G4M079_SCHMA Loading...

Adenylate kinase 3, putative

AlphaFold DB , UniProt , Accession G4M079, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 230 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.6Very low55.5Low236 Ų236126.2 Ų126.2100%1.16365%0.651SS**  0111.30-90.6170.3162.700108.6
2R37.3Very low58.9Low251 Ų251120.2 Ų120.295%0.94761%0.613SS**  trans-80119.1166.4-79.6-176.1176.6174.5-0.3106.4S4R2-S4 PolarHBondContact O-N 2.79Å
3F40.1Very low61.9Low199 Ų199110.9 Ų110.987%0.87357%0.566SS**  trans-54.9116.8168.7-75.3-87.6000107.5Q5F3-Q5 PolarHBondContact O-N 3.07Å
4S43.2Very low64.5Low106 Ų106103 Ų10374%0.74153%0.526SS*.  trans-55.1109.6159.849.70000106R2 A6R2-S4 PolarHBondContact O-N 2.79Å; S4-A6 PolarHBondContact O-N 3.01Å
5Q44.8Very low66.8Low146 Ų14696.3 Ų96.368%0.68249%0.492SS*.  trans-61.294.3165.4-83.1177.1-32.600106F3 F7F3-Q5 PolarHBondContact O-N 3.07Å; Q5-F7 PolarHBondContact O-N 3.11Å; Q5-F7 VanDerWaalsContact O-N 3.11Å
6A43.9Very low68.8Low70 Ų7090.6 Ų90.658%0.57946%0.463SS*.  trans-67.1108.9167.800000105.3S4 T8S4-A6 PolarHBondContact O-N 3.01Å; A6-T8 HydrophobicContact CB-CG2 3.76Å; A6-T8 PolarHBondContact O-N 2.81Å
7F52.4Low70.4Confident103 Ų10385.6 Ų85.645%0.45244%0.439SS..  trans-67.178.3168.8-66.2-74.6000107.6Q5 Q217 F218Q5-F7 PolarHBondContact O-N 3.11Å; Q5-F7 VanDerWaalsContact O-N 3.11Å; F7-Q217 VanDerWaalsContact CE1-O 3.31Å; F7-Q217 WeakPolarHBondContact CE1-O 3.42Å; F7-F218 WeakPolarHBondContact CD1-O 3.44Å; F7-F218 WeakPolarHBondContact CE1-O 3.31Å
8T52.7Low71.8Confident132 Ų13281 Ų8181%0.8142%0.415SS*.  trans-81.8-14.8-173.1480000113.3A6A6-T8 HydrophobicContact CB-CG2 3.76Å; A6-T8 PolarHBondContact O-N 2.81Å
9S74.5Confident72.9Confident79 Ų7977.6 Ų77.655%0.55240%0.399SS*.SBendtrans-126.1136.417662.40000111.2V11S9-V11 PolarHBondContact O-N 3.41Å
10N89.4Confident73.8Confident57 Ų5774.2 Ų74.231%0.30538%0.384SS..  trans-54.8132.4173.2-68.7-22.9000111.3T86 G87 D88N10-T86 PolarHBondContact ND2-O 2.83Å; N10-G87 WeakPolarHBondContact ND2-CA 2.89Å; N10-G87 PolarHBondContact ND2-O 2.93Å; N10-D88 WeakPolarHBondContact CB-O 3.48Å; N10-D88 PolarHBondContact ND2-N 3.49Å
11V95.5Very high74.8Confident9 Ų970.6 Ų70.66%0.05537%0.365CS..  trans-72.4130.9177.5173.70000109.3S9 A13 N89 L90 F215 F218 V219S9-V11 PolarHBondContact O-N 3.41Å; V11-A13 HydrophobicContact CG1-CB 4.22Å; V11-N89 HydrophobicContact CB-CB 4.27Å; V11-N89 PolarHBondContact N-OD1 3.01Å; V11-N89 CarbonylContact O-C 3.59Å; V11-N89 VanDerWaalsContact O-CA 3.23Å; V11-N89 WeakPolarHBondContact O-CA 3.27Å; V11-L90 PolarHBondContact O-N 2.73Å; V11-F215 HydrophobicContact CG1-CE2 4.37Å; V11-F215 HydrophobicContact CG1-CZ 4.49Å; V11-F218 HydrophobicContact CG1-CB 4.22Å; V11-F218 HydrophobicContact CG2-CB 3.96Å; V11-F218 WeakPolarHBondContact CG2-O 3.32Å; V11-V219 HydrophobicContact CB-CG2 3.83Å; V11-V219 HydrophobicContact CG1-CG2 4.13Å; V11-V219 HydrophobicContact CG2-CG2 3.66Å
12R96.4Very high77.5Confident54 Ų5460.1 Ų60.120%0.20432%0.318CS..EExtended strand (participates in β ladder)trans-114.3107.8165.1-70.7179.1-66.8-81-7.6107.8L90 P110 I111 T112 C113R12-L90 HydrophobicContact CG-CB 4.36Å; R12-L90 HydrophobicContact CG-CD1 4.23Å; R12-L90 HydrophobicContact CG-CG 4.35Å; R12-P110 VanDerWaalsContact CZ-O 3.27Å; R12-P110 PolarHBondContact NE-O 3.1Å; R12-P110 PolarHBondContact NH2-O 2.93Å; R12-I111 HydrophobicContact CB-CD1 4.17Å; R12-I111 WeakPolarHBondContact O-CG2 3.48Å; R12-T112 PolarHBondContact N-OG1 2.93Å; R12-T112 PolarHBondContact O-N 2.82Å; R12-T112 PolarHBondContact O-OG1 3.34Å; R12-C113 PolarHBondContact O-N 2.97Å
13A98.3Very high80.2Confident0 Ų049.5 Ų49.50%028%0.278CS..EExtended strand (participates in β ladder)trans-105.8142.1-179.300000110.7V11 L90 L91 I92 C113 F215V11-A13 HydrophobicContact CG1-CB 4.22Å; A13-L90 PolarHBondContact N-O 3.36Å; A13-L91 HydrophobicContact CB-CD1 3.99Å; A13-L91 WeakPolarHBondContact O-CA 3.43Å; A13-I92 PolarHBondContact O-N 3.39Å; A13-C113 CarbonylContact C-O 3.59Å; A13-C113 WeakPolarHBondContact CA-O 3.27Å; A13-C113 HydrophobicContact CB-CB 4.33Å; A13-F215 HydrophobicContact CB-CE2 3.77Å; A13-F215 HydrophobicContact CB-CZ 4.44Å
14V98.6Very high82.8Confident0 Ų041 Ų410%024%0.244CC..EExtended strand (participates in β ladder)trans-112.1140.3168.1170.10000108.2I16 I92 I111 C113 V114 L115V14-I16 HydrophobicContact CG1-CD1 4.14Å; V14-I16 HydrophobicContact CG1-CG1 3.67Å; V14-I92 CarbonylContact C-O 3.58Å; V14-I92 WeakPolarHBondContact CA-O 3.27Å; V14-I92 HydrophobicContact CG2-CB 4.3Å; V14-I111 HydrophobicContact CB-CG2 4.31Å; V14-I111 HydrophobicContact CG2-CD1 3.72Å; V14-I111 HydrophobicContact CG2-CG1 3.86Å; V14-I111 HydrophobicContact CG2-CG2 3.83Å; V14-C113 PolarHBondContact N-O 3.31Å; V14-V114 HydrophobicContact CB-CG1 4.49Å; V14-V114 HydrophobicContact CB-CG2 4.31Å; V14-V114 CarbonylContact O-C 3.56Å; V14-V114 WeakPolarHBondContact O-CA 3.43Å; V14-L115 PolarHBondContact O-N 3.16Å
15I98.7Very high85.2Confident3 Ų337.4 Ų37.42%0.01522%0.218CC..EExtended strand (participates in β ladder)trans-110.2122.5168.1-171.3169.7000111.2K23 I26 L91 I92 D93 L115 L117I15-K23 HydrophobicContact CD1-CB 4.15Å; I15-K23 HydrophobicContact CD1-CG 4.15Å; I15-K23 HydrophobicContact CG1-CB 4.38Å; I15-K23 HydrophobicContact CG1-CD 4.23Å; I15-K23 HydrophobicContact CG1-CG 3.99Å; I15-I26 HydrophobicContact CD1-CB 4.29Å; I15-I26 HydrophobicContact CD1-CG2 3.99Å; I15-L91 HydrophobicContact CB-CD1 4.14Å; I15-L91 HydrophobicContact CG2-CD1 4.16Å; I15-I92 PolarHBondContact N-O 3.06Å; I15-D93 HydrophobicContact CG2-CB 3.49Å; I15-D93 VanDerWaalsContact CG2-CB 3.49Å; I15-L115 CarbonylContact C-O 3.53Å; I15-L115 VanDerWaalsContact CA-O 3.29Å; I15-L115 WeakPolarHBondContact CA-O 3.44Å; I15-L115 HydrophobicContact CG1-CB 4.31Å; I15-L117 HydrophobicContact CD1-CD1 4.14Å; I15-L117 HydrophobicContact CD1-CG 4.25Å; I15-L117 HydrophobicContact CG1-CG 4.47Å
16I98.2Very high87.6Confident5 Ų530.4 Ų30.43%0.02619%0.186CC..EExtended strand (participates in β ladder)trans-114.6152-178.9-56.7-174.1000109.2V14 V114 L115 C116 L117 Y179 T183 L186 L187 Y190V14-I16 HydrophobicContact CG1-CD1 4.14Å; V14-I16 HydrophobicContact CG1-CG1 3.67Å; I16-V114 HydrophobicContact CD1-CG1 3.64Å; I16-V114 HydrophobicContact CG1-CG1 3.91Å; I16-L115 PolarHBondContact N-O 3.18Å; I16-C116 CarbonylContact O-C 3.56Å; I16-C116 WeakPolarHBondContact O-CA 3.3Å; I16-L117 PolarHBondContact O-N 3.46Å; I16-Y179 HydrophobicContact CG2-CE2 4.16Å; I16-T183 HydrophobicContact CG2-CG2 3.89Å; I16-L186 HydrophobicContact CD1-CB 4.2Å; I16-L186 HydrophobicContact CD1-CD1 4.35Å; I16-L187 HydrophobicContact CG2-CD2 4.17Å; I16-Y190 HydrophobicContact CD1-CD2 4.09Å; I16-Y190 HydrophobicContact CD1-CE2 4.02Å
17G96.7Very high90.2Very high6 Ų627.1 Ų27.16%0.06216%0.158CC..  trans159.4157.617600000109.4K23 L117G17-K23 PolarHBondContact O-NZ 3.11Å; G17-L117 WeakPolarHBondContact CA-O 3.5Å
18P94.9Very high92.2Very high2 Ų224 Ų241%0.01315%0.146CC..  trans-61.5158.2-177.826.1-33.9000111.5G20 S21 K23 L117 I124 L176 Y179P18-G20 PolarHBondContact O-N 3.42Å; P18-S21 VanDerWaalsContact O-CB 3.3Å; P18-S21 WeakPolarHBondContact O-CB 3.35Å; P18-S21 PolarHBondContact O-N 2.73Å; P18-S21 VanDerWaalsContact O-N 3.14Å; P18-S21 PolarHBondContact O-OG 3.42Å; P18-K23 PolarHBondContact O-NZ 3.25Å; P18-L117 WeakPolarHBondContact CD-O 3.47Å; P18-I124 HydrophobicContact CB-CD1 3.57Å; P18-I124 HydrophobicContact CG-CD1 3.29Å; P18-L176 HydrophobicContact CB-CD2 3.99Å; P18-Y179 HydrophobicContact CB-CD1 3.73Å; P18-Y179 HydrophobicContact CB-CD2 4.36Å; P18-Y179 HydrophobicContact CB-CE1 3.76Å; P18-Y179 HydrophobicContact CB-CE2 4.41Å; P18-Y179 HydrophobicContact CB-CG 4.04Å; P18-Y179 HydrophobicContact CG-CE1 4.24Å
19P92.6Very high94.3Very high17 Ų1718.7 Ų18.711%0.1111%0.111CC..THydrogen-bonded Turntrans-46.3138.3167.9-24.931.9000110.2S21 I124 I128 R175 L176P19-S21 VanDerWaalsContact C-N 3.28Å; P19-S21 PolarHBondContact O-N 2.95Å; P19-I124 WeakPolarHBondContact O-CG2 3.33Å; P19-I128 HydrophobicContact CB-CD1 4.05Å; P19-R175 HydrophobicContact CB-CB 4.4Å; P19-R175 HydrophobicContact CG-CB 3.72Å; P19-L176 HydrophobicContact CG-CD2 4.34Å
20G91.9Very high95.4Very high8 Ų814.9 Ų14.98%0.0829%0.085CC..THydrogen-bonded Turntrans77.8-1.8179.700000117.2P18 G22 R131P18-G20 PolarHBondContact O-N 3.42Å; G20-G22 PolarHBondContact O-N 3.45Å; G20-G22 VanDerWaalsContact O-N 3.09Å; G20-R131 VanDerWaalsContact CA-NH2 3.31Å
21S93.9Very high95.8Very high0 Ų016.1 Ų16.10%09%0.089CC..SBendtrans-69.1-1.7175.367.10000115.5P18 P19 K23P18-S21 VanDerWaalsContact O-CB 3.3Å; P18-S21 WeakPolarHBondContact O-CB 3.35Å; P18-S21 PolarHBondContact O-N 2.73Å; P18-S21 VanDerWaalsContact O-N 3.14Å; P18-S21 PolarHBondContact O-OG 3.42Å; P19-S21 VanDerWaalsContact C-N 3.28Å; P19-S21 PolarHBondContact O-N 2.95Å; S21-K23 WeakPolarHBondContact OG-CG 2.97Å; S21-K23 PolarHBondContact OG-NZ 2.87Å
22G93Very high95.8Very high16 Ų1620.8 Ų20.817%0.16511%0.108CC..SBendtrans84.715.4-179.500000115.2G20 A24 T25 I26G20-G22 PolarHBondContact O-N 3.45Å; G20-G22 VanDerWaalsContact O-N 3.09Å; G22-A24 PolarHBondContact O-N 3.01Å; G22-T25 WeakPolarHBondContact O-CB 3.43Å; G22-T25 PolarHBondContact O-N 3.11Å; G22-T25 VanDerWaalsContact O-N 3.1Å; G22-I26 PolarHBondContact O-N 2.93Å
23K95.5Very high95.9Very high28 Ų2818.2 Ų18.212%0.12210%0.099CC..Hα-helixtrans-47.6-56.7175.8-68.4-175.5-61.7-630112.8I15 G17 P18 S21 T25 I26 S27 D93 L117I15-K23 HydrophobicContact CD1-CB 4.15Å; I15-K23 HydrophobicContact CD1-CG 4.15Å; I15-K23 HydrophobicContact CG1-CB 4.38Å; I15-K23 HydrophobicContact CG1-CD 4.23Å; I15-K23 HydrophobicContact CG1-CG 3.99Å; G17-K23 PolarHBondContact O-NZ 3.11Å; P18-K23 PolarHBondContact O-NZ 3.25Å; S21-K23 WeakPolarHBondContact OG-CG 2.97Å; S21-K23 PolarHBondContact OG-NZ 2.87Å; K23-T25 PolarHBondContact O-N 2.9Å; K23-T25 VanDerWaalsContact O-N 3.17Å; K23-I26 CarbonylContact O-C 3.55Å; K23-I26 PolarHBondContact O-N 2.86Å; K23-S27 WeakPolarHBondContact O-CB 3.35Å; K23-S27 PolarHBondContact O-N 2.84Å; K23-S27 PolarHBondContact O-OG 2.9Å; K23-D93 WeakPolarHBondContact CE-OD1 3.13Å; K23-L117 HydrophobicContact CG-CD1 4Å
24A93.4Very high95.9Very high19 Ų1918.3 Ų18.316%0.15710%0.099CC..Hα-helixtrans-53.4-41.4-179.700000112.5G22 S27 L28 T140G22-A24 PolarHBondContact O-N 3.01Å; A24-S27 PolarHBondContact O-N 3.32Å; A24-L28 VanDerWaalsContact O-CG 3.27Å; A24-L28 WeakPolarHBondContact O-CG 3.41Å; A24-L28 PolarHBondContact O-N 2.93Å; A24-T140 HydrophobicContact CB-CG2 4.45Å
25T93.5Very high95.8Very high31 Ų3121 Ų2119%0.1912%0.122CC..Hα-helixtrans-63.2-49.7175.8-50.30000111.5G22 K23 S27 L28 R29 T204G22-T25 WeakPolarHBondContact O-CB 3.43Å; G22-T25 PolarHBondContact O-N 3.11Å; G22-T25 VanDerWaalsContact O-N 3.1Å; K23-T25 PolarHBondContact O-N 2.9Å; K23-T25 VanDerWaalsContact O-N 3.17Å; T25-S27 VanDerWaalsContact C-N 3.34Å; T25-S27 PolarHBondContact O-N 2.98Å; T25-L28 PolarHBondContact O-N 2.84Å; T25-R29 WeakPolarHBondContact O-CG 3.44Å; T25-R29 PolarHBondContact O-N 2.88Å; T25-R29 VanDerWaalsContact O-N 3.14Å; T25-T204 HydrophobicContact CG2-CG2 4.18Å
26I96.7Very high95.7Very high0 Ų021.5 Ų21.50%012%0.124CC..Hα-helixtrans-63.5-39.8177.5-66.3-63.6000111.3I15 G22 K23 L28 R29 L30 L117 T204 L207 W208 V211I15-I26 HydrophobicContact CD1-CB 4.29Å; I15-I26 HydrophobicContact CD1-CG2 3.99Å; G22-I26 PolarHBondContact O-N 2.93Å; K23-I26 CarbonylContact O-C 3.55Å; K23-I26 PolarHBondContact O-N 2.86Å; I26-L28 PolarHBondContact O-N 2.77Å; I26-R29 WeakPolarHBondContact O-CB 3.27Å; I26-R29 PolarHBondContact O-N 2.91Å; I26-L30 HydrophobicContact CG2-CD1 4.19Å; I26-L30 HydrophobicContact CG2-CG 4.42Å; I26-L30 WeakPolarHBondContact O-CG 3.46Å; I26-L30 PolarHBondContact O-N 3.35Å; I26-L117 HydrophobicContact CB-CD1 4.23Å; I26-L117 HydrophobicContact CG1-CD1 3.85Å; I26-T204 HydrophobicContact CD1-CG2 4.41Å; I26-T204 HydrophobicContact CG1-CG2 4.23Å; I26-L207 HydrophobicContact CD1-CB 4.38Å; I26-W208 HydrophobicContact CD1-CB 4.13Å; I26-W208 HydrophobicContact CD1-CE3 4.31Å; I26-V211 HydrophobicContact CG2-CB 4.39Å; I26-V211 HydrophobicContact CG2-CG1 3.81Å; I26-V211 HydrophobicContact CG2-CG2 4.3Å
