2-O 3.35Å; E134-V424 HydrophobicContact CG-CG1 4.33Å; T137-V424 HydrophobicContact CG2-CB 4.46Å; T137-V424 WeakPolarHBondContact OG1-CB 3.33Å; T137-V424 WeakPolarHBondContact OG1-CG2 3.44Å; L151-V424 HydrophobicContact CB-CG2 4.03Å; L151-V424 HydrophobicContact CD2-CG2 4.21Å; I411-V424 HydrophobicContact CD1-CB 4.18Å; I411-V424 HydrophobicContact CD1-CG2 4.31Å; K421-V424 VanDerWaalsContact O-CG1 3.29Å; K421-V424 WeakPolarHBondContact O-CG1 3.31Å; K421-V424 PolarHBondContact O-N 2.67Å; Q422-V424 PolarHBondContact O-N 3.43Å; Q422-V424 VanDerWaalsContact O-N 3.15Å; V424-R426 VanDerWaalsContact C-N 3.29Å; V424-R426 PolarHBondContact O-N 3.49Å; V424-C428 HydrophobicContact CG2-CB 4.02Å; V424-C428 WeakPolarHBondContact O-CA 3.15Å; V424-C428 VanDerWaalsContact O-CB 3.23Å; V424-C428 WeakPolarHBondContact O-CB 3.45Å; V424-C428 PolarHBondContact O-N 2.88Å
425E95.1Very high94.8Very high67 Ų6766.3 Ų66.331%0.31333%0.334SS..Hα-helixtrans-69.5-29.9178.9-62.4-59.1122.300112.2R130 R133 Q422 C423R130-E425 HydrophobicContact CG-CG 3.91Å; R133-E425 WeakPolarHBondContact CD-OE1 3.34Å; R133-E425 IonicContact CZ-OE1 3.58Å; R133-E425 IonicContact NE-OE1 2.9Å; R133-E425 PolarHBondContact NE-OE1 2.77Å; R133-E425 IonicContact NE-OE2 2.68Å; R133-E425 IonicContact NH2-OE1 3.49Å; Q422-E425 PolarHBondContact O-N 3.22Å; Q422-E425 VanDerWaalsContact O-N 3.16Å; C423-E425 VanDerWaalsContact C-N 3.3Å; C423-E425 PolarHBondContact O-N 3.15Å
426R92.2Very high94.7Very high177 Ų17767.1 Ų67.167%0.66834%0.34SS*.Hα-helixtrans-84.6-39.7-179.8-176.1-179.163.8-174.4-1.1112.3C423 V424C423-R426 PolarHBondContact O-N 2.89Å; C423-R426 VanDerWaalsContact O-N 3.15Å; V424-R426 VanDerWaalsContact C-N 3.29Å; V424-R426 PolarHBondContact O-N 3.49Å
427K93.6Very high94.5Very high47 Ų4770.8 Ų70.820%0.20436%0.36CS..Hα-helixtrans-92.7-25.9-172.3-76.4-86-168.3141.90113.5F150 I411 E415 C423 P429F150-K427 WeakPolarHBondContact CE2-O 3.34Å; I411-K427 HydrophobicContact CD1-CB 4.01Å; I411-K427 HydrophobicContact CG1-CB 3.65Å; I411-K427 HydrophobicContact CG1-CG 4.04Å; E415-K427 VanDerWaalsContact OE1-CE 3.31Å; E415-K427 WeakPolarHBondContact OE1-CE 3Å; E415-K427 IonicContact OE1-NZ 3.48Å; E415-K427 PolarHBondContact OE1-NZ 2.88Å; E415-K427 IonicContact OE2-NZ 3.89Å; E415-K427 PolarHBondContact OE2-NZ 3.46Å; C423-K427 WeakPolarHBondContact O-CB 3.46Å; C423-K427 PolarHBondContact O-N 2.85Å; K427-P429 VanDerWaalsContact O-CD 3.25Å; K427-P429 WeakPolarHBondContact O-CD 3.37Å
428C94.3Very high94.2Very high2 Ų265.8 Ų65.81%0.01434%0.339CS..  trans-119.863.8-175.9-60.60000111.3R133 F150 L151 V424R133-C428 PolarHBondContact NH2-O 2.96Å; F150-C428 WeakPolarHBondContact CD2-SG 3.32Å; F150-C428 VanDerWaalsContact CE2-SG 3.6Å; L151-C428 HydrophobicContact CB-CB 4.28Å; L151-C428 PolarHBondContact N-SG 2.8Å; L151-C428 VanDerWaalsContact N-SG 3.38Å; L151-C428 WeakPolarHBondContact O-CB 3.48Å; V424-C428 HydrophobicContact CG2-CB 4.02Å; V424-C428 WeakPolarHBondContact O-CA 3.15Å; V424-C428 VanDerWaalsContact O-CB 3.23Å; V424-C428 WeakPolarHBondContact O-CB 3.45Å; V424-C428 PolarHBondContact O-N 2.88Å
429P86.9Confident94Very high90 Ų9058.6 Ų58.658%0.58431%0.308SS*.  trans-62.70-166.524.7-35.1000116.8K153 Y186 K427K153-P429 PolarHBondContact NZ-O 2.8Å; K153-P429 PolarHBondContact NZ-OXT 2.91Å; Y186-P429 HydrophobicContact CD1-CG 4.18Å; Y186-P429 HydrophobicContact CE1-CB 4.43Å; Y186-P429 HydrophobicContact CE1-CG 3.72Å; K427-P429 VanDerWaalsContact O-CD 3.25Å; K427-P429 WeakPolarHBondContact O-CD 3.37Å

Retrieved 429 of 429 residues in 90 ms (Link to these results)

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