27S97.5Very high95.6Very high0 Ų025.3 Ų25.30%014%0.14CC..Hα-helixtrans-61.9-42.4178.3-59.60000112.4K23 A24 T25 R29 L30 Q31 D93K23-S27 WeakPolarHBondContact O-CB 3.35Å; K23-S27 PolarHBondContact O-N 2.84Å; K23-S27 PolarHBondContact O-OG 2.9Å; A24-S27 PolarHBondContact O-N 3.32Å; T25-S27 VanDerWaalsContact C-N 3.34Å; T25-S27 PolarHBondContact O-N 2.98Å; S27-R29 VanDerWaalsContact C-N 3.33Å; S27-L30 WeakPolarHBondContact O-CB 3.32Å; S27-L30 PolarHBondContact O-N 3Å; S27-Q31 WeakPolarHBondContact O-CB 3.28Å; S27-Q31 PolarHBondContact O-N 2.78Å; S27-D93 PolarHBondContact OG-OD2 3.23Å
28L94.9Very high95.6Very high38 Ų3826.9 Ų26.920%0.19915%0.145CC..Hα-helixtrans-68.3-32.7175.4-69.9171.1000112.2A24 T25 I26 Q31 K32 Y38 R139A24-L28 VanDerWaalsContact O-CG 3.27Å; A24-L28 WeakPolarHBondContact O-CG 3.41Å; A24-L28 PolarHBondContact O-N 2.93Å; T25-L28 PolarHBondContact O-N 2.84Å; I26-L28 PolarHBondContact O-N 2.77Å; L28-Q31 PolarHBondContact O-N 2.98Å; L28-K32 WeakPolarHBondContact O-CB 3.28Å; L28-K32 PolarHBondContact O-N 3.07Å; L28-Y38 HydrophobicContact CD2-CD1 4.32Å; L28-Y38 HydrophobicContact CD2-CE1 4.4Å; L28-R139 HydrophobicContact CD1-CB 4.36Å; L28-R139 HydrophobicContact CD1-CG 3.6Å
29R96.5Very high95.7Very high20 Ų2027 Ų278%0.07515%0.145CC..Hα-helixtrans-66.5-43.4171.4-65.3177.2-176.5-175.6-0.3111.4T25 I26 S27 K32 D33 T204 N205 W208 Y227T25-R29 WeakPolarHBondContact O-CG 3.44Å; T25-R29 PolarHBondContact O-N 2.88Å; T25-R29 VanDerWaalsContact O-N 3.14Å; I26-R29 WeakPolarHBondContact O-CB 3.27Å; I26-R29 PolarHBondContact O-N 2.91Å; S27-R29 VanDerWaalsContact C-N 3.33Å; R29-K32 WeakPolarHBondContact O-CB 3.42Å; R29-K32 PolarHBondContact O-N 2.98Å; R29-D33 WeakPolarHBondContact O-CB 3.41Å; R29-D33 PolarHBondContact O-N 3.22Å; R29-T204 PolarHBondContact NH1-O 3.28Å; R29-T204 VanDerWaalsContact NH1-O 3.11Å; R29-N205 VanDerWaalsContact CZ-OD1 3.31Å; R29-N205 PolarHBondContact NH1-OD1 2.93Å; R29-N205 PolarHBondContact NH2-OD1 3.38Å; R29-W208 HydrophobicContact CB-CD2 4.17Å; R29-W208 HydrophobicContact CB-CE3 3.7Å; R29-W208 HydrophobicContact CB-CH2 3.64Å; R29-W208 HydrophobicContact CB-CZ2 4.12Å; R29-W208 HydrophobicContact CB-CZ3 3.42Å; R29-W208 VanDerWaalsContact CB-CZ3 3.42Å; R29-W208 HydrophobicContact CG-CE3 4.45Å; R29-Y227 HydrophobicContact CB-CE2 4.5Å; R29-Y227 VanDerWaalsContact CD-CE2 3.45Å; R29-Y227 HydrophobicContact CG-CE2 3.8Å
30L98.3Very high95.8Very high0 Ų027.1 Ų27.10%015%0.146CC..Hα-helixtrans-60.1-45.3173.9-74.4173.4000111.3I26 S27 K32 D33 F34 L36 L91 L115 W208 V211 F215I26-L30 HydrophobicContact CG2-CD1 4.19Å; I26-L30 HydrophobicContact CG2-CG 4.42Å; I26-L30 WeakPolarHBondContact O-CG 3.46Å; I26-L30 PolarHBondContact O-N 3.35Å; S27-L30 WeakPolarHBondContact O-CB 3.32Å; S27-L30 PolarHBondContact O-N 3Å; L30-K32 VanDerWaalsContact C-N 3.29Å; L30-K32 PolarHBondContact O-N 2.79Å; L30-D33 PolarHBondContact O-N 3.34Å; L30-F34 HydrophobicContact CD2-CD2 3.81Å; L30-F34 HydrophobicContact CD2-CE2 3.69Å; L30-F34 WeakPolarHBondContact O-CB 3.41Å; L30-F34 WeakPolarHBondContact O-CD2 3.35Å; L30-F34 PolarHBondContact O-N 3.23Å; L30-L36 HydrophobicContact CB-CD2 4.16Å; L30-L91 HydrophobicContact CB-CD2 3.99Å; L30-L91 HydrophobicContact CD1-CD1 4.28Å; L30-L91 HydrophobicContact CD1-CD2 3.71Å; L30-L115 HydrophobicContact CD1-CD1 3.71Å; L30-W208 HydrophobicContact CD2-CH2 4.38Å; L30-W208 HydrophobicContact CD2-CZ3 3.97Å; L30-W208 HydrophobicContact CG-CZ3 4.09Å; L30-V211 HydrophobicContact CD1-CG1 4.16Å; L30-V211 HydrophobicContact CD2-CG1 4.07Å; L30-V211 HydrophobicContact CG-CG1 4.34Å; L30-F215 HydrophobicContact CD2-CB 3.95Å; L30-F215 HydrophobicContact CD2-CD1 3.6Å; L30-F215 HydrophobicContact CD2-CE1 4.23Å; L30-F215 HydrophobicContact CD2-CG 3.78Å
31Q96.6Very high96.1Very high82 Ų8226.9 Ų26.938%0.38314%0.143SC..Hα-helixtrans-63.2-34.7176.3-173.7-178.934.300112.8S27 L28 L36S27-Q31 WeakPolarHBondContact O-CB 3.28Å; S27-Q31 PolarHBondContact O-N 2.78Å; L28-Q31 PolarHBondContact O-N 2.98Å; Q31-L36 HydrophobicContact CB-CD1 3.98Å; Q31-L36 HydrophobicContact CG-CD1 4.29Å
32K96Very high96.1Very high108 Ų10827.4 Ų27.447%0.4715%0.149SC..Hα-helixtrans-69.7-41.3177.4-172.2-166.6177.2-160.40112L28 R29 L30 T225L28-K32 WeakPolarHBondContact O-CB 3.28Å; L28-K32 PolarHBondContact O-N 3.07Å; R29-K32 WeakPolarHBondContact O-CB 3.42Å; R29-K32 PolarHBondContact O-N 2.98Å; L30-K32 VanDerWaalsContact C-N 3.29Å; L30-K32 PolarHBondContact O-N 2.79Å; K32-T225 WeakPolarHBondContact CE-OG1 3.48Å; K32-T225 VanDerWaalsContact NZ-CG2 3.32Å; K32-T225 PolarHBondContact NZ-OG1 2.94Å
33D98.3Very high96.1Very high0 Ų027.4 Ų27.40%015%0.145CC..Hα-helixtrans-102.1-7.4-167.4-71.22.4000113.8R29 L30 W208 F212 I222 Q223 T225R29-D33 WeakPolarHBondContact O-CB 3.41Å; R29-D33 PolarHBondContact O-N 3.22Å; L30-D33 PolarHBondContact O-N 3.34Å; D33-W208 HydrophobicContact CB-CH2 4.24Å; D33-W208 HydrophobicContact CB-CZ2 4.29Å; D33-W208 VanDerWaalsContact OD2-CZ2 3.24Å; D33-W208 WeakPolarHBondContact OD2-CZ2 3.27Å; D33-F212 HydrophobicContact CB-CE2 4.2Å; D33-I222 PolarHBondContact O-N 3.47Å; D33-Q223 HydrophobicContact CB-CG 4.25Å; D33-Q223 VanDerWaalsContact OD1-CG 3.28Å; D33-Q223 WeakPolarHBondContact OD1-CG 3.43Å; D33-Q223 PolarHBondContact OD1-NE2 3.31Å; D33-T225 PolarHBondContact OD1-OG1 2.81Å; D33-T225 WeakPolarHBondContact OD2-CB 3.47Å; D33-T225 PolarHBondContact OD2-N 3.22Å; D33-T225 PolarHBondContact OD2-OG1 3.22Å
34F98Very high96.1Very high1 Ų127.6 Ų27.60%0.00415%0.147CC..BIsolated β-bridgetrans-133.5149.5177.3-59.9-93.1000111.8L30 L36 W208 F212 F215 V219 P221L30-F34 HydrophobicContact CD2-CD2 3.81Å; L30-F34 HydrophobicContact CD2-CE2 3.69Å; L30-F34 WeakPolarHBondContact O-CB 3.41Å; L30-F34 WeakPolarHBondContact O-CD2 3.35Å; L30-F34 PolarHBondContact O-N 3.23Å; F34-L36 HydrophobicContact CB-CD2 4Å; F34-L36 PolarHBondContact O-N 2.85Å; F34-W208 HydrophobicContact CE2-CH2 4.32Å; F34-F212 HydrophobicContact CE1-CE2 4.38Å; F34-F212 AromaticContact CE2-CD2 3.46Å; F34-F212 HydrophobicContact CE2-CD2 3.46Å; F34-F212 VanDerWaalsContact CE2-CD2 3.46Å; F34-F212 AromaticContact CE2-CE2 3.65Å; F34-F212 HydrophobicContact CE2-CE2 3.65Å; F34-F212 HydrophobicContact CE2-CG 4.41Å; F34-F212 AromaticContact CZ-CD2 3.47Å; F34-F212 HydrophobicContact CZ-CD2 3.47Å; F34-F212 VanDerWaalsContact CZ-CD2 3.47Å; F34-F212 AromaticContact CZ-CE2 3.46Å; F34-F212 HydrophobicContact CZ-CE2 3.46Å; F34-F212 VanDerWaalsContact CZ-CE2 3.46Å; F34-F212 HydrophobicContact CZ-CG 4.18Å; F34-F212 HydrophobicContact CZ-CZ 4.16Å; F34-F215 HydrophobicContact CB-CD1 4.39Å; F34-F215 HydrophobicContact CB-CE1 4Å; F34-F215 AromaticContact CD1-CD1 3.7Å; F34-F215 HydrophobicContact CD1-CD1 3.7Å; F34-F215 HydrophobicContact CD1-CE1 4.02Å; F34-F215 AromaticContact CD2-CD1 3.73Å; F34-F215 HydrophobicContact CD2-CD1 3.73Å; F34-F215 HydrophobicContact CD2-CE1 4.13Å; F34-F215 AromaticContact CE1-CD1 3.81Å; F34-F215 HydrophobicContact CE1-CD1 3.81Å; F34-F215 AromaticContact CE2-CD1 3.82Å; F34-F215 HydrophobicContact CE2-CD1 3.82Å; F34-F215 AromaticContact CG-CD1 3.67Å; F34-F215 HydrophobicContact CG-CD1 3.67Å; F34-F215 AromaticContact CG-CE1 3.78Å; F34-F215 HydrophobicContact CG-CE1 3.78Å; F34-F215 HydrophobicContact CZ-CB 4.29Å; F34-F215 AromaticContact CZ-CD1 3.86Å; F34-F215 HydrophobicContact CZ-CD1 3.86Å; F34-V219 HydrophobicContact CB-CG1 4.12Å; F34-V219 HydrophobicContact CD1-CB 3.93Å; F34-V219 HydrophobicContact CD1-CG1 4.05Å; F34-V219 WeakPolarHBondContact CD1-O 3.36Å; F34-V219 VanDerWaalsContact CE1-O 3.27Å; F34-V219 WeakPolarHBondContact CE1-O 3.37Å; F34-P221 HydrophobicContact CD1-CB 4.13Å; F34-P221 HydrophobicContact CE1-CB 3.67Å; F34-P221 HydrophobicContact CE1-CG 4.39Å; F34-P221 HydrophobicContact CZ-CB 4.15Å
35A96.2Very high96.2Very high58 Ų5827.3 Ų27.348%0.47914%0.143SC..SBendtrans-74.991.2174.200000110.3N89 I222A35-N89 WeakPolarHBondContact O-CB 3.31Å; A35-N89 PolarHBondContact O-ND2 3.27Å; A35-I222 HydrophobicContact CB-CD1 4Å; A35-I222 HydrophobicContact CB-CG1 4.48Å
36L96.6Very high96.2Very high13 Ų1327.2 Ų27.27%0.06814%0.139CC..  trans-148.5159.7178.265.383.5000113.2L30 Q31 F34 N89 L91 F215L30-L36 HydrophobicContact CB-CD2 4.16Å; Q31-L36 HydrophobicContact CB-CD1 3.98Å; Q31-L36 HydrophobicContact CG-CD1 4.29Å; F34-L36 HydrophobicContact CB-CD2 4Å; F34-L36 PolarHBondContact O-N 2.85Å; L36-N89 CarbonylContact C-O 3.48Å; L36-N89 VanDerWaalsContact CA-O 3.22Å; L36-N89 WeakPolarHBondContact CA-O 3.2Å; L36-N89 HydrophobicContact CB-CB 3.93Å; L36-N89 WeakPolarHBondContact CB-O 3.36Å; L36-L91 HydrophobicContact CD1-CB 3.78Å; L36-L91 HydrophobicContact CD1-CD2 4.5Å; L36-L91 HydrophobicContact CD2-CB 4.32Å; L36-F215 HydrophobicContact CD2-CE1 3.63Å; L36-F215 HydrophobicContact CD2-CZ 3.78Å
37K96.5Very high96Very high84 Ų8429.9 Ų29.937%0.36515%0.153SC..EExtended strand (participates in β ladder)trans-95.8131.2167.2-58.8-67.2-178.9179.50109.4Y85 D88 N89 L90 L91K37-Y85 HydrophobicContact CB-CD1 4.25Å; K37-Y85 HydrophobicContact CB-CG 4.31Å; K37-Y85 HydrophobicContact CD-CD1 3.95Å; K37-Y85 HydrophobicContact CD-CE1 4.1Å; K37-Y85 HydrophobicContact CG-CD1 3.67Å; K37-Y85 HydrophobicContact CG-CE1 4.25Å; K37-Y85 HydrophobicContact CG-CG 4.1Å; K37-D88 HydrophobicContact CB-CB 4.47Å; K37-D88 WeakPolarHBondContact CE-OD1 3.29Å; K37-D88 WeakPolarHBondContact CE-OD2 3.34Å; K37-D88 HydrophobicContact CG-CB 3.57Å; K37-N89 PolarHBondContact N-O 3.19Å; K37-L90 HydrophobicContact CB-CD2 3.86Å; K37-L90 HydrophobicContact CG-CD2 4.4Å; K37-L90 WeakPolarHBondContact O-CA 3.23Å; K37-L91 PolarHBondContact O-N 3.14Å
38Y96.2Very high95.9Very high39 Ų3932.3 Ų32.315%0.15316%0.164CC..EExtended strand (participates in β ladder)trans-100.2124177.3173-128.8000109.8L28 C40 L91 D93L28-Y38 HydrophobicContact CD2-CD1 4.32Å; L28-Y38 HydrophobicContact CD2-CE1 4.4Å; Y38-C40 HydrophobicContact CE1-CB 4.02Å; Y38-C40 HydrophobicContact CE2-CB 4.26Å; Y38-L91 HydrophobicContact CD2-CB 4.43Å; Y38-L91 HydrophobicContact CD2-CD2 4.07Å; Y38-L91 HydrophobicContact CD2-CG 4.2Å; Y38-D93 HydrophobicContact CE2-CB 3.49Å; Y38-D93 VanDerWaalsContact CE2-CB 3.49Å; Y38-D93 PolarHBondContact OH-OD2 3.33Å
39I96.8Very high95.9Very high5 Ų532.5 Ų32.53%0.02617%0.167CC..EExtended strand (participates in β ladder)trans-121.1117.1178.1-55.9171.2000107.9M44 M78 E81 C82 Y85 L90 L91 I92 D93I39-M44 HydrophobicContact CG2-SD 3.68Å; I39-M78 HydrophobicContact CG2-CE 3.63Å; I39-E81 HydrophobicContact CD1-CG 4.15Å; I39-E81 HydrophobicContact CG1-CG 4.43Å; I39-E81 HydrophobicContact CG2-CG 3.81Å; I39-C82 HydrophobicContact CD1-CB 4.43Å; I39-Y85 HydrophobicContact CD1-CD2 3.87Å; I39-Y85 HydrophobicContact CD1-CE2 4.16Å; I39-Y85 HydrophobicContact CG1-CE2 4.42Å; I39-L90 HydrophobicContact CD1-CD2 4.49Å; I39-L91 PolarHBondContact N-O 2.88Å; I39-I92 WeakPolarHBondContact O-CA 3.36Å; I39-D93 PolarHBondContact O-N 3.32Å
40C96.6Very high95.7Very high19 Ų1935.6 Ų35.613%0.12819%0.188CC..EExtended strand (participates in β ladder)trans-111105.9178.2-177.40000110.5Y38 G42 D43 M44Y38-C40 HydrophobicContact CE1-CB 4.02Å; Y38-C40 HydrophobicContact CE2-CB 4.26Å; C40-G42 VanDerWaalsContact C-N 3.27Å; C40-G42 PolarHBondContact O-N 3.01Å; C40-D43 HydrophobicContact CB-CB 4.06Å; C40-D43 PolarHBondContact O-N 2.75Å; C40-D43 PolarHBondContact SG-OD2 2.85Å; C40-M44 WeakPolarHBondContact O-CG 3.38Å; C40-M44 PolarHBondContact O-N 3.24Å
41C97Very high95.5Very high4 Ų441.7 Ų41.73%0.02722%0.22CC..Hα-helixtrans-56.3-42.3-179.21770000112.2D43 M44 L45 V74 M78 D93 F95C41-D43 PolarHBondContact O-N 3.33Å; C41-M44 PolarHBondContact O-N 3.18Å; C41-L45 VanDerWaalsContact O-CG 3.27Å; C41-L45 WeakPolarHBondContact O-CG 3.22Å; C41-L45 PolarHBondContact O-N 3.23Å; C41-V74 WeakPolarHBondContact SG-CG2 3.48Å; C41-M78 HydrophobicContact CB-CE 4.01Å; C41-M78 HydrophobicContact CB-CG 4.31Å; C41-M78 HydrophobicContact CB-SD 3.46Å; C41-M78 WeakPolarHBondContact CB-SD 3.28Å; C41-D93 PolarHBondContact N-O 2.68Å; C41-F95 HydrophobicContact CB-CB 3.84Å
42G94.3Very high95.5Very high11 Ų1145.9 Ų45.911%0.11324%0.236CC..Hα-helixtrans-65.4-37.3-178.900000113.4C40 R46C40-G42 VanDerWaalsContact C-N 3.27Å; C40-G42 PolarHBondContact O-N 3.01Å; G42-R46 WeakPolarHBondContact O-CG 3.34Å; G42-R46 PolarHBondContact O-N 2.86Å; G42-R46 VanDerWaalsContact O-N 3.09Å
43D93.6Very high95.5Very high16 Ų1642.8 Ų42.89%0.08623%0.227CC..Hα-helixtrans-76.5-37.7179.3-63.2-23.9000110.7C40 C41 L45 R46 N47 R164C40-D43 HydrophobicContact CB-CB 4.06Å; C40-D43 PolarHBondContact O-N 2.75Å; C40-D43 PolarHBondContact SG-OD2 2.85Å; C41-D43 PolarHBondContact O-N 3.33Å; D43-L45 PolarHBondContact O-N 3.31Å; D43-R46 PolarHBondContact O-N 2.79Å; D43-R46 IonicContact OD1-NH1 3.47Å; D43-N47 WeakPolarHBondContact O-CB 3.23Å; D43-N47 PolarHBondContact O-N 2.92Å; D43-R164 IonicContact OD1-CZ 3.92Å; D43-R164 IonicContact OD1-NH2 3.91Å; D43-R164 PolarHBondContact OD1-NH2 3.19Å
44M94.7Very high95.4Very high31 Ų3148.9 Ų48.915%0.15326%0.259CS..Hα-helixtrans-56.8-49.1171-68.317373.200111.9I39 C40 C41 R46 N47 H48 M77 M78 E81I39-M44 HydrophobicContact CG2-SD 3.68Å; C40-M44 WeakPolarHBondContact O-CG 3.38Å; C40-M44 PolarHBondContact O-N 3.24Å; C41-M44 PolarHBondContact O-N 3.18Å; M44-R46 PolarHBondContact O-N 3.3Å; M44-N47 PolarHBondContact O-N 2.79Å; M44-H48 PolarHBondContact O-CD2 2.8Å; M44-H48 VanDerWaalsContact O-CD2 3.25Å; M44-H48 PolarHBondContact O-N 3.19Å; M44-M77 HydrophobicContact CB-CE 4.35Å; M44-M77 HydrophobicContact CE-CE 4.34Å; M44-M77 HydrophobicContact CE-CG 4.27Å; M44-M77 HydrophobicContact CE-SD 4.44Å; M44-M78 HydrophobicContact SD-SD 3.97Å; M44-E81 HydrophobicContact CE-CB 3.72Å; M44-E81 HydrophobicContact CE-CG 3.56Å; M44-E81 HydrophobicContact SD-CB 4.48Å; M44-E81 HydrophobicContact SD-CG 3.97Å
45L95.7Very high95.3Very high14 Ų1451.1 Ų51.17%0.07327%0.271CS..Hα-helixtrans-63.5-41.7179-66.8168000111.8C41 D43 H48 V49 V59 I63 V69 M77C41-L45 VanDerWaalsContact O-CG 3.27Å; C41-L45 WeakPolarHBondContact O-CG 3.22Å; C41-L45 PolarHBondContact O-N 3.23Å; D43-L45 PolarHBondContact O-N 3.31Å; L45-H48 WeakPolarHBondContact O-CB 3.46Å; L45-H48 PolarHBondContact O-N 3.21Å; L45-V49 WeakPolarHBondContact O-CG2 3.37Å; L45-V49 PolarHBondContact O-N 3.23Å; L45-V59 HydrophobicContact CB-CG2 4.48Å; L45-V59 HydrophobicContact CD2-CB 4.47Å; L45-V59 HydrophobicContact CD2-CG1 4.14Å; L45-V59 HydrophobicContact CD2-CG2 4.21Å; L45-I63 HydrophobicContact CB-CD1 3.95Å; L45-V69 HydrophobicContact CD1-CG2 3.95Å; L45-V69 HydrophobicContact CD2-CG2 4.45Å; L45-M77 HydrophobicContact CD2-CE 3.72Å; L45-M77 HydrophobicContact CD2-SD 3.86Å; L45-M77 HydrophobicContact CG-CE 3.94Å
46R93.8Very high95.3Very high29 Ų2948.3 Ų48.311%0.10925%0.248CC..Hα-helixtrans-65.3-38.1175.3-74.1-165.7-166.494.10.6112.2G42 D43 M44 H48 V49 V50 I63 R164 D166G42-R46 WeakPolarHBondContact O-CG 3.34Å; G42-R46 PolarHBondContact O-N 2.86Å; G42-R46 VanDerWaalsContact O-N 3.09Å; D43-R46 PolarHBondContact O-N 2.79Å; D43-R46 IonicContact OD1-NH1 3.47Å; M44-R46 PolarHBondContact O-N 3.3Å; R46-H48 VanDerWaalsContact C-N 3.33Å; R46-H48 PolarHBondContact O-N 3.22Å; R46-V49 WeakPolarHBondContact O-CB 3.46Å; R46-V49 PolarHBondContact O-N 3.17Å; R46-V50 WeakPolarHBondContact O-CG2 3.32Å; R46-V50 PolarHBondContact O-N 3.32Å; R46-I63 HydrophobicContact CG-CD1 4.37Å; R46-I63 HydrophobicContact CG-CG2 4.4Å; R46-R164 VanDerWaalsContact CZ-CD 3.5Å; R46-D166 IonicContact CZ-OD1 2.94Å; R46-D166 IonicContact CZ-OD2 3.71Å; R46-D166 IonicContact NE-OD1 3.08Å; R46-D166 PolarHBondContact NE-OD1 2.98Å; R46-D166 VanDerWaalsContact NE-OD1 3.08Å; R46-D166 IonicContact NE-OD2 3.99Å; R46-D166 VanDerWaalsContact NH2-CG 3.34Å; R46-D166 IonicContact NH2-OD1 3.02Å; R46-D166 PolarHBondContact NH2-OD1 3.25Å; R46-D166 IonicContact NH2-OD2 2.78Å; R46-D166 PolarHBondContact NH2-OD2 3.26Å
47N92.9Very high95.3Very high56 Ų5653 Ų5330%0.29927%0.273SS..Hα-helixtrans-62.7-41.5175.4-73.1-11.3000111.2D43 M44 V49 V50 L51D43-N47 WeakPolarHBondContact O-CB 3.23Å; D43-N47 PolarHBondContact O-N 2.92Å; M44-N47 PolarHBondContact O-N 2.79Å; N47-V49 VanDerWaalsContact C-N 3.29Å; N47-V49 PolarHBondContact O-N 2.84Å; N47-V50 PolarHBondContact O-N 3.34Å; N47-L51 WeakPolarHBondContact O-CB 3.31Å; N47-L51 VanDerWaalsContact O-CG 3.3Å; N47-L51 WeakPolarHBondContact O-CG 3.48Å; N47-L51 PolarHBondContact O-N 3.14Å
48H95Very high95.3Very high50 Ų5054.3 Ų54.323%0.23128%0.281CS..Hα-helixtrans-58.4-37.9173.1-86.2-66.4000113.4M44 L45 R46 K52 T53 I55 G56M44-H48 PolarHBondContact O-CD2 2.8Å; M44-H48 VanDerWaalsContact O-CD2 3.25Å; M44-H48 PolarHBondContact O-N 3.19Å; L45-H48 WeakPolarHBondContact O-CB 3.46Å; L45-H48 PolarHBondContact O-N 3.21Å; R46-H48 VanDerWaalsContact C-N 3.33Å; R46-H48 PolarHBondContact O-N 3.22Å; H48-K52 PolarHBondContact O-N 2.86Å; H48-T53 WeakPolarHBondContact CB-OG1 3.17Å; H48-T53 PolarHBondContact ND1-OG1 3.26Å; H48-T53 PolarHBondContact O-N 3.49Å; H48-T53 VanDerWaalsContact O-N 3.11Å; H48-T53 PolarHBondContact O-OG1 3.4Å; H48-I55 HydrophobicContact CB-CB 4.44Å; H48-I55 HydrophobicContact CB-CG2 4.25Å; H48-G56 WeakPolarHBondContact O-CA 3.42Å
49V94.6Very high95.3Very high42 Ų4252.5 Ų52.526%0.25527%0.273SS..Hα-helixtrans-67.7-47.9175175.20000111.1L45 R46 N47 L51 K52 V59 I63L45-V49 WeakPolarHBondContact O-CG2 3.37Å; L45-V49 PolarHBondContact O-N 3.23Å; R46-V49 WeakPolarHBondContact O-CB 3.46Å; R46-V49 PolarHBondContact O-N 3.17Å; N47-V49 VanDerWaalsContact C-N 3.29Å; N47-V49 PolarHBondContact O-N 2.84Å; V49-L51 VanDerWaalsContact C-N 3.3Å; V49-L51 PolarHBondContact O-N 2.96Å; V49-K52 PolarHBondContact O-N 2.96Å; V49-V59 HydrophobicContact CG2-CG2 3.91Å; V49-I63 HydrophobicContact CG2-CD1 3.81Å
50V92.1Very high95.3Very high86 Ų8653.3 Ų53.352%0.52128%0.28SS..Hα-helixtrans-61.2-40.8179.7170.70000111.3R46 N47 K52 L135R46-V50 WeakPolarHBondContact O-CG2 3.32Å; R46-V50 PolarHBondContact O-N 3.32Å; N47-V50 PolarHBondContact O-N 3.34Å; V50-K52 PolarHBondContact O-N 3.39Å; V50-L135 HydrophobicContact CG2-CD1 4Å
51L93.9Very high95.3Very high127 Ų12761.7 Ų61.767%0.66531%0.308SS*.THydrogen-bonded Turntrans-78.60.5177.9-65.5176.1000113.9N47 V49 T53N47-L51 WeakPolarHBondContact O-CB 3.31Å; N47-L51 VanDerWaalsContact O-CG 3.3Å; N47-L51 WeakPolarHBondContact O-CG 3.48Å; N47-L51 PolarHBondContact O-N 3.14Å; V49-L51 VanDerWaalsContact C-N 3.3Å; V49-L51 PolarHBondContact O-N 2.96Å; L51-T53 VanDerWaalsContact C-N 3.26Å; L51-T53 HydrophobicContact CB-CG2 3.99Å; L51-T53 PolarHBondContact O-N 3.18Å
52K95.8Very high95.3Very high170 Ų17065 Ų6574%0.73932%0.323SS*.THydrogen-bonded Turntrans50.545.2179.1-56.9-178.8-178.9179.40113.2H48 V49 V50H48-K52 PolarHBondContact O-N 2.86Å; V49-K52 PolarHBondContact O-N 2.96Å; V50-K52 PolarHBondContact O-N 3.39Å
53T97.2Very high95.3Very high43 Ų4365.9 Ų65.926%0.26432%0.324SS..  trans-82.1161.817562.80000110.8H48 L51 I55 G56 D57H48-T53 WeakPolarHBondContact CB-OG1 3.17Å; H48-T53 PolarHBondContact ND1-OG1 3.26Å; H48-T53 PolarHBondContact O-N 3.49Å; H48-T53 VanDerWaalsContact O-N 3.11Å; H48-T53 PolarHBondContact O-OG1 3.4Å; L51-T53 VanDerWaalsContact C-N 3.26Å; L51-T53 HydrophobicContact CB-CG2 3.99Å; L51-T53 PolarHBondContact O-N 3.18Å; T53-I55 PolarHBondContact O-N 3.13Å; T53-I55 VanDerWaalsContact O-N 3.17Å; T53-G56 CarbonylContact O-C 3.57Å; T53-G56 VanDerWaalsContact O-CA 3.26Å; T53-G56 WeakPolarHBondContact O-CA 3.35Å; T53-G56 PolarHBondContact O-N 3.41Å; T53-G56 PolarHBondContact OG1-N 2.91Å; T53-G56 VanDerWaalsContact OG1-N 3.14Å; T53-D57 PolarHBondContact O-N 2.96Å
54D96.3Very high95.4Very high128 Ų12869.6 Ų69.668%0.68434%0.341SS*.Hα-helixtrans-55.4-35.5175.6-64-15.2000113Q58D54-Q58 VanDerWaalsContact O-CG 3.3Å; D54-Q58 WeakPolarHBondContact O-CG 3.33Å; D54-Q58 PolarHBondContact O-N 3.39Å; D54-Q58 PolarHBondContact O-NE2 3.38Å
55I95.3Very high95.4Very high48 Ų4872.3 Ų72.325%0.24636%0.356CS..Hα-helixtrans-66.9-45.1173.3-65.4175.1000109.5H48 T53 D57 Q58 V59H48-I55 HydrophobicContact CB-CB 4.44Å; H48-I55 HydrophobicContact CB-CG2 4.25Å; T53-I55 PolarHBondContact O-N 3.13Å; T53-I55 VanDerWaalsContact O-N 3.17Å; I55-D57 VanDerWaalsContact C-N 3.34Å; I55-D57 PolarHBondContact O-N 3.27Å; I55-Q58 PolarHBondContact O-N 2.82Å; I55-V59 HydrophobicContact CG2-CG1 4.21Å; I55-V59 WeakPolarHBondContact O-CG1 3.34Å; I55-V59 WeakPolarHBondContact O-CG2 3.24Å; I55-V59 PolarHBondContact O-N 2.81Å
56G96.3Very high95.4Very high0 Ų072 Ų720%036%0.356CS..Hα-helixtrans-52.9-49.4176.600000112.7H48 T53 Q58 V59 S60H48-G56 WeakPolarHBondContact O-CA 3.42Å; T53-G56 CarbonylContact O-C 3.57Å; T53-G56 VanDerWaalsContact O-CA 3.26Å; T53-G56 WeakPolarHBondContact O-CA 3.35Å; T53-G56 PolarHBondContact O-N 3.41Å; T53-G56 PolarHBondContact OG1-N 2.91Å; T53-G56 VanDerWaalsContact OG1-N 3.14Å; G56-Q58 VanDerWaalsContact C-N 3.33Å; G56-Q58 PolarHBondContact O-N 3.23Å; G56-V59 PolarHBondContact O-N 2.8Å; G56-S60 VanDerWaalsContact O-CB 3.27Å; G56-S60 WeakPolarHBondContact O-CB 3.34Å; G56-S60 PolarHBondContact O-N 3.24Å
57D96.7Very high95.5Very high111 Ų11172.6 Ų72.659%0.59437%0.365SS*.Hα-helixtrans-63-39.3179.4-72.3-14.1000112.2T53 I55T53-D57 PolarHBondContact O-N 2.96Å; I55-D57 VanDerWaalsContact C-N 3.34Å; I55-D57 PolarHBondContact O-N 3.27Å
58Q96.5Very high95.7Very high112 Ų11271.8 Ų71.852%0.52336%0.36SS..Hα-helixtrans-66.8-36.9176.2-73.1172.170.600112.9D54 I55 G56 F62 L73D54-Q58 VanDerWaalsContact O-CG 3.3Å; D54-Q58 WeakPolarHBondContact O-CG 3.33Å; D54-Q58 PolarHBondContact O-N 3.39Å; D54-Q58 PolarHBondContact O-NE2 3.38Å; I55-Q58 PolarHBondContact O-N 2.82Å; G56-Q58 VanDerWaalsContact C-N 3.33Å; G56-Q58 PolarHBondContact O-N 3.23Å; Q58-F62 WeakPolarHBondContact O-CD2 3.2Å; Q58-F62 WeakPolarHBondContact O-CE2 3.49Å; Q58-L73 HydrophobicContact CB-CD2 4.39Å
59V96.6Very high95.8Very high0 Ų069.9 Ų69.90%035%0.352CS..Hα-helixtrans-97-18-171.9-54.40000114.4L45 V49 I55 G56 R61 F62 I63 V69 L73L45-V59 HydrophobicContact CB-CG2 4.48Å; L45-V59 HydrophobicContact CD2-CB 4.47Å; L45-V59 HydrophobicContact CD2-CG1 4.14Å; L45-V59 HydrophobicContact CD2-CG2 4.21Å; V49-V59 HydrophobicContact CG2-CG2 3.91Å; I55-V59 HydrophobicContact CG2-CG1 4.21Å; I55-V59 WeakPolarHBondContact O-CG1 3.34Å; I55-V59 WeakPolarHBondContact O-CG2 3.24Å; I55-V59 PolarHBondContact O-N 2.81Å; G56-V59 PolarHBondContact O-N 2.8Å; V59-R61 VanDerWaalsContact C-N 3.34Å; V59-R61 PolarHBondContact O-N 3.36Å; V59-F62 WeakPolarHBondContact O-CB 3.33Å; V59-F62 PolarHBondContact O-N 2.97Å; V59-I63 HydrophobicContact CG2-CD1 3.94Å; V59-I63 PolarHBondContact O-N 2.79Å; V59-I63 VanDerWaalsContact O-N 3.11Å; V59-V69 HydrophobicContact CB-CG1 4.5Å; V59-V69 HydrophobicContact CB-CG2 3.8Å; V59-V69 HydrophobicContact CG1-CB 4.45Å; V59-V69 HydrophobicContact CG1-CG1 3.65Å; V59-V69 HydrophobicContact CG1-CG2 3.86Å; V59-L73 HydrophobicContact CG1-CD2 3.61Å
60S96.4Very high95.9Very high23 Ų2370.6 Ų70.616%0.16136%0.358CS..Hα-helixtrans-51.7-49-172.7179.30000112.6G56 F62 I63 Q64G56-S60 VanDerWaalsContact O-CB 3.27Å; G56-S60 WeakPolarHBondContact O-CB 3.34Å; G56-S60 PolarHBondContact O-N 3.24Å; S60-F62 VanDerWaalsContact C-N 3.3Å; S60-F62 PolarHBondContact O-N 3.19Å; S60-I63 PolarHBondContact O-N 2.78Å; S60-Q64 WeakPolarHBondContact O-CB 3.45Å; S60-Q64 WeakPolarHBondContact O-CG 3.47Å; S60-Q64 PolarHBondContact O-N 3.36Å
61R96.5Very high96.2Very high194 Ų19468.2 Ų68.273%0.73234%0.342SS*.Hα-helixtrans-64.4-30.9178.6-68.4-175.7179.9179.50.8113.5V59 N65V59-R61 VanDerWaalsContact C-N 3.34Å; V59-R61 PolarHBondContact O-N 3.36Å; R61-N65 VanDerWaalsContact O-CB 3.32Å; R61-N65 WeakPolarHBondContact O-CB 3.43Å; R61-N65 PolarHBondContact O-N 3.4Å; R61-N65 PolarHBondContact O-ND2 3.08Å
62F97.3Very high96.3Very high74 Ų7467 Ų6733%0.32534%0.344SS..Hα-helixtrans-71.1-43.2177.3-64.8-87.6000110.6Q58 V59 S60 N65 G66 S67 L68 V69 P70Q58-F62 WeakPolarHBondContact O-CD2 3.2Å; Q58-F62 WeakPolarHBondContact O-CE2 3.49Å; V59-F62 WeakPolarHBondContact O-CB 3.33Å; V59-F62 PolarHBondContact O-N 2.97Å; S60-F62 VanDerWaalsContact C-N 3.3Å; S60-F62 PolarHBondContact O-N 3.19Å; F62-N65 PolarHBondContact O-N 2.96Å; F62-G66 PolarHBondContact O-N 2.72Å; F62-G66 VanDerWaalsContact O-N 3.13Å; F62-S67 PolarHBondContact O-N 2.91Å; F62-L68 VanDerWaalsContact CD1-O 3.23Å; F62-L68 WeakPolarHBondContact CD1-O 3.48Å; F62-V69 HydrophobicContact CB-CG2 4.11Å; F62-P70 HydrophobicContact CE1-CG 4.36Å; F62-P70 HydrophobicContact CE2-CG 4.49Å; F62-P70 HydrophobicContact CZ-CG 4.03Å
63I95Very high96.3Very high29 Ų2960.8 Ų60.815%0.14932%0.319CS..Hα-helixtrans-62.5-52.6176.4-66.7164.5000110.6L45 R46 V49 V59 S60 N65 G66 D166L45-I63 HydrophobicContact CB-CD1 3.95Å; R46-I63 HydrophobicContact CG-CD1 4.37Å; R46-I63 HydrophobicContact CG-CG2 4.4Å; V49-I63 HydrophobicContact CG2-CD1 3.81Å; V59-I63 HydrophobicContact CG2-CD1 3.94Å; V59-I63 PolarHBondContact O-N 2.79Å; V59-I63 VanDerWaalsContact O-N 3.11Å; S60-I63 PolarHBondContact O-N 2.78Å; I63-N65 PolarHBondContact O-N 2.81Å; I63-G66 PolarHBondContact O-N 3.11Å; I63-D166 HydrophobicContact CG2-CB 4.29Å; I63-D166 WeakPolarHBondContact O-CB 3.41Å
64Q95.1Very high96.3Very high94 Ų9459 Ų5944%0.43931%0.308SS..Hα-helixtrans-57.5-35.2-178-73.8174.5-14.900112.3S60 T171S60-Q64 WeakPolarHBondContact O-CB 3.45Å; S60-Q64 WeakPolarHBondContact O-CG 3.47Å; S60-Q64 PolarHBondContact O-N 3.36Å; Q64-T171 PolarHBondContact O-OG1 2.66Å
65N95.5Very high96.4Very high89 Ų8953.2 Ų53.248%0.47628%0.277SS..THydrogen-bonded Turntrans-92.35.5179.1-67.2-50.4000113.4R61 F62 I63 S67 K174R61-N65 VanDerWaalsContact O-CB 3.32Å; R61-N65 WeakPolarHBondContact O-CB 3.43Å; R61-N65 PolarHBondContact O-N 3.4Å; R61-N65 PolarHBondContact O-ND2 3.08Å; F62-N65 PolarHBondContact O-N 2.96Å; I63-N65 PolarHBondContact O-N 2.81Å; N65-S67 PolarHBondContact O-N 3.03Å; N65-S67 VanDerWaalsContact O-N 3.17Å; N65-K174 WeakPolarHBondContact O-CD 3.47Å; N65-K174 WeakPolarHBondContact O-CE 3.49Å; N65-K174 PolarHBondContact O-NZ 3Å
66G94.3Very high96.4Very high6 Ų658.9 Ų58.96%0.06230%0.3CS..THydrogen-bonded Turntrans65.916.7-179.500000115.3F62 I63F62-G66 PolarHBondContact O-N 2.72Å; F62-G66 VanDerWaalsContact O-N 3.13Å; I63-G66 PolarHBondContact O-N 3.11Å
67S96.5Very high96.4Very high43 Ų4359.9 Ų59.930%0.30131%0.305SS..PPolyproline II helixtrans-84.9160.6176.8-69.20000111.5F62 N65 K174F62-S67 PolarHBondContact O-N 2.91Å; N65-S67 PolarHBondContact O-N 3.03Å; N65-S67 VanDerWaalsContact O-N 3.17Å; S67-K174 VanDerWaalsContact OG-CE 3.24Å; S67-K174 WeakPolarHBondContact OG-CE 3.43Å; S67-K174 PolarHBondContact OG-NZ 3.21Å
68L97Very high96.5Very high38 Ų3854.6 Ų54.620%0.19928%0.277CS..PPolyproline II helixtrans-72.6139.9168.7-62.5178.3000110.8F62 R97 T98 V178F62-L68 VanDerWaalsContact CD1-O 3.23Å; F62-L68 WeakPolarHBondContact CD1-O 3.48Å; L68-R97 HydrophobicContact CD1-CB 4.47Å; L68-R97 HydrophobicContact CD2-CB 3.94Å; L68-R97 HydrophobicContact CD2-CG 4.4Å; L68-T98 HydrophobicContact CD1-CG2 3.43Å; L68-T98 VanDerWaalsContact CD1-CG2 3.43Å; L68-V178 HydrophobicContact CD1-CG1 3.84Å; L68-V178 HydrophobicContact CD2-CG1 3.63Å; L68-V178 HydrophobicContact CG-CG1 3.5Å; L68-V178 VanDerWaalsContact CG-CG1 3.5Å
69V97.4Very high96.5Very high11 Ų1149.6 Ų49.67%0.06725%0.254CS..PPolyproline II helixtrans-66.4142.9164.4174.10000108.5L45 V59 F62 D71 L73 V74L45-V69 HydrophobicContact CD1-CG2 3.95Å; L45-V69 HydrophobicContact CD2-CG2 4.45Å; V59-V69 HydrophobicContact CB-CG1 4.5Å; V59-V69 HydrophobicContact CB-CG2 3.8Å; V59-V69 HydrophobicContact CG1-CB 4.45Å; V59-V69 HydrophobicContact CG1-CG1 3.65Å; V59-V69 HydrophobicContact CG1-CG2 3.86Å; F62-V69 HydrophobicContact CB-CG2 4.11Å; V69-D71 PolarHBondContact O-N 3.43Å; V69-L73 HydrophobicContact CG1-CB 4.29Å; V69-L73 HydrophobicContact CG1-CD2 3.95Å; V69-L73 HydrophobicContact CG1-CG 4.33Å; V69-V74 HydrophobicContact CB-CB 4.43Å; V69-V74 HydrophobicContact CG1-CB 4.17Å
70P97.5Very high96.4Very high57 Ų5752 Ų5237%0.3727%0.274SS..PPolyproline II helixtrans-51.2134.9178.7-29.436.2000113.5F62 S72 L73 V74F62-P70 HydrophobicContact CE1-CG 4.36Å; F62-P70 HydrophobicContact CE2-CG 4.49Å; F62-P70 HydrophobicContact CZ-CG 4.03Å; P70-S72 VanDerWaalsContact C-N 3.27Å; P70-S72 PolarHBondContact O-N 2.94Å; P70-L73 PolarHBondContact O-N 3.37Å; P70-L73 VanDerWaalsContact O-N 3.08Å; P70-V74 PolarHBondContact O-N 3.39Å; P70-V74 VanDerWaalsContact O-N 3.14Å
71D97.8Very high96.5Very high36 Ų3653.6 Ų53.619%0.19328%0.279CS..Hα-helixtrans-53.5-41.3-174.6-72.5-24.6000112.8V69 L73 T75 T98 I100 Q101V69-D71 PolarHBondContact O-N 3.43Å; D71-L73 VanDerWaalsContact C-N 3.34Å; D71-L73 PolarHBondContact O-N 3.19Å; D71-T75 WeakPolarHBondContact O-CB 3.47Å; D71-T75 PolarHBondContact O-N 2.78Å; D71-T75 PolarHBondContact O-OG1 3.42Å; D71-T98 WeakPolarHBondContact OD1-CG2 3.33Å; D71-T98 PolarHBondContact OD1-OG1 3.4Å; D71-T98 PolarHBondContact OD2-OG1 3.03Å; D71-I100 HydrophobicContact CB-CG2 4.07Å; D71-I100 WeakPolarHBondContact OD2-CB 3.41Å; D71-I100 WeakPolarHBondContact OD2-CD1 3.49Å; D71-Q101 HydrophobicContact CB-CG 4.32Å; D71-Q101 VanDerWaalsContact OD1-CG 3.31Å; D71-Q101 WeakPolarHBondContact OD1-CG 3.23Å; D71-Q101 PolarHBondContact OD1-NE2 2.79Å
72S95Very high96.4Very high100 Ų10044.4 Ų44.470%0.69924%0.244SC*.Hα-helixtrans-60.6-40.6-179.955.10000113.2P70 K76P70-S72 VanDerWaalsContact C-N 3.27Å; P70-S72 PolarHBondContact O-N 2.94Å; S72-K76 WeakPolarHBondContact O-CB 3.49Å; S72-K76 PolarHBondContact O-N 3.01Å
73L95.9Very high96.2Very high40 Ų4045.7 Ų45.721%0.20925%0.251CS..Hα-helixtrans-74-50.1-179.2-178.362.4000110.6Q58 V59 V69 P70 D71 K76 M77Q58-L73 HydrophobicContact CB-CD2 4.39Å; V59-L73 HydrophobicContact CG1-CD2 3.61Å; V69-L73 HydrophobicContact CG1-CB 4.29Å; V69-L73 HydrophobicContact CG1-CD2 3.95Å; V69-L73 HydrophobicContact CG1-CG 4.33Å; P70-L73 PolarHBondContact O-N 3.37Å; P70-L73 VanDerWaalsContact O-N 3.08Å; D71-L73 VanDerWaalsContact C-N 3.34Å; D71-L73 PolarHBondContact O-N 3.19Å; L73-K76 PolarHBondContact O-N 3.01Å; L73-M77 PolarHBondContact O-N 3.01Å; L73-M77 VanDerWaalsContact O-N 3.17Å
74V97.6Very high96.2Very high5 Ų548.5 Ų48.53%0.0327%0.273CS..Hα-helixtrans-70.7-39.4-175.568.20000112.2C41 V69 P70 M77 M78 F95 Q101C41-V74 WeakPolarHBondContact SG-CG2 3.48Å; V69-V74 HydrophobicContact CB-CB 4.43Å; V69-V74 HydrophobicContact CG1-CB 4.17Å; P70-V74 PolarHBondContact O-N 3.39Å; P70-V74 VanDerWaalsContact O-N 3.14Å; V74-M77 HydrophobicContact CG2-CE 4.41Å; V74-M77 PolarHBondContact O-N 3.47Å; V74-M78 HydrophobicContact CG2-CG 4.12Å; V74-M78 WeakPolarHBondContact O-CB 3.34Å; V74-M78 VanDerWaalsContact O-CG 3.25Å; V74-M78 WeakPolarHBondContact O-CG 3.45Å; V74-M78 PolarHBondContact O-N 3.45Å; V74-F95 HydrophobicContact CG1-CE2 4.26Å; V74-F95 HydrophobicContact CG2-CD2 4.09Å; V74-F95 HydrophobicContact CG2-CE2 4.38Å; V74-Q101 HydrophobicContact CG1-CG 4.33Å
75T97.7Very high96.1Very high8 Ų847.3 Ų47.35%0.04927%0.265CS..Hα-helixtrans-62.6-45.7176.4-65.40000110.7D71 M77 M78 I79 F95 D104D71-T75 WeakPolarHBondContact O-CB 3.47Å; D71-T75 PolarHBondContact O-N 2.78Å; D71-T75 PolarHBondContact O-OG1 3.42Å; T75-M77 VanDerWaalsContact C-N 3.35Å; T75-M77 PolarHBondContact O-N 3.49Å; T75-M78 PolarHBondContact O-N 3.25Å; T75-I79 HydrophobicContact CG2-CG1 4Å; T75-I79 WeakPolarHBondContact O-CB 3.47Å; T75-I79 VanDerWaalsContact O-CG1 3.23Å; T75-I79 WeakPolarHBondContact O-CG1 3.29Å; T75-I79 PolarHBondContact O-N 2.74Å; T75-F95 HydrophobicContact CG2-CZ 4.41Å; T75-D104 HydrophobicContact CG2-CB 3.7Å
76K96.2Very high95.5Very high166 Ų16647.9 Ų47.972%0.72227%0.272SS*.Hα-helixtrans-58.5-47178.3-176.9-178.9177.3-176.50111.6S72 L73 A80S72-K76 WeakPolarHBondContact O-CB 3.49Å; S72-K76 PolarHBondContact O-N 3.01Å; L73-K76 PolarHBondContact O-N 3.01Å; K76-A80 WeakPolarHBondContact O-CB 3.47Å; K76-A80 PolarHBondContact O-N 2.8Å; K76-A80 VanDerWaalsContact O-N 3.17Å
77M97.1Very high95.2Very high22 Ų2250.4 Ų50.411%0.10830%0.298CS..Hα-helixtrans-61.6-48178-176-168.273.800111.6M44 L45 L73 V74 T75 A80 E81M44-M77 HydrophobicContact CB-CE 4.35Å; M44-M77 HydrophobicContact CE-CE 4.34Å; M44-M77 HydrophobicContact CE-CG 4.27Å; M44-M77 HydrophobicContact CE-SD 4.44Å; L45-M77 HydrophobicContact CD2-CE 3.72Å; L45-M77 HydrophobicContact CD2-SD 3.86Å; L45-M77 HydrophobicContact CG-CE 3.94Å; L73-M77 PolarHBondContact O-N 3.01Å; L73-M77 VanDerWaalsContact O-N 3.17Å; V74-M77 HydrophobicContact CG2-CE 4.41Å; V74-M77 PolarHBondContact O-N 3.47Å; T75-M77 VanDerWaalsContact C-N 3.35Å; T75-M77 PolarHBondContact O-N 3.49Å; M77-A80 PolarHBondContact O-N 2.88Å; M77-E81 PolarHBondContact O-N 3.12Å
78M97.8Very high95.1Very high0 Ų051.3 Ų51.30%030%0.299CS..Hα-helixtrans-69.3-39.2-176-71.8-58.8-54.600113.1I39 C41 M44 V74 T75 E81 C82 I92 F95I39-M78 HydrophobicContact CG2-CE 3.63Å; C41-M78 HydrophobicContact CB-CE 4.01Å; C41-M78 HydrophobicContact CB-CG 4.31Å; C41-M78 HydrophobicContact CB-SD 3.46Å; C41-M78 WeakPolarHBondContact CB-SD 3.28Å; M44-M78 HydrophobicContact SD-SD 3.97Å; V74-M78 HydrophobicContact CG2-CG 4.12Å; V74-M78 WeakPolarHBondContact O-CB 3.34Å; V74-M78 VanDerWaalsContact O-CG 3.25Å; V74-M78 WeakPolarHBondContact O-CG 3.45Å; V74-M78 PolarHBondContact O-N 3.45Å; T75-M78 PolarHBondContact O-N 3.25Å; M78-E81 PolarHBondContact O-N 2.93Å; M78-C82 WeakPolarHBondContact O-CB 3.22Å; M78-C82 PolarHBondContact O-N 3.31Å; M78-C82 PolarHBondContact O-SG 3.47Å; M78-I92 HydrophobicContact CE-CG2 3.78Å; M78-F95 HydrophobicContact CB-CD1 3.95Å; M78-F95 HydrophobicContact CB-CD2 4.22Å; M78-F95 HydrophobicContact CB-CE1 3.93Å; M78-F95 HydrophobicContact CB-CE2 4.2Å; M78-F95 HydrophobicContact CB-CG 4.1Å; M78-F95 HydrophobicContact CB-CZ 4.07Å; M78-F95 HydrophobicContact CE-CB 4.02Å; M78-F95 HydrophobicContact CE-CD1 4.37Å; M78-F95 HydrophobicContact CE-CG 4.32Å; M78-F95 HydrophobicContact CG-CB 4.14Å; M78-F95 HydrophobicContact CG-CD1 4.1Å; M78-F95 HydrophobicContact CG-CD2 3.77Å; M78-F95 HydrophobicContact CG-CE1 4.47Å; M78-F95 HydrophobicContact CG-CE2 4.15Å; M78-F95 HydrophobicContact CG-CG 3.74Å; M78-F95 HydrophobicContact CG-CZ 4.5Å; M78-F95 HydrophobicContact SD-CB 4.48Å
79I96.2Very high95.1Very high7 Ų751 Ų514%0.03630%0.298CS..Hα-helixtrans-65-44.6176.1-65.1-62.2000110.6T75 E81 C82 Q83 I105 Q108 L109T75-I79 HydrophobicContact CG2-CG1 4Å; T75-I79 WeakPolarHBondContact O-CB 3.47Å; T75-I79 VanDerWaalsContact O-CG1 3.23Å; T75-I79 WeakPolarHBondContact O-CG1 3.29Å; T75-I79 PolarHBondContact O-N 2.74Å; I79-E81 PolarHBondContact O-N 2.86Å; I79-C82 PolarHBondContact O-N 2.98Å; I79-Q83 HydrophobicContact CG2-CG 4.34Å; I79-Q83 WeakPolarHBondContact O-CB 3.34Å; I79-Q83 VanDerWaalsContact O-CG 3.28Å; I79-Q83 WeakPolarHBondContact O-CG 3.49Å; I79-Q83 PolarHBondContact O-N 3.17Å; I79-I105 HydrophobicContact CD1-CB 4.15Å; I79-I105 HydrophobicContact CD1-CD1 4.47Å; I79-I105 HydrophobicContact CD1-CG1 3.89Å; I79-Q108 HydrophobicContact CD1-CB 4.17Å; I79-L109 HydrophobicContact CD1-CD1 3.99Å; I79-L109 HydrophobicContact CD1-CG 4.43Å; I79-L109 HydrophobicContact CG2-CD1 4.36Å
80A96Very high95.2Very high51 Ų5150.7 Ų50.742%0.42130%0.296SS..Hα-helixtrans-60.1-44.5177.100000111.8K76 M77 Q83 S84K76-A80 WeakPolarHBondContact O-CB 3.47Å; K76-A80 PolarHBondContact O-N 2.8Å; K76-A80 VanDerWaalsContact O-N 3.17Å; M77-A80 PolarHBondContact O-N 2.88Å; A80-Q83 PolarHBondContact O-N 3.45Å; A80-S84 PolarHBondContact O-N 2.82Å; A80-S84 PolarHBondContact O-OG 3.17Å
81E96.5Very high95.2Very high56 Ų5648 Ų4826%0.26228%0.278SS..Hα-helixtrans-61.7-47.4176.3-174.765.5-163.600111.6I39 M44 M77 M78 I79 Q83 S84 Y85I39-E81 HydrophobicContact CD1-CG 4.15Å; I39-E81 HydrophobicContact CG1-CG 4.43Å; I39-E81 HydrophobicContact CG2-CG 3.81Å; M44-E81 HydrophobicContact CE-CB 3.72Å; M44-E81 HydrophobicContact CE-CG 3.56Å; M44-E81 HydrophobicContact SD-CB 4.48Å; M44-E81 HydrophobicContact SD-CG 3.97Å; M77-E81 PolarHBondContact O-N 3.12Å; M78-E81 PolarHBondContact O-N 2.93Å; I79-E81 PolarHBondContact O-N 2.86Å; E81-Q83 VanDerWaalsContact C-N 3.27Å; E81-Q83 PolarHBondContact O-N 3.4Å; E81-S84 WeakPolarHBondContact O-CB 3.41Å; E81-S84 PolarHBondContact O-N 3.09Å; E81-S84 VanDerWaalsContact O-N 3.13Å; E81-Y85 HydrophobicContact CG-CE2 4.27Å; E81-Y85 VanDerWaalsContact O-CD2 3.22Å; E81-Y85 WeakPolarHBondContact O-CD2 3.43Å; E81-Y85 VanDerWaalsContact OE1-CE2 3.29Å; E81-Y85 WeakPolarHBondContact OE1-CE2 3.46Å; E81-Y85 PolarHBondContact OE1-OH 2.89Å
82C95.6Very high95.2Very high1 Ų146.3 Ų46.31%0.00727%0.269CS..Hα-helixtrans-64.4-32-179.7-65.30000112.6I39 M78 I79 S84 Y85 L90 L109I39-C82 HydrophobicContact CD1-CB 4.43Å; M78-C82 WeakPolarHBondContact O-CB 3.22Å; M78-C82 PolarHBondContact O-N 3.31Å; M78-C82 PolarHBondContact O-SG 3.47Å; I79-C82 PolarHBondContact O-N 2.98Å; C82-S84 PolarHBondContact O-N 3.47Å; C82-Y85 PolarHBondContact O-N 2.9Å; C82-L90 HydrophobicContact CB-CD1 3.98Å; C82-L109 HydrophobicContact CB-CD1 3.35Å
83Q92.7Very high95.3Very high100 Ų10041.9 Ų41.947%0.46724%0.238SC..Hα-helixtrans-67.4-23.6177-77.1172.6-18.800113.1I79 A80 E81 Y85 T86 L109I79-Q83 HydrophobicContact CG2-CG 4.34Å; I79-Q83 WeakPolarHBondContact O-CB 3.34Å; I79-Q83 VanDerWaalsContact O-CG 3.28Å; I79-Q83 WeakPolarHBondContact O-CG 3.49Å; I79-Q83 PolarHBondContact O-N 3.17Å; A80-Q83 PolarHBondContact O-N 3.45Å; E81-Q83 VanDerWaalsContact C-N 3.27Å; E81-Q83 PolarHBondContact O-N 3.4Å; Q83-Y85 PolarHBondContact O-N 3.02Å; Q83-T86 WeakPolarHBondContact O-CG2 3.43Å; Q83-L109 HydrophobicContact CG-CD1 4.32Å; Q83-L109 HydrophobicContact CG-CD2 4.42Å
84S94.4Very high95.4Very high88 Ų8840.5 Ų40.562%0.61523%0.233SC*.THydrogen-bonded Turntrans-68.5-10.7173.5-57.80000113.6A80 E81 C82A80-S84 PolarHBondContact O-N 2.82Å; A80-S84 PolarHBondContact O-OG 3.17Å; E81-S84 WeakPolarHBondContact O-CB 3.41Å; E81-S84 PolarHBondContact O-N 3.09Å; E81-S84 VanDerWaalsContact O-N 3.13Å; C82-S84 PolarHBondContact O-N 3.47Å
85Y92.6Very high95.4Very high70 Ų7040.3 Ų40.328%0.27523%0.232SC..THydrogen-bonded Turntrans-127.732.9-176.9-54.6-77.1000112.7K37 I39 E81 C82 Q83 G87 D88 L90K37-Y85 HydrophobicContact CB-CD1 4.25Å; K37-Y85 HydrophobicContact CB-CG 4.31Å; K37-Y85 HydrophobicContact CD-CD1 3.95Å; K37-Y85 HydrophobicContact CD-CE1 4.1Å; K37-Y85 HydrophobicContact CG-CD1 3.67Å; K37-Y85 HydrophobicContact CG-CE1 4.25Å; K37-Y85 HydrophobicContact CG-CG 4.1Å; I39-Y85 HydrophobicContact CD1-CD2 3.87Å; I39-Y85 HydrophobicContact CD1-CE2 4.16Å; I39-Y85 HydrophobicContact CG1-CE2 4.42Å; E81-Y85 HydrophobicContact CG-CE2 4.27Å; E81-Y85 VanDerWaalsContact O-CD2 3.22Å; E81-Y85 WeakPolarHBondContact O-CD2 3.43Å; E81-Y85 VanDerWaalsContact OE1-CE2 3.29Å; E81-Y85 WeakPolarHBondContact OE1-CE2 3.46Å; E81-Y85 PolarHBondContact OE1-OH 2.89Å; C82-Y85 PolarHBondContact O-N 2.9Å; Q83-Y85 PolarHBondContact O-N 3.02Å; Y85-G87 PolarHBondContact O-N 2.89Å; Y85-G87 VanDerWaalsContact O-N 3.07Å; Y85-D88 PolarHBondContact O-N 3.08Å; Y85-L90 VanDerWaalsContact CB-CD2 3.43Å; Y85-L90 HydrophobicContact CG-CD2 4.28Å
86T83.6Confident95.4Very high101 Ų10140.1 Ų40.162%0.6223%0.23SC*.THydrogen-bonded Turntrans-57-25.5-178.144.50000114.2N10 Q83N10-T86 PolarHBondContact ND2-O 2.83Å; Q83-T86 WeakPolarHBondContact O-CG2 3.43Å
87G88.7Confident95.5Very high59 Ų5936.2 Ų36.261%0.60821%0.211SC*.THydrogen-bonded Turntrans-82.1-7.6176.600000115.5N10 Y85N10-G87 WeakPolarHBondContact ND2-CA 2.89Å; N10-G87 PolarHBondContact ND2-O 2.93Å; Y85-G87 PolarHBondContact O-N 2.89Å; Y85-G87 VanDerWaalsContact O-N 3.07Å
88D94.7Very high95.6Very high61 Ų6135.9 Ų35.933%0.32621%0.21SC..SBendtrans-111.3157.9-173.5-62.9-79.8000112.9N10 K37 Y85 L90N10-D88 WeakPolarHBondContact CB-O 3.48Å; N10-D88 PolarHBondContact ND2-N 3.49Å; K37-D88 HydrophobicContact CB-CB 4.47Å; K37-D88 WeakPolarHBondContact CE-OD1 3.29Å; K37-D88 WeakPolarHBondContact CE-OD2 3.34Å; K37-D88 HydrophobicContact CG-CB 3.57Å; Y85-D88 PolarHBondContact O-N 3.08Å; D88-L90 HydrophobicContact CB-CD2 4.21Å
89N97.3Very high95.6Very high32 Ų3238.6 Ų38.617%0.17122%0.224CC..  trans-68.7136.4159.6-58.2-55.7000109V11 A35 L36 K37 V219V11-N89 HydrophobicContact CB-CB 4.27Å; V11-N89 PolarHBondContact N-OD1 3.01Å; V11-N89 CarbonylContact O-C 3.59Å; V11-N89 VanDerWaalsContact O-CA 3.23Å; V11-N89 WeakPolarHBondContact O-CA 3.27Å; A35-N89 WeakPolarHBondContact O-CB 3.31Å; A35-N89 PolarHBondContact O-ND2 3.27Å; L36-N89 CarbonylContact C-O 3.48Å; L36-N89 VanDerWaalsContact CA-O 3.22Å; L36-N89 WeakPolarHBondContact CA-O 3.2Å; L36-N89 HydrophobicContact CB-CB 3.93Å; L36-N89 WeakPolarHBondContact CB-O 3.36Å; K37-N89 PolarHBondContact N-O 3.19Å; N89-V219 HydrophobicContact CB-CG2 4.32Å
90L97.5Very high95.7Very high5 Ų542.9 Ų42.93%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-114.2138.9-178.5-52.4-175.2000111.3V11 R12 A13 K37 I39 C82 Y85 D88 I92V11-L90 PolarHBondContact O-N 2.73Å; R12-L90 HydrophobicContact CG-CB 4.36Å; R12-L90 HydrophobicContact CG-CD1 4.23Å; R12-L90 HydrophobicContact CG-CG 4.35Å; A13-L90 PolarHBondContact N-O 3.36Å; K37-L90 HydrophobicContact CB-CD2 3.86Å; K37-L90 HydrophobicContact CG-CD2 4.4Å; K37-L90 WeakPolarHBondContact O-CA 3.23Å; I39-L90 HydrophobicContact CD1-CD2 4.49Å; C82-L90 HydrophobicContact CB-CD1 3.98Å; Y85-L90 VanDerWaalsContact CB-CD2 3.43Å; Y85-L90 HydrophobicContact CG-CD2 4.28Å; D88-L90 HydrophobicContact CB-CD2 4.21Å; L90-I92 HydrophobicContact CB-CG1 4.43Å
91L98.3Very high95.8Very high0 Ų040.7 Ų40.70%023%0.227CC..EExtended strand (participates in β ladder)trans-115.4115.8162179.265.2000108.9A13 I15 L30 L36 K37 Y38 I39A13-L91 HydrophobicContact CB-CD1 3.99Å; A13-L91 WeakPolarHBondContact O-CA 3.43Å; I15-L91 HydrophobicContact CB-CD1 4.14Å; I15-L91 HydrophobicContact CG2-CD1 4.16Å; L30-L91 HydrophobicContact CB-CD2 3.99Å; L30-L91 HydrophobicContact CD1-CD1 4.28Å; L30-L91 HydrophobicContact CD1-CD2 3.71Å; L36-L91 HydrophobicContact CD1-CB 3.78Å; L36-L91 HydrophobicContact CD1-CD2 4.5Å; L36-L91 HydrophobicContact CD2-CB 4.32Å; K37-L91 PolarHBondContact O-N 3.14Å; Y38-L91 HydrophobicContact CD2-CB 4.43Å; Y38-L91 HydrophobicContact CD2-CD2 4.07Å; Y38-L91 HydrophobicContact CD2-CG 4.2Å; I39-L91 PolarHBondContact N-O 2.88Å
92I98.3Very high95.9Very high1 Ų138 Ų381%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-105.2120.1-177.6-51.6171.9000108.6A13 V14 I15 I39 M78 L90 F95 I105 I111A13-I92 PolarHBondContact O-N 3.39Å; V14-I92 CarbonylContact C-O 3.58Å; V14-I92 WeakPolarHBondContact CA-O 3.27Å; V14-I92 HydrophobicContact CG2-CB 4.3Å; I15-I92 PolarHBondContact N-O 3.06Å; I39-I92 WeakPolarHBondContact O-CA 3.36Å; M78-I92 HydrophobicContact CE-CG2 3.78Å; L90-I92 HydrophobicContact CB-CG1 4.43Å; I92-F95 HydrophobicContact CG2-CB 4.13Å; I92-F95 HydrophobicContact CG2-CD1 4.29Å; I92-F95 VanDerWaalsContact CG2-O 3.27Å; I92-F95 WeakPolarHBondContact CG2-O 3.41Å; I92-I105 HydrophobicContact CD1-CD1 3.64Å; I92-I111 HydrophobicContact CD1-CD1 4.1Å
93D97.7Very high96.1Very high7 Ų743.1 Ų43.14%0.03724%0.236CC..EExtended strand (participates in β ladder)trans-117137.4-179.6-174.5-4.2000111I15 K23 S27 Y38 I39 C41 F95I15-D93 HydrophobicContact CG2-CB 3.49Å; I15-D93 VanDerWaalsContact CG2-CB 3.49Å; K23-D93 WeakPolarHBondContact CE-OD1 3.13Å; S27-D93 PolarHBondContact OG-OD2 3.23Å; Y38-D93 HydrophobicContact CE2-CB 3.49Å; Y38-D93 VanDerWaalsContact CE2-CB 3.49Å; Y38-D93 PolarHBondContact OH-OD2 3.33Å; I39-D93 PolarHBondContact O-N 3.32Å; C41-D93 PolarHBondContact N-O 2.68Å; D93-F95 PolarHBondContact O-N 3.24Å
94G96.2Very high96.3Very high10 Ų1039.7 Ų39.710%0.10322%0.221CC..SBendtrans73.89.5-179.600000114.5R97G94-R97 WeakPolarHBondContact O-CG 3.27Å; G94-R97 PolarHBondContact O-NE 2.73Å
95F98.4Very high96.4Very high2 Ų235.5 Ų35.51%0.00919%0.192CC..  trans-150.3139.2171.6-179.7-90.8000109.7C41 V74 T75 M78 I92 D93 Q101 I105C41-F95 HydrophobicContact CB-CB 3.84Å; V74-F95 HydrophobicContact CG1-CE2 4.26Å; V74-F95 HydrophobicContact CG2-CD2 4.09Å; V74-F95 HydrophobicContact CG2-CE2 4.38Å; T75-F95 HydrophobicContact CG2-CZ 4.41Å; M78-F95 HydrophobicContact CB-CD1 3.95Å; M78-F95 HydrophobicContact CB-CD2 4.22Å; M78-F95 HydrophobicContact CB-CE1 3.93Å; M78-F95 HydrophobicContact CB-CE2 4.2Å; M78-F95 HydrophobicContact CB-CG 4.1Å; M78-F95 HydrophobicContact CB-CZ 4.07Å; M78-F95 HydrophobicContact CE-CB 4.02Å; M78-F95 HydrophobicContact CE-CD1 4.37Å; M78-F95 HydrophobicContact CE-CG 4.32Å; M78-F95 HydrophobicContact CG-CB 4.14Å; M78-F95 HydrophobicContact CG-CD1 4.1Å; M78-F95 HydrophobicContact CG-CD2 3.77Å; M78-F95 HydrophobicContact CG-CE1 4.47Å; M78-F95 HydrophobicContact CG-CE2 4.15Å; M78-F95 HydrophobicContact CG-CG 3.74Å; M78-F95 HydrophobicContact CG-CZ 4.5Å; M78-F95 HydrophobicContact SD-CB 4.48Å; I92-F95 HydrophobicContact CG2-CB 4.13Å; I92-F95 HydrophobicContact CG2-CD1 4.29Å; I92-F95 VanDerWaalsContact CG2-O 3.27Å; I92-F95 WeakPolarHBondContact CG2-O 3.41Å; D93-F95 PolarHBondContact O-N 3.24Å; F95-Q101 HydrophobicContact CD2-CB 4.38Å; F95-Q101 HydrophobicContact CD2-CG 4.32Å; F95-Q101 VanDerWaalsContact CD2-OE1 3.31Å; F95-Q101 HydrophobicContact CE2-CB 3.67Å; F95-Q101 HydrophobicContact CE2-CG 3.6Å; F95-Q101 HydrophobicContact CZ-CB 3.89Å; F95-Q101 HydrophobicContact CZ-CG 4.24Å; F95-I105 HydrophobicContact CD1-CD1 3.99Å; F95-I105 HydrophobicContact CE1-CB 3.93Å; F95-I105 HydrophobicContact CE1-CD1 3.67Å; F95-I105 HydrophobicContact CE1-CG1 4.29Å; F95-I105 HydrophobicContact CE1-CG2 4.32Å
96P98.4Very high96.6Very high3 Ų333.9 Ų33.92%0.01919%0.187CC..  cis-74.3158.5-630.6-35.6000113.2Q101 A102 I105 L186 Y190P96-Q101 HydrophobicContact CB-CB 3.48Å; P96-Q101 VanDerWaalsContact CB-CB 3.48Å; P96-A102 HydrophobicContact CB-CB 4.06Å; P96-A102 HydrophobicContact CG-CB 3.87Å; P96-I105 HydrophobicContact CG-CG2 4.23Å; P96-L186 HydrophobicContact CB-CD1 4.29Å; P96-L186 HydrophobicContact CG-CD1 4.15Å; P96-L186 WeakPolarHBondContact O-CD1 3.37Å; P96-Y190 HydrophobicContact CG-CE2 4.35Å; P96-Y190 VanDerWaalsContact CG-OH 3.23Å; P96-Y190 WeakPolarHBondContact CG-OH 2.91Å
97R98.2Very high97.2Very high84 Ų8438 Ų3832%0.31719%0.191SC..  trans-122.7-8.9174.9-64.8-169.9-172.3-170.35.2114.2L68 G94 S182 T183L68-R97 HydrophobicContact CD1-CB 4.47Å; L68-R97 HydrophobicContact CD2-CB 3.94Å; L68-R97 HydrophobicContact CD2-CG 4.4Å; G94-R97 WeakPolarHBondContact O-CG 3.27Å; G94-R97 PolarHBondContact O-NE 2.73Å; R97-S182 CarbonylContact O-C 3.14Å; R97-T183 VanDerWaalsContact O-CA 3.32Å; R97-T183 WeakPolarHBondContact O-CA 3.37Å; R97-T183 PolarHBondContact O-N 3.34Å; R97-T183 PolarHBondContact O-OG1 3.34Å
98T98.5Very high97.4Very high15 Ų1540 Ų409%0.09219%0.185CC..SBendtrans-130.3159.2177.472.90000110.1L68 D71 I100 Q101 A102L68-T98 HydrophobicContact CD1-CG2 3.43Å; L68-T98 VanDerWaalsContact CD1-CG2 3.43Å; D71-T98 WeakPolarHBondContact OD1-CG2 3.33Å; D71-T98 PolarHBondContact OD1-OG1 3.4Å; D71-T98 PolarHBondContact OD2-OG1 3.03Å; T98-I100 PolarHBondContact O-N 3.05Å; T98-Q101 PolarHBondContact O-N 2.94Å; T98-Q101 VanDerWaalsContact OG1-CG 3.27Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.27Å; T98-Q101 PolarHBondContact OG1-N 3.29Å; T98-A102 PolarHBondContact O-N 3.3Å
99M98.4Very high97.3Very high58 Ų5838 Ų3829%0.28617%0.174SC..Hα-helixtrans-61.2-33.3177-169.253.958.400112.7A102 K103 L186 Y189M99-A102 PolarHBondContact O-N 3.32Å; M99-K103 HydrophobicContact CG-CD 4.31Å; M99-K103 WeakPolarHBondContact O-CG 3.38Å; M99-K103 PolarHBondContact O-N 3.46Å; M99-K103 HydrophobicContact SD-CG 4.48Å; M99-L186 HydrophobicContact CE-CD2 3.71Å; M99-L186 HydrophobicContact SD-CD2 4.28Å; M99-Y189 HydrophobicContact CE-CG 4.22Å; M99-Y189 HydrophobicContact SD-CD1 4.38Å; M99-Y189 HydrophobicContact SD-CD2 3.96Å; M99-Y189 HydrophobicContact SD-CG 3.86Å
100I98.3Very high97.2Very high97 Ų9739.3 Ų39.350%0.49718%0.184SC..Hα-helixtrans-64.5-52.5177-65.7169.6000109.1D71 T98 A102 K103 D104D71-I100 HydrophobicContact CB-CG2 4.07Å; D71-I100 WeakPolarHBondContact OD2-CB 3.41Å; D71-I100 WeakPolarHBondContact OD2-CD1 3.49Å; T98-I100 PolarHBondContact O-N 3.05Å; I100-A102 VanDerWaalsContact C-N 3.29Å; I100-A102 PolarHBondContact O-N 2.86Å; I100-K103 PolarHBondContact O-N 2.85Å; I100-D104 WeakPolarHBondContact O-CB 3.27Å; I100-D104 VanDerWaalsContact O-CG 3.26Å; I100-D104 PolarHBondContact O-N 3.46Å
101Q98.5Very high97.2Very high5 Ų539.3 Ų39.32%0.02318%0.184CC..Hα-helixtrans-56.4-42.9176.3-66.5171.917.200112D71 V74 F95 P96 T98 D104 I105D71-Q101 HydrophobicContact CB-CG 4.32Å; D71-Q101 VanDerWaalsContact OD1-CG 3.31Å; D71-Q101 WeakPolarHBondContact OD1-CG 3.23Å; D71-Q101 PolarHBondContact OD1-NE2 2.79Å; V74-Q101 HydrophobicContact CG1-CG 4.33Å; F95-Q101 HydrophobicContact CD2-CB 4.38Å; F95-Q101 HydrophobicContact CD2-CG 4.32Å; F95-Q101 VanDerWaalsContact CD2-OE1 3.31Å; F95-Q101 HydrophobicContact CE2-CB 3.67Å; F95-Q101 HydrophobicContact CE2-CG 3.6Å; F95-Q101 HydrophobicContact CZ-CB 3.89Å; F95-Q101 HydrophobicContact CZ-CG 4.24Å; P96-Q101 HydrophobicContact CB-CB 3.48Å; P96-Q101 VanDerWaalsContact CB-CB 3.48Å; T98-Q101 PolarHBondContact O-N 2.94Å; T98-Q101 VanDerWaalsContact OG1-CG 3.27Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.27Å; T98-Q101 PolarHBondContact OG1-N 3.29Å; Q101-D104 PolarHBondContact O-N 3.18Å; Q101-I105 WeakPolarHBondContact O-CG2 3.41Å; Q101-I105 PolarHBondContact O-N 2.98Å
102A98.5Very high97.1Very high0 Ų041.2 Ų41.20%020%0.196CC..Hα-helixtrans-63.8-43.718000000112.6P96 T98 M99 I100 I105 Q106 L186 Y189 Y190P96-A102 HydrophobicContact CB-CB 4.06Å; P96-A102 HydrophobicContact CG-CB 3.87Å; T98-A102 PolarHBondContact O-N 3.3Å; M99-A102 PolarHBondContact O-N 3.32Å; I100-A102 VanDerWaalsContact C-N 3.29Å; I100-A102 PolarHBondContact O-N 2.86Å; A102-I105 WeakPolarHBondContact O-CG2 3.22Å; A102-Q106 VanDerWaalsContact O-CB 3.27Å; A102-Q106 WeakPolarHBondContact O-CB 3.35Å; A102-Q106 PolarHBondContact O-N 3.49Å; A102-L186 HydrophobicContact CB-CD2 3.6Å; A102-Y189 HydrophobicContact CB-CD1 4.16Å; A102-Y189 HydrophobicContact CB-CE1 4.03Å; A102-Y190 HydrophobicContact CB-CE2 4.45Å
103K98.1Very high97.1Very high107 Ų10741.1 Ų41.147%0.46520%0.195SC..Hα-helixtrans-66.7-37.5174.9-71.8175.2178.7-179.80111.9M99 I100 R107 Y189M99-K103 HydrophobicContact CG-CD 4.31Å; M99-K103 WeakPolarHBondContact O-CG 3.38Å; M99-K103 PolarHBondContact O-N 3.46Å; M99-K103 HydrophobicContact SD-CG 4.48Å; I100-K103 PolarHBondContact O-N 2.85Å; K103-R107 VanDerWaalsContact O-CG 3.27Å; K103-R107 WeakPolarHBondContact O-CG 3.42Å; K103-R107 PolarHBondContact O-N 3.3Å; K103-R107 PolarHBondContact O-NE 3.01Å; K103-Y189 HydrophobicContact CG-CE2 4.48Å
104D97.5Very high97.1Very high29 Ų2940.8 Ų40.816%0.15519%0.194CC..Hα-helixtrans-67.7-46.4-179.7-72.1-14.8000112.3T75 I100 Q101 R107 Q108T75-D104 HydrophobicContact CG2-CB 3.7Å; I100-D104 WeakPolarHBondContact O-CB 3.27Å; I100-D104 VanDerWaalsContact O-CG 3.26Å; I100-D104 PolarHBondContact O-N 3.46Å; Q101-D104 PolarHBondContact O-N 3.18Å; D104-R107 PolarHBondContact O-N 2.91Å; D104-R107 IonicContact OD1-CZ 2.73Å; D104-R107 IonicContact OD1-NH2 3.05Å; D104-R107 PolarHBondContact OD1-NH2 3.19Å; D104-Q108 PolarHBondContact O-N 3.29Å; D104-Q108 PolarHBondContact O-NE2 3.25Å
105I96.6Very high97.2Very high0 Ų040.3 Ų40.30%019%0.189CC..Hα-helixtrans-68.4-40.2176.9-166.8165.9000111.6I79 I92 F95 P96 Q101 A102 R107 Q108 L109 I111I79-I105 HydrophobicContact CD1-CB 4.15Å; I79-I105 HydrophobicContact CD1-CD1 4.47Å; I79-I105 HydrophobicContact CD1-CG1 3.89Å; I92-I105 HydrophobicContact CD1-CD1 3.64Å; F95-I105 HydrophobicContact CD1-CD1 3.99Å; F95-I105 HydrophobicContact CE1-CB 3.93Å; F95-I105 HydrophobicContact CE1-CD1 3.67Å; F95-I105 HydrophobicContact CE1-CG1 4.29Å; F95-I105 HydrophobicContact CE1-CG2 4.32Å; P96-I105 HydrophobicContact CG-CG2 4.23Å; Q101-I105 WeakPolarHBondContact O-CG2 3.41Å; Q101-I105 PolarHBondContact O-N 2.98Å; A102-I105 WeakPolarHBondContact O-CG2 3.22Å; I105-R107 PolarHBondContact O-N 3.23Å; I105-Q108 PolarHBondContact O-N 2.65Å; I105-L109 HydrophobicContact CG1-CB 4.19Å; I105-L109 CarbonylContact O-C 3.56Å; I105-L109 WeakPolarHBondContact O-CA 3.4Å; I105-L109 PolarHBondContact O-N 3.3Å; I105-L109 VanDerWaalsContact O-O 3.05Å; I105-I111 HydrophobicContact CD1-CD1 3.78Å; I105-I111 HydrophobicContact CG1-CD1 4.02Å; I105-I111 HydrophobicContact CG1-CG1 4.42Å; I105-I111 HydrophobicContact CG2-CG1 4.17Å
106Q96.4Very high97.2Very high36 Ų3640.3 Ų40.317%0.16819%0.189CC..Hα-helixtrans-61.2-32.4178.7-164.364.121.900112.3A102 P110 I111A102-Q106 VanDerWaalsContact O-CB 3.27Å; A102-Q106 WeakPolarHBondContact O-CB 3.35Å; A102-Q106 PolarHBondContact O-N 3.49Å; Q106-P110 WeakPolarHBondContact O-CA 3.17Å; Q106-P110 WeakPolarHBondContact O-CG 3.37Å; Q106-I111 PolarHBondContact NE2-O 3.39Å; Q106-I111 VanDerWaalsContact OE1-CB 3.32Å
107R95.9Very high97.2Very high187 Ų18740.1 Ų40.171%0.70619%0.188SC*.Hα-helixtrans-73.9-39.5176.9-75.3-174.3-65.6177.81.4113.5K103 D104 I105K103-R107 VanDerWaalsContact O-CG 3.27Å; K103-R107 WeakPolarHBondContact O-CG 3.42Å; K103-R107 PolarHBondContact O-N 3.3Å; K103-R107 PolarHBondContact O-NE 3.01Å; D104-R107 PolarHBondContact O-N 2.91Å; D104-R107 IonicContact OD1-CZ 2.73Å; D104-R107 IonicContact OD1-NH2 3.05Å; D104-R107 PolarHBondContact OD1-NH2 3.19Å; I105-R107 PolarHBondContact O-N 3.23Å
108Q94.2Very high97.1Very high102 Ų10239.4 Ų39.448%0.47719%0.19SC..Hα-helixtrans-94.9-37.4-171.9-68.1177.881.800113I79 D104 I105I79-Q108 HydrophobicContact CD1-CB 4.17Å; D104-Q108 PolarHBondContact O-N 3.29Å; D104-Q108 PolarHBondContact O-NE2 3.25Å; I105-Q108 PolarHBondContact O-N 2.65Å
109L92.8Very high96.8Very high19 Ų1938.8 Ų38.810%0.09919%0.186CC..SBendtrans-140.977.3-177.3-67.8174.6000108.9I79 C82 Q83 I105 I111I79-L109 HydrophobicContact CD1-CD1 3.99Å; I79-L109 HydrophobicContact CD1-CG 4.43Å; I79-L109 HydrophobicContact CG2-CD1 4.36Å; C82-L109 HydrophobicContact CB-CD1 3.35Å; Q83-L109 HydrophobicContact CG-CD1 4.32Å; Q83-L109 HydrophobicContact CG-CD2 4.42Å; I105-L109 HydrophobicContact CG1-CB 4.19Å; I105-L109 CarbonylContact O-C 3.56Å; I105-L109 WeakPolarHBondContact O-CA 3.4Å; I105-L109 PolarHBondContact O-N 3.3Å; I105-L109 VanDerWaalsContact O-O 3.05Å; L109-I111 PolarHBondContact O-N 3.17Å
110P94.4Very high96.3Very high58 Ų5839.1 Ų39.138%0.37719%0.193SC..  trans-52.1123.3-170.1-27.533.1000112.9R12 Q106R12-P110 VanDerWaalsContact CZ-O 3.27Å; R12-P110 PolarHBondContact NE-O 3.1Å; R12-P110 PolarHBondContact NH2-O 2.93Å; Q106-P110 WeakPolarHBondContact O-CA 3.17Å; Q106-P110 WeakPolarHBondContact O-CG 3.37Å
111I97.1Very high95.6Very high5 Ų537.9 Ų37.93%0.02618%0.184CC..  trans-75.2136.5177.1-56.7-53.8000108.9R12 V14 I92 I105 Q106 L109 C113 V114 I195R12-I111 HydrophobicContact CB-CD1 4.17Å; R12-I111 WeakPolarHBondContact O-CG2 3.48Å; V14-I111 HydrophobicContact CB-CG2 4.31Å; V14-I111 HydrophobicContact CG2-CD1 3.72Å; V14-I111 HydrophobicContact CG2-CG1 3.86Å; V14-I111 HydrophobicContact CG2-CG2 3.83Å; I92-I111 HydrophobicContact CD1-CD1 4.1Å; I105-I111 HydrophobicContact CD1-CD1 3.78Å; I105-I111 HydrophobicContact CG1-CD1 4.02Å; I105-I111 HydrophobicContact CG1-CG1 4.42Å; I105-I111 HydrophobicContact CG2-CG1 4.17Å; Q106-I111 PolarHBondContact NE2-O 3.39Å; Q106-I111 VanDerWaalsContact OE1-CB 3.32Å; L109-I111 PolarHBondContact O-N 3.17Å; I111-C113 WeakPolarHBondContact CG2-O 3.44Å; I111-V114 HydrophobicContact CG2-CG2 3.79Å; I111-I195 HydrophobicContact CB-CD1 4.44Å; I111-I195 HydrophobicContact CG2-CD1 4.33Å; I111-I195 WeakPolarHBondContact O-CD1 3.47Å
112T96.7Very high94.8Very high40 Ų4044.3 Ų44.325%0.24521%0.214CC..  trans-106.1-23.5-175.555.70000113R12 I195R12-T112 PolarHBondContact N-OG1 2.93Å; R12-T112 PolarHBondContact O-N 2.82Å; R12-T112 PolarHBondContact O-OG1 3.34Å; T112-I195 WeakPolarHBondContact O-CG2 3.35Å
113C97.4Very high94Very high0 Ų047.3 Ų47.30%023%0.228CC..EExtended strand (participates in β ladder)trans-150.8138.5-177.9-176.70000109.7R12 A13 V14 I111 I195 F218R12-C113 PolarHBondContact O-N 2.97Å; A13-C113 CarbonylContact C-O 3.59Å; A13-C113 WeakPolarHBondContact CA-O 3.27Å; A13-C113 HydrophobicContact CB-CB 4.33Å; V14-C113 PolarHBondContact N-O 3.31Å; I111-C113 WeakPolarHBondContact CG2-O 3.44Å; C113-I195 CarbonylContact C-O 3.45Å; C113-F218 HydrophobicContact CB-CD1 3.92Å; C113-F218 HydrophobicContact CB-CD2 4.46Å; C113-F218 HydrophobicContact CB-CE1 3.79Å; C113-F218 HydrophobicContact CB-CE2 4.35Å; C113-F218 HydrophobicContact CB-CG 4.26Å; C113-F218 HydrophobicContact CB-CZ 4.02Å
114V98.7Very high93.5Very high0 Ų042.2 Ų42.20%021%0.206CC..EExtended strand (participates in β ladder)trans-125.8118.6174.1-177.30000108.5V14 I16 I111 Y190 I195 L196 H197V14-V114 HydrophobicContact CB-CG1 4.49Å; V14-V114 HydrophobicContact CB-CG2 4.31Å; V14-V114 CarbonylContact O-C 3.56Å; V14-V114 WeakPolarHBondContact O-CA 3.43Å; I16-V114 HydrophobicContact CD1-CG1 3.64Å; I16-V114 HydrophobicContact CG1-CG1 3.91Å; I111-V114 HydrophobicContact CG2-CG2 3.79Å; V114-Y190 HydrophobicContact CB-CD2 4.47Å; V114-Y190 HydrophobicContact CB-CG 4.38Å; V114-Y190 HydrophobicContact CG1-CD2 4.1Å; V114-Y190 HydrophobicContact CG1-CG 4.47Å; V114-Y190 HydrophobicContact CG2-CD1 3.75Å; V114-Y190 HydrophobicContact CG2-CD2 3.87Å; V114-Y190 HydrophobicContact CG2-CE1 4.05Å; V114-Y190 HydrophobicContact CG2-CE2 4.16Å; V114-Y190 HydrophobicContact CG2-CG 3.64Å; V114-I195 HydrophobicContact CG2-CD1 4.26Å; V114-I195 HydrophobicContact CG2-CG1 4.28Å; V114-I195 PolarHBondContact N-O 3.4Å; V114-L196 HydrophobicContact CB-CD1 4.13Å; V114-L196 HydrophobicContact CG1-CD1 3.79Å; V114-H197 PolarHBondContact O-N 3.06Å
115L98.8Very high92.7Very high0 Ų043.2 Ų43.20%021%0.211CC..EExtended strand (participates in β ladder)trans-98.6118.4177.2-54.3174.6000108.3V14 I15 I16 L30 F199 V211 I214 F215V14-L115 PolarHBondContact O-N 3.16Å; I15-L115 CarbonylContact C-O 3.53Å; I15-L115 VanDerWaalsContact CA-O 3.29Å; I15-L115 WeakPolarHBondContact CA-O 3.44Å; I15-L115 HydrophobicContact CG1-CB 4.31Å; I16-L115 PolarHBondContact N-O 3.18Å; L30-L115 HydrophobicContact CD1-CD1 3.71Å; L115-F199 HydrophobicContact CB-CE2 4Å; L115-F199 HydrophobicContact CD2-CE2 3.68Å; L115-F199 HydrophobicContact CD2-CZ 3.93Å; L115-F199 HydrophobicContact CG-CE2 4.43Å; L115-V211 HydrophobicContact CD1-CG1 4.23Å; L115-I214 HydrophobicContact CD2-CG2 4.49Å; L115-F215 HydrophobicContact CD1-CD2 3.94Å; L115-F215 HydrophobicContact CD1-CE2 4.42Å; L115-F215 HydrophobicContact CD2-CD2 4.47Å
116C98.5Very high91.9Very high1 Ų147.7 Ų47.71%0.00723%0.234CC..EExtended strand (participates in β ladder)trans-111116.5178.6-178.90000110.9I16 D118 L187 L196 H197 V198 F199I16-C116 CarbonylContact O-C 3.56Å; I16-C116 WeakPolarHBondContact O-CA 3.3Å; C116-D118 PolarHBondContact O-N 3.26Å; C116-L187 HydrophobicContact CB-CD2 3.98Å; C116-L196 HydrophobicContact CB-CD1 3.8Å; C116-H197 PolarHBondContact N-O 3.4Å; C116-V198 HydrophobicContact CB-CG2 4.22Å; C116-F199 WeakPolarHBondContact O-CD2 3.24Å; C116-F199 PolarHBondContact O-N 3.19Å
117L97.9Very high91.4Very high0 Ų047 Ų470%023%0.23CC..EExtended strand (participates in β ladder)trans-86.2107.6170.8-52.7-172.6000109.2I15 I16 G17 P18 K23 I26 F199 L207 V211I15-L117 HydrophobicContact CD1-CD1 4.14Å; I15-L117 HydrophobicContact CD1-CG 4.25Å; I15-L117 HydrophobicContact CG1-CG 4.47Å; I16-L117 PolarHBondContact O-N 3.46Å; G17-L117 WeakPolarHBondContact CA-O 3.5Å; P18-L117 WeakPolarHBondContact CD-O 3.47Å; K23-L117 HydrophobicContact CG-CD1 4Å; I26-L117 HydrophobicContact CB-CD1 4.23Å; I26-L117 HydrophobicContact CG1-CD1 3.85Å; L117-F199 HydrophobicContact CD2-CB 4.35Å; L117-F199 HydrophobicContact CD2-CD2 4.28Å; L117-L207 HydrophobicContact CD1-CD1 4.5Å; L117-L207 HydrophobicContact CD2-CD1 4.36Å; L117-V211 HydrophobicContact CD2-CG2 3.94Å
118D95.5Very high90.9Very high69 Ų6938.1 Ų38.137%0.36920%0.197SC..EExtended strand (participates in β ladder)trans-94.999.4175.6-175.123.1000109.8C116 V198 F199 H200 G201C116-D118 PolarHBondContact O-N 3.26Å; D118-V198 HydrophobicContact CB-CG1 3.94Å; D118-F199 PolarHBondContact N-O 3.28Å; D118-H200 IonicContact OD2-CE1 3.24Å; D118-H200 PolarHBondContact OD2-CE1 2.95Å; D118-H200 IonicContact OD2-ND1 2.68Å; D118-H200 PolarHBondContact OD2-ND1 3.41Å; D118-G201 PolarHBondContact O-N 2.94Å
119V92.6Very high90.4Very high1 Ų136.7 Ų36.71%0.00620%0.198CC..  trans-117.8130.8-177-179.90000108.4E123 I124 G201 L207V119-E123 HydrophobicContact CG1-CB 4.12Å; V119-I124 HydrophobicContact CG1-CG1 4.32Å; V119-G201 WeakPolarHBondContact CG2-O 3.29Å; V119-L207 HydrophobicContact CG2-CD1 4.07Å
120P88.7Confident90.2Very high66 Ų6636.1 Ų36.143%0.42920%0.197SC..  trans-54.6140.2179.5-27.435.1000113.5E122 E123P120-E122 VanDerWaalsContact C-N 3.29Å; P120-E122 PolarHBondContact O-N 3.01Å; P120-E123 HydrophobicContact CB-CG 4.4Å; P120-E123 WeakPolarHBondContact O-CB 3.33Å; P120-E123 PolarHBondContact O-N 3.31Å; P120-E123 VanDerWaalsContact O-N 3.14Å
121F82.5Confident90.1Very high71 Ų7134.6 Ų34.631%0.31118%0.184SC..Hα-helixtrans-58.4-36.6-177.6-82.1-89.6000113.8E123 I124 L176 Y179 Q180F121-E123 VanDerWaalsContact C-N 3.26Å; F121-E123 PolarHBondContact O-N 3.4Å; F121-I124 WeakPolarHBondContact O-CB 3.44Å; F121-I124 PolarHBondContact O-N 3.02Å; F121-I124 VanDerWaalsContact O-N 3.1Å; F121-L176 HydrophobicContact CD1-CB 4.4Å; F121-L176 HydrophobicContact CD1-CD1 4.29Å; F121-L176 HydrophobicContact CD1-CD2 3.77Å; F121-L176 HydrophobicContact CD1-CG 4.37Å; F121-L176 HydrophobicContact CE1-CB 4.05Å; F121-L176 HydrophobicContact CE1-CD2 3.63Å; F121-L176 HydrophobicContact CE1-CG 4.31Å; F121-Y179 HydrophobicContact CZ-CD1 4.29Å; F121-Q180 HydrophobicContact CE1-CG 4.06Å; F121-Q180 HydrophobicContact CE2-CG 4.49Å; F121-Q180 HydrophobicContact CZ-CG 3.57Å
122E81.2Confident89.9Confident139 Ų13936.1 Ų36.165%0.6519%0.189SC*.Hα-helixtrans-65.1-30.3-179.8-62.1-54147.100112.9P120 I124 N126P120-E122 VanDerWaalsContact C-N 3.29Å; P120-E122 PolarHBondContact O-N 3.01Å; E122-I124 VanDerWaalsContact C-N 3.27Å; E122-I124 PolarHBondContact O-N 3.45Å; E122-N126 PolarHBondContact O-ND2 2.9Å
123E83.2Confident89.8Confident63 Ų6334.2 Ų34.229%0.29418%0.178SC..Hα-helixtrans-70.7-26.3175.8-73.1-66.3131.500112.3V119 P120 F121 R127 C202V119-E123 HydrophobicContact CG1-CB 4.12Å; P120-E123 HydrophobicContact CB-CG 4.4Å; P120-E123 WeakPolarHBondContact O-CB 3.33Å; P120-E123 PolarHBondContact O-N 3.31Å; P120-E123 VanDerWaalsContact O-N 3.14Å; F121-E123 VanDerWaalsContact C-N 3.26Å; F121-E123 PolarHBondContact O-N 3.4Å; E123-R127 VanDerWaalsContact O-CD 3.25Å; E123-R127 WeakPolarHBondContact O-CD 3.44Å; E123-R127 WeakPolarHBondContact O-CG 3.45Å; E123-R127 PolarHBondContact O-N 3.41Å; E123-R127 PolarHBondContact O-NE 2.93Å; E123-R127 IonicContact OE2-CZ 3.8Å; E123-R127 IonicContact OE2-NE 2.83Å; E123-R127 IonicContact OE2-NH2 3.97Å; E123-R127 PolarHBondContact OE2-NH2 3.17Å; E123-C202 HydrophobicContact CG-CB 4.49Å
124I86.3Confident89.6Confident0 Ų034.4 Ų34.40%018%0.179CC..Hα-helixtrans-75.9-46.8-169.8-71.2172.6000112.4P18 P19 V119 F121 E122 N126 R127 I128 L176P18-I124 HydrophobicContact CB-CD1 3.57Å; P18-I124 HydrophobicContact CG-CD1 3.29Å; P19-I124 WeakPolarHBondContact O-CG2 3.33Å; V119-I124 HydrophobicContact CG1-CG1 4.32Å; F121-I124 WeakPolarHBondContact O-CB 3.44Å; F121-I124 PolarHBondContact O-N 3.02Å; F121-I124 VanDerWaalsContact O-N 3.1Å; E122-I124 VanDerWaalsContact C-N 3.27Å; E122-I124 PolarHBondContact O-N 3.45Å; I124-N126 VanDerWaalsContact C-N 3.28Å; I124-N126 PolarHBondContact O-N 3.49Å; I124-R127 WeakPolarHBondContact O-CB 3.2Å; I124-R127 PolarHBondContact O-N 3.41Å; I124-I128 HydrophobicContact CG2-CD1 3.56Å; I124-I128 HydrophobicContact CG2-CG1 4.29Å; I124-I128 WeakPolarHBondContact O-CG1 3.16Å; I124-I128 PolarHBondContact O-N 3.44Å; I124-L176 HydrophobicContact CD1-CD2 4.1Å; I124-L176 HydrophobicContact CG2-CD1 4.21Å; I124-L176 HydrophobicContact CG2-CD2 3.91Å
125I81.6Confident89.1Confident51 Ų5136.1 Ų36.126%0.26219%0.188SC..Hα-helixtrans-60.3-44.4-174-65176.7000109.7R127 I128 S129 L176I125-R127 VanDerWaalsContact C-N 3.28Å; I125-R127 PolarHBondContact O-N 2.61Å; I125-I128 PolarHBondContact O-N 2.89Å; I125-S129 PolarHBondContact O-N 3.17Å; I125-L176 HydrophobicContact CG1-CD1 4.18Å
126N79Confident88.6Confident93 Ų9340.6 Ų40.650%0.49722%0.216SC..Hα-helixtrans-64.9-28.1177.4-70.9-41.3000113.6E122 I124 S129E122-N126 PolarHBondContact O-ND2 2.9Å; I124-N126 VanDerWaalsContact C-N 3.28Å; I124-N126 PolarHBondContact O-N 3.49Å; N126-S129 PolarHBondContact O-OG 2.74Å
127R85.8Confident88.2Confident22 Ų2242.1 Ų42.18%0.08323%0.227CC..Hα-helixtrans-79.7-33.8177.5-74.8169.1-166.5-166.85.3113.2E123 I124 I125 N142 F145 C202E123-R127 VanDerWaalsContact O-CD 3.25Å; E123-R127 WeakPolarHBondContact O-CD 3.44Å; E123-R127 WeakPolarHBondContact O-CG 3.45Å; E123-R127 PolarHBondContact O-N 3.41Å; E123-R127 PolarHBondContact O-NE 2.93Å; E123-R127 IonicContact OE2-CZ 3.8Å; E123-R127 IonicContact OE2-NE 2.83Å; E123-R127 IonicContact OE2-NH2 3.97Å; E123-R127 PolarHBondContact OE2-NH2 3.17Å; I124-R127 WeakPolarHBondContact O-CB 3.2Å; I124-R127 PolarHBondContact O-N 3.41Å; I125-R127 VanDerWaalsContact C-N 3.28Å; I125-R127 PolarHBondContact O-N 2.61Å; R127-N142 PolarHBondContact O-ND2 2.9Å; R127-F145 HydrophobicContact CB-CE2 4.34Å; R127-F145 HydrophobicContact CG-CD2 3.68Å; R127-F145 HydrophobicContact CG-CE2 3.41Å; R127-F145 VanDerWaalsContact CG-CE2 3.41Å; R127-F145 HydrophobicContact CG-CG 4.47Å; R127-F145 HydrophobicContact CG-CZ 3.97Å; R127-C202 PolarHBondContact NH1-O 3.48Å; R127-C202 PolarHBondContact NH2-O 3.43Å
128I87.4Confident87.8Confident1 Ų142.3 Ų42.31%0.00523%0.229CC..Hα-helixtrans-75.7-39.9-177.5-62.8168.6000110.3P19 I124 I125 G130 R131 D167 V172P19-I128 HydrophobicContact CB-CD1 4.05Å; I124-I128 HydrophobicContact CG2-CD1 3.56Å; I124-I128 HydrophobicContact CG2-CG1 4.29Å; I124-I128 WeakPolarHBondContact O-CG1 3.16Å; I124-I128 PolarHBondContact O-N 3.44Å; I125-I128 PolarHBondContact O-N 2.89Å; I128-G130 PolarHBondContact O-N 3.31Å; I128-G130 VanDerWaalsContact O-N 3.13Å; I128-R131 VanDerWaalsContact O-CB 3.29Å; I128-R131 WeakPolarHBondContact O-CB 3.38Å; I128-R131 PolarHBondContact O-N 2.82Å; I128-D167 HydrophobicContact CG2-CB 3.61Å; I128-D167 VanDerWaalsContact CG2-CG 3.42Å; I128-D167 VanDerWaalsContact CG2-OD1 3.22Å; I128-D167 WeakPolarHBondContact CG2-OD1 3.48Å; I128-V172 HydrophobicContact CB-CG1 4.41Å; I128-V172 HydrophobicContact CB-CG2 4.04Å; I128-V172 HydrophobicContact CD1-CB 4.41Å; I128-V172 HydrophobicContact CD1-CG1 3.49Å; I128-V172 VanDerWaalsContact CD1-CG1 3.49Å; I128-V172 HydrophobicContact CD1-CG2 4.05Å; I128-V172 HydrophobicContact CG2-CG2 3.37Å
129S83Confident87.6Confident71 Ų7141.7 Ų41.750%0.49722%0.222SC..Hα-helixtrans-59.5-27.4-178.961.30000114.2I125 N126 R163I125-S129 PolarHBondContact O-N 3.17Å; N126-S129 PolarHBondContact O-OG 2.74Å; S129-R163 PolarHBondContact O-NH1 2.83Å
130G87.3Confident87.6Confident7 Ų742.6 Ų42.67%0.07223%0.228CC..THydrogen-bonded Turntrans-96.76.6176.100000114.9I128 N142 D143I128-G130 PolarHBondContact O-N 3.31Å; I128-G130 VanDerWaalsContact O-N 3.13Å; G130-N142 VanDerWaalsContact C-ND2 3.32Å; G130-N142 WeakPolarHBondContact CA-ND2 3.3Å; G130-N142 VanDerWaalsContact O-CA 3.26Å; G130-N142 WeakPolarHBondContact O-CA 3.39Å; G130-D143 PolarHBondContact O-N 2.94Å; G130-D143 VanDerWaalsContact O-N 3.17Å
131R93Very high87.8Confident27 Ų2740.1 Ų40.110%0.10221%0.21CC..EExtended strand (participates in β ladder)trans-73.4136.9-171.1-176.3-177.4-67.1132.31.5112.5G20 I128 Y141 D167G20-R131 VanDerWaalsContact CA-NH2 3.31Å; I128-R131 VanDerWaalsContact O-CB 3.29Å; I128-R131 WeakPolarHBondContact O-CB 3.38Å; I128-R131 PolarHBondContact O-N 2.82Å; R131-Y141 CarbonylContact C-O 3.55Å; R131-Y141 WeakPolarHBondContact CA-O 3.39Å; R131-D167 WeakPolarHBondContact CD-OD2 3.33Å; R131-D167 IonicContact NH1-OD1 3.01Å; R131-D167 PolarHBondContact NH1-OD1 2.83Å; R131-D167 IonicContact NH1-OD2 3.23Å; R131-D167 PolarHBondContact NH1-OD2 2.95Å
132Y94.1Very high88.2Confident36 Ų3637.3 Ų37.314%0.14120%0.198CC..EExtended strand (participates in β ladder)trans-116.7149.7161-71.2-85.4000110.4T140 Y141 D143 L161 I162 R163Y132-T140 CarbonylContact O-C 3.59Å; Y132-T140 VanDerWaalsContact O-CA 3.28Å; Y132-T140 WeakPolarHBondContact O-CA 3.35Å; Y132-Y141 PolarHBondContact N-O 3.29Å; Y132-Y141 PolarHBondContact O-N 3.09Å; Y132-D143 VanDerWaalsContact CE2-OD1 3.29Å; Y132-D143 WeakPolarHBondContact CE2-OD1 3.43Å; Y132-L161 HydrophobicContact CD1-CB 4.09Å; Y132-L161 HydrophobicContact CG-CB 4.4Å; Y132-L161 HydrophobicContact CG-CD1 4.49Å; Y132-I162 CarbonylContact C-O 3.54Å; Y132-I162 WeakPolarHBondContact CA-O 3.13Å; Y132-R163 HydrophobicContact CD1-CG 4.08Å; Y132-R163 HydrophobicContact CE1-CG 3.89Å; Y132-R163 VanDerWaalsContact CE2-NH2 3.31Å; Y132-R163 VanDerWaalsContact CZ-NH2 3.26Å; Y132-R163 PolarHBondContact OH-NE 3.34Å; Y132-R163 PolarHBondContact OH-NH2 3.09Å
133T93.9Very high88.4Confident1 Ų134.1 Ų34.11%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-133134.7177.7-54.40000110.3R139 T140 I162 R164T133-R139 WeakPolarHBondContact CA-O 3.25Å; T133-T140 HydrophobicContact CG2-CG2 4.41Å; T133-I162 PolarHBondContact N-O 3.13Å; T133-I162 PolarHBondContact O-N 2.88Å; T133-R164 PolarHBondContact OG1-NE 3.48Å
134H93.5Very high88.5Confident4 Ų439.2 Ų39.22%0.01921%0.206CC..  trans-87.499163.4-176.8-131.1000109.4P136 S137 G138 R139 D154 T157 E159 L161H134-P136 WeakPolarHBondContact NE2-CD 3.28Å; H134-S137 WeakPolarHBondContact CB-OG 3.45Å; H134-S137 WeakPolarHBondContact ND1-CB 3.46Å; H134-S137 PolarHBondContact ND1-OG 3.16Å; H134-S137 PolarHBondContact O-N 3.45Å; H134-S137 VanDerWaalsContact O-N 3.13Å; H134-S137 PolarHBondContact O-OG 2.97Å; H134-G138 PolarHBondContact O-N 3.3Å; H134-R139 HydrophobicContact CB-CB 4.41Å; H134-R139 PolarHBondContact N-O 2.98Å; H134-D154 HydrophobicContact CB-CB 3.95Å; H134-D154 IonicContact CG-OD1 3.75Å; H134-D154 IonicContact ND1-OD1 2.84Å; H134-D154 IonicContact ND1-OD2 3.47Å; H134-T157 PolarHBondContact CE1-OG1 2.92Å; H134-E159 IonicContact CE1-OE2 2.65Å; H134-E159 PolarHBondContact CE1-OE2 2.84Å; H134-E159 VanDerWaalsContact NE2-CB 3.34Å; H134-E159 WeakPolarHBondContact NE2-CB 3.37Å; H134-E159 IonicContact NE2-OE2 3.7Å; H134-E159 PolarHBondContact NE2-OE2 3.46Å; H134-L161 HydrophobicContact CB-CD2 3.57Å
135L88.4Confident88.3Confident36 Ų3643 Ų4319%0.18822%0.223CC..THydrogen-bonded Turntrans-50.9-51.6-170.6-82.5177.3000114.4V50 S137 G138 I162V50-L135 HydrophobicContact CG2-CD1 4Å; L135-S137 PolarHBondContact O-N 2.83Å; L135-S137 VanDerWaalsContact O-N 3.16Å; L135-G138 PolarHBondContact O-N 2.65Å; L135-I162 HydrophobicContact CD1-CD1 3.42Å; L135-I162 VanDerWaalsContact CD1-CD1 3.42Å; L135-I162 HydrophobicContact CD1-CG1 4.17Å; L135-I162 HydrophobicContact CD2-CD1 3.99Å; L135-I162 HydrophobicContact CG-CD1 3.55Å; L135-I162 HydrophobicContact CG-CG1 3.92Å
136P88.6Confident88.4Confident93 Ų9344.2 Ų44.260%0.60423%0.23SC*.THydrogen-bonded Turntrans-56.6-33.6-179.2-27.133.7000114.4H134H134-P136 WeakPolarHBondContact NE2-CD 3.28Å
137S89.6Confident88.9Confident33 Ų3343.2 Ų43.223%0.23123%0.229CC..THydrogen-bonded Turntrans-104.1-14.5-174.274.10000115.3H134 L135 R139H134-S137 WeakPolarHBondContact CB-OG 3.45Å; H134-S137 WeakPolarHBondContact ND1-CB 3.46Å; H134-S137 PolarHBondContact ND1-OG 3.16Å; H134-S137 PolarHBondContact O-N 3.45Å; H134-S137 VanDerWaalsContact O-N 3.13Å; H134-S137 PolarHBondContact O-OG 2.97Å; L135-S137 PolarHBondContact O-N 2.83Å; L135-S137 VanDerWaalsContact O-N 3.16Å; S137-R139 PolarHBondContact O-N 2.94Å; S137-R139 VanDerWaalsContact O-N 3.17Å; S137-R139 WeakPolarHBondContact OG-CB 3.27Å; S137-R139 VanDerWaalsContact OG-CZ 3.22Å; S137-R139 PolarHBondContact OG-N 2.66Å; S137-R139 VanDerWaalsContact OG-N 3.17Å; S137-R139 PolarHBondContact OG-NE 2.83Å; S137-R139 PolarHBondContact OG-NH2 3.06Å
138G88.3Confident89.3Confident5 Ų543 Ų435%0.05223%0.23CC..  trans70.3-3.6-170.600000115.4H134 L135 T140H134-G138 PolarHBondContact O-N 3.3Å; L135-G138 PolarHBondContact O-N 2.65Å; G138-T140 PolarHBondContact O-N 3.35Å
139R92.4Very high89.6Confident55 Ų5552 Ų5221%0.20827%0.269CS..  trans-56.4134.6176.6-80.7-177.1-66.5-850.4110.9L28 T133 H134 S137 Y141 D154L28-R139 HydrophobicContact CD1-CB 4.36Å; L28-R139 HydrophobicContact CD1-CG 3.6Å; T133-R139 WeakPolarHBondContact CA-O 3.25Å; H134-R139 HydrophobicContact CB-CB 4.41Å; H134-R139 PolarHBondContact N-O 2.98Å; S137-R139 PolarHBondContact O-N 2.94Å; S137-R139 VanDerWaalsContact O-N 3.17Å; S137-R139 WeakPolarHBondContact OG-CB 3.27Å; S137-R139 VanDerWaalsContact OG-CZ 3.22Å; S137-R139 PolarHBondContact OG-N 2.66Å; S137-R139 VanDerWaalsContact OG-N 3.17Å; S137-R139 PolarHBondContact OG-NE 2.83Å; S137-R139 PolarHBondContact OG-NH2 3.06Å; R139-Y141 HydrophobicContact CB-CE2 4.12Å; R139-D154 IonicContact CZ-OD1 3.71Å; R139-D154 IonicContact CZ-OD2 3.31Å; R139-D154 VanDerWaalsContact CZ-OD2 3.31Å; R139-D154 IonicContact NE-OD1 2.82Å; R139-D154 PolarHBondContact NE-OD1 3.02Å; R139-D154 IonicContact NE-OD2 3.09Å; R139-D154 PolarHBondContact NE-OD2 3.32Å; R139-D154 VanDerWaalsContact NE-OD2 3.09Å; R139-D154 IonicContact NH2-OD1 3.91Å; R139-D154 IonicContact NH2-OD2 3.7Å; R139-D154 PolarHBondContact NH2-OD2 3.19Å
140T92.3Very high90.2Very high21 Ų2156.6 Ų56.613%0.12928%0.276CS..EExtended strand (participates in β ladder)trans-117.1138.5179.958.80000111.3A24 Y132 T133 G138 N146A24-T140 HydrophobicContact CB-CG2 4.45Å; Y132-T140 CarbonylContact O-C 3.59Å; Y132-T140 VanDerWaalsContact O-CA 3.28Å; Y132-T140 WeakPolarHBondContact O-CA 3.35Å; T133-T140 HydrophobicContact CG2-CG2 4.41Å; G138-T140 PolarHBondContact O-N 3.35Å; T140-N146 PolarHBondContact O-ND2 3.33Å
141Y92Very high90.6Very high13 Ų1364.3 Ų64.35%0.05131%0.307CS..EExtended strand (participates in β ladder)trans-121.4162.8175.1-58.2-94.2000108.6R131 Y132 R139 N146 P148 D154 D155 L161R131-Y141 CarbonylContact C-O 3.55Å; R131-Y141 WeakPolarHBondContact CA-O 3.39Å; Y132-Y141 PolarHBondContact N-O 3.29Å; Y132-Y141 PolarHBondContact O-N 3.09Å; R139-Y141 HydrophobicContact CB-CE2 4.12Å; Y141-N146 CarbonylContact C-O 3.51Å; Y141-N146 WeakPolarHBondContact CA-O 3.37Å; Y141-N146 WeakPolarHBondContact CB-O 3.42Å; Y141-P148 HydrophobicContact CD1-CB 3.75Å; Y141-P148 HydrophobicContact CE1-CB 4.12Å; Y141-P148 HydrophobicContact CG-CB 4.12Å; Y141-D154 HydrophobicContact CE2-CB 4.49Å; Y141-D154 VanDerWaalsContact CE2-OD1 3.24Å; Y141-D154 WeakPolarHBondContact CE2-OD1 3.22Å; Y141-D154 PolarHBondContact OH-OD1 2.7Å; Y141-D155 HydrophobicContact CE1-CB 4.19Å; Y141-D155 WeakPolarHBondContact CE1-OD2 3.22Å; Y141-D155 PolarHBondContact OH-N 3.14Å; Y141-L161 HydrophobicContact CD2-CD1 3.56Å; Y141-L161 HydrophobicContact CD2-CD2 3.67Å; Y141-L161 HydrophobicContact CD2-CG 4.28Å; Y141-L161 HydrophobicContact CE2-CD1 4.09Å; Y141-L161 HydrophobicContact CE2-CD2 3.66Å; Y141-L161 HydrophobicContact CG-CD1 3.98Å
142N90.9Very high90.7Very high12 Ų1264.1 Ų64.16%0.06431%0.313CS..EExtended strand (participates in β ladder)trans-145.3137.6173.6176.1-75.5000110.4R127 G130 K144 F145 N146 P147R127-N142 PolarHBondContact O-ND2 2.9Å; G130-N142 VanDerWaalsContact C-ND2 3.32Å; G130-N142 WeakPolarHBondContact CA-ND2 3.3Å; G130-N142 VanDerWaalsContact O-CA 3.26Å; G130-N142 WeakPolarHBondContact O-CA 3.39Å; N142-K144 PolarHBondContact O-N 3.48Å; N142-K144 PolarHBondContact OD1-N 2.79Å; N142-F145 HydrophobicContact CB-CB 4.4Å; N142-F145 HydrophobicContact CB-CD2 4.44Å; N142-F145 WeakPolarHBondContact OD1-CD2 3.24Å; N142-F145 PolarHBondContact OD1-N 2.9Å; N142-F145 VanDerWaalsContact OD1-N 3.12Å; N142-N146 PolarHBondContact N-O 3.15Å; N142-N146 CarbonylContact O-C 3.6Å; N142-N146 PolarHBondContact O-N 2.96Å; N142-N146 VanDerWaalsContact O-N 3.16Å; N142-P147 VanDerWaalsContact O-CA 3.27Å; N142-P147 WeakPolarHBondContact O-CA 3.49Å
143D86.5Confident90.8Very high72 Ų7265.3 Ų65.339%0.38532%0.319SS..THydrogen-bonded Turntrans-46.6-36.2-179.4-71.6-50.3000114.8G130 Y132 R163G130-D143 PolarHBondContact O-N 2.94Å; G130-D143 VanDerWaalsContact O-N 3.17Å; Y132-D143 VanDerWaalsContact CE2-OD1 3.29Å; Y132-D143 WeakPolarHBondContact CE2-OD1 3.43Å; D143-R163 IonicContact OD2-CZ 3.35Å; D143-R163 IonicContact OD2-NH2 2.84Å; D143-R163 PolarHBondContact OD2-NH2 3.39Å
144K84.2Confident90.9Very high170 Ų17065.5 Ų65.574%0.73932%0.32SS*.THydrogen-bonded Turntrans-105.7-41.5-173.9-62.7-177.9179.1-179.80113.7N142N142-K144 PolarHBondContact O-N 3.48Å; N142-K144 PolarHBondContact OD1-N 2.79Å
145F81.7Confident91Very high81 Ų8168 Ų6836%0.35533%0.334SS..THydrogen-bonded Turntrans-97.5-27.6-167.7-58.5-78.1000113.9R127 N142R127-F145 HydrophobicContact CB-CE2 4.34Å; R127-F145 HydrophobicContact CG-CD2 3.68Å; R127-F145 HydrophobicContact CG-CE2 3.41Å; R127-F145 VanDerWaalsContact CG-CE2 3.41Å; R127-F145 HydrophobicContact CG-CG 4.47Å; R127-F145 HydrophobicContact CG-CZ 3.97Å; N142-F145 HydrophobicContact CB-CB 4.4Å; N142-F145 HydrophobicContact CB-CD2 4.44Å; N142-F145 WeakPolarHBondContact OD1-CD2 3.24Å; N142-F145 PolarHBondContact OD1-N 2.9Å; N142-F145 VanDerWaalsContact OD1-N 3.12Å
146N84.5Confident91.3Very high76 Ų7671.3 Ų71.341%0.40636%0.355SS..BIsolated β-bridgetrans-156.766.8-178.6-175.342.4000108.8T140 Y141 N142T140-N146 PolarHBondContact O-ND2 3.33Å; Y141-N146 CarbonylContact C-O 3.51Å; Y141-N146 WeakPolarHBondContact CA-O 3.37Å; Y141-N146 WeakPolarHBondContact CB-O 3.42Å; N142-N146 PolarHBondContact N-O 3.15Å; N142-N146 CarbonylContact O-C 3.6Å; N142-N146 PolarHBondContact O-N 2.96Å; N142-N146 VanDerWaalsContact O-N 3.16Å
147P90.3Very high91.7Very high72 Ų7270.1 Ų70.147%0.46835%0.346SS..  trans-67143.5-17728-34.2000109.7N142N142-P147 VanDerWaalsContact O-CA 3.27Å; N142-P147 WeakPolarHBondContact O-CA 3.49Å
148P93.5Very high92Very high17 Ų1770.8 Ų70.811%0.1136%0.358CS..  trans-65.6146.2171.630.9-34000109.6Y141 R150 F153 L161Y141-P148 HydrophobicContact CD1-CB 3.75Å; Y141-P148 HydrophobicContact CE1-CB 4.12Å; Y141-P148 HydrophobicContact CG-CB 4.12Å; P148-R150 PolarHBondContact O-N 3.16Å; P148-F153 WeakPolarHBondContact CB-O 3.37Å; P148-L161 HydrophobicContact CB-CD1 3.92Å; P148-L161 HydrophobicContact CG-CD1 3.92Å
149K94.1Very high92.4Very high189 Ų18974.6 Ų74.682%0.82238%0.375SS*.SBendtrans-55.3-38.9176.4-67.2172.8-177.1177.70111.4D155K149-D155 VanDerWaalsContact CB-OD1 3.3Å; K149-D155 WeakPolarHBondContact CB-OD1 3.33Å; K149-D155 HydrophobicContact CD-CB 4.37Å; K149-D155 PolarHBondContact N-OD1 2.88Å; K149-D155 PolarHBondContact N-OD2 3.42Å
150R95.7Very high92.6Very high168 Ų16876.3 Ų76.363%0.63439%0.393SS*.SBendtrans-116.5119.1171.6-171.8-174.7175-174.3-2109.4P148 G152 F153P148-R150 PolarHBondContact O-N 3.16Å; R150-G152 PolarHBondContact O-N 3.12Å; R150-F153 HydrophobicContact CB-CB 4.46Å; R150-F153 HydrophobicContact CG-CD2 3.83Å; R150-F153 PolarHBondContact O-N 2.82Å
151K94.6Very high92.8Very high170 Ų17076.1 Ų76.174%0.73939%0.391SS*.THydrogen-bonded Turntrans-51123.5-179.8-172.4176.8-176.8177.60111.5F153K151-F153 VanDerWaalsContact O-CD2 3.3Å; K151-F153 WeakPolarHBondContact O-CD2 3.23Å
152G94.8Very high92.9Very high22 Ų2278.8 Ų78.823%0.22741%0.406CS..THydrogen-bonded Turntrans84.94.2176.300000115.7R150 P160 L161R150-G152 PolarHBondContact O-N 3.12Å; G152-P160 WeakPolarHBondContact O-CA 3.34Å; G152-L161 PolarHBondContact O-N 2.97Å
153F97.2Very high92.9Very high62 Ų6283.4 Ų83.427%0.27242%0.422SS..BIsolated β-bridgetrans-129.4145.2-179.2-61.2-85.4000111.9P148 R150 K151 G158 E159 L161P148-F153 WeakPolarHBondContact CB-O 3.37Å; R150-F153 HydrophobicContact CB-CB 4.46Å; R150-F153 HydrophobicContact CG-CD2 3.83Å; R150-F153 PolarHBondContact O-N 2.82Å; K151-F153 VanDerWaalsContact O-CD2 3.3Å; K151-F153 WeakPolarHBondContact O-CD2 3.23Å; F153-G158 VanDerWaalsContact CD1-O 3.22Å; F153-G158 WeakPolarHBondContact CD1-O 3.25Å; F153-E159 CarbonylContact C-O 3.12Å; F153-E159 WeakPolarHBondContact CA-O 3.3Å; F153-L161 WeakPolarHBondContact O-CD1 3.27Å
154D96.6Very high93.2Very high4 Ų481.2 Ų81.22%0.02141%0.409CS..  trans-68.4133.9174.8-177.570.1000111H134 R139 Y141 V156 T157 G158 E159 L161H134-D154 HydrophobicContact CB-CB 3.95Å; H134-D154 IonicContact CG-OD1 3.75Å; H134-D154 IonicContact ND1-OD1 2.84Å; H134-D154 IonicContact ND1-OD2 3.47Å; R139-D154 IonicContact CZ-OD1 3.71Å; R139-D154 IonicContact CZ-OD2 3.31Å; R139-D154 VanDerWaalsContact CZ-OD2 3.31Å; R139-D154 IonicContact NE-OD1 2.82Å; R139-D154 PolarHBondContact NE-OD1 3.02Å; R139-D154 IonicContact NE-OD2 3.09Å; R139-D154 PolarHBondContact NE-OD2 3.32Å; R139-D154 VanDerWaalsContact NE-OD2 3.09Å; R139-D154 IonicContact NH2-OD1 3.91Å; R139-D154 IonicContact NH2-OD2 3.7Å; R139-D154 PolarHBondContact NH2-OD2 3.19Å; Y141-D154 HydrophobicContact CE2-CB 4.49Å; Y141-D154 VanDerWaalsContact CE2-OD1 3.24Å; Y141-D154 WeakPolarHBondContact CE2-OD1 3.22Å; Y141-D154 PolarHBondContact OH-OD1 2.7Å; D154-V156 PolarHBondContact O-N 2.89Å; D154-V156 WeakPolarHBondContact OD2-CB 3.43Å; D154-V156 PolarHBondContact OD2-N 3.01Å; D154-V156 VanDerWaalsContact OD2-N 3.08Å; D154-T157 PolarHBondContact OD2-N 2.84Å; D154-T157 PolarHBondContact OD2-OG1 3.38Å; D154-G158 VanDerWaalsContact O-CA 3.23Å; D154-G158 WeakPolarHBondContact O-CA 3.41Å; D154-G158 PolarHBondContact O-N 3.08Å; D154-E159 PolarHBondContact N-O 3.24Å; D154-L161 HydrophobicContact CB-CD2 3.97Å
155D95.2Very high93.4Very high57 Ų5779.6 Ų79.631%0.30541%0.408SS..THydrogen-bonded Turntrans-69.1-15-176.1-71.7-16.7000114.1Y141 K149Y141-D155 HydrophobicContact CE1-CB 4.19Å; Y141-D155 WeakPolarHBondContact CE1-OD2 3.22Å; Y141-D155 PolarHBondContact OH-N 3.14Å; K149-D155 VanDerWaalsContact CB-OD1 3.3Å; K149-D155 WeakPolarHBondContact CB-OD1 3.33Å; K149-D155 HydrophobicContact CD-CB 4.37Å; K149-D155 PolarHBondContact N-OD1 2.88Å; K149-D155 PolarHBondContact N-OD2 3.42Å
156V94Very high93.8Very high106 Ų10676.2 Ų76.264%0.64239%0.393SS*.THydrogen-bonded Turntrans-103.7-48.2-177-178.90000111.4D154D154-V156 PolarHBondContact O-N 2.89Å; D154-V156 WeakPolarHBondContact OD2-CB 3.43Å; D154-V156 PolarHBondContact OD2-N 3.01Å; D154-V156 VanDerWaalsContact OD2-N 3.08Å
157T96.4Very high94.1Very high67 Ų6773.3 Ų73.341%0.41138%0.378SS..THydrogen-bonded Turntrans-96.3-18.5-177.461.60000113.4H134 D154 E159H134-T157 PolarHBondContact CE1-OG1 2.92Å; D154-T157 PolarHBondContact OD2-N 2.84Å; D154-T157 PolarHBondContact OD2-OG1 3.38Å; T157-E159 VanDerWaalsContact CB-OE2 3.22Å; T157-E159 WeakPolarHBondContact CB-OE2 3.45Å; T157-E159 PolarHBondContact O-N 2.88Å; T157-E159 WeakPolarHBondContact OG1-CB 3.32Å; T157-E159 PolarHBondContact OG1-N 2.92Å; T157-E159 PolarHBondContact OG1-OE2 3.14Å
158G96.1Very high94.1Very high47 Ų4772.7 Ų72.749%0.48537%0.371SS..  trans70.87.7-17200000113.8F153 D154F153-G158 VanDerWaalsContact CD1-O 3.22Å; F153-G158 WeakPolarHBondContact CD1-O 3.25Å; D154-G158 VanDerWaalsContact O-CA 3.23Å; D154-G158 WeakPolarHBondContact O-CA 3.41Å; D154-G158 PolarHBondContact O-N 3.08Å
159E97Very high93.9Very high86 Ų8676.6 Ų76.640%0.40240%0.396SS..PPolyproline II helixtrans-80.4158.5179.6-69.5172.2125.400111.9H134 F153 D154 T157H134-E159 IonicContact CE1-OE2 2.65Å; H134-E159 PolarHBondContact CE1-OE2 2.84Å; H134-E159 VanDerWaalsContact NE2-CB 3.34Å; H134-E159 WeakPolarHBondContact NE2-CB 3.37Å; H134-E159 IonicContact NE2-OE2 3.7Å; H134-E159 PolarHBondContact NE2-OE2 3.46Å; F153-E159 CarbonylContact C-O 3.12Å; F153-E159 WeakPolarHBondContact CA-O 3.3Å; D154-E159 PolarHBondContact N-O 3.24Å; T157-E159 VanDerWaalsContact CB-OE2 3.22Å; T157-E159 WeakPolarHBondContact CB-OE2 3.45Å; T157-E159 PolarHBondContact O-N 2.88Å; T157-E159 WeakPolarHBondContact OG1-CB 3.32Å; T157-E159 PolarHBondContact OG1-N 2.92Å; T157-E159 PolarHBondContact OG1-OE2 3.14Å
160P96.6Very high93.8Very high90 Ų9074.3 Ų74.358%0.58439%0.391SS*.BIsolated β-bridgetrans-62141-177.5-23.534.5000114G152G152-P160 WeakPolarHBondContact O-CA 3.34Å
161L95.9Very high93.6Very high17 Ų1766.9 Ų66.99%0.08937%0.365CS..PPolyproline II helixtrans-92.4145.1168.6-58.7178000110.9Y132 H134 Y141 P148 G152 F153 D154Y132-L161 HydrophobicContact CD1-CB 4.09Å; Y132-L161 HydrophobicContact CG-CB 4.4Å; Y132-L161 HydrophobicContact CG-CD1 4.49Å; H134-L161 HydrophobicContact CB-CD2 3.57Å; Y141-L161 HydrophobicContact CD2-CD1 3.56Å; Y141-L161 HydrophobicContact CD2-CD2 3.67Å; Y141-L161 HydrophobicContact CD2-CG 4.28Å; Y141-L161 HydrophobicContact CE2-CD1 4.09Å; Y141-L161 HydrophobicContact CE2-CD2 3.66Å; Y141-L161 HydrophobicContact CG-CD1 3.98Å; P148-L161 HydrophobicContact CB-CD1 3.92Å; P148-L161 HydrophobicContact CG-CD1 3.92Å; G152-L161 PolarHBondContact O-N 2.97Å; F153-L161 WeakPolarHBondContact O-CD1 3.27Å; D154-L161 HydrophobicContact CB-CD2 3.97Å
162I94.2Very high93.5Very high70 Ų7059 Ų5936%0.35933%0.331SS..BIsolated β-bridgetrans-119159.7174.567.8154.5000111.9Y132 T133 L135Y132-I162 CarbonylContact C-O 3.54Å; Y132-I162 WeakPolarHBondContact CA-O 3.13Å; T133-I162 PolarHBondContact N-O 3.13Å; T133-I162 PolarHBondContact O-N 2.88Å; L135-I162 HydrophobicContact CD1-CD1 3.42Å; L135-I162 VanDerWaalsContact CD1-CD1 3.42Å; L135-I162 HydrophobicContact CD1-CG1 4.17Å; L135-I162 HydrophobicContact CD2-CD1 3.99Å; L135-I162 HydrophobicContact CG-CD1 3.55Å; L135-I162 HydrophobicContact CG-CG1 3.92Å
163R92.4Very high93.3Very high108 Ų10864 Ų6441%0.40834%0.343SS..  trans-89.4142.1160.6-67.4-177.5174.4-96.4-2108S129 Y132 D143S129-R163 PolarHBondContact O-NH1 2.83Å; Y132-R163 HydrophobicContact CD1-CG 4.08Å; Y132-R163 HydrophobicContact CE1-CG 3.89Å; Y132-R163 VanDerWaalsContact CE2-NH2 3.31Å; Y132-R163 VanDerWaalsContact CZ-NH2 3.26Å; Y132-R163 PolarHBondContact OH-NE 3.34Å; Y132-R163 PolarHBondContact OH-NH2 3.09Å; D143-R163 IonicContact OD2-CZ 3.35Å; D143-R163 IonicContact OD2-NH2 2.84Å; D143-R163 PolarHBondContact OD2-NH2 3.39Å
164R91.2Very high93.2Very high27 Ų2764.9 Ų64.910%0.10235%0.346CS..  trans-82.6137.2177.4-60.4169.2171.1-172.4-8.1108.5D43 R46 T133 D166 D167D43-R164 IonicContact OD1-CZ 3.92Å; D43-R164 IonicContact OD1-NH2 3.91Å; D43-R164 PolarHBondContact OD1-NH2 3.19Å; R46-R164 VanDerWaalsContact CZ-CD 3.5Å; T133-R164 PolarHBondContact OG1-NE 3.48Å; R164-D166 WeakPolarHBondContact CB-OD1 3.39Å; R164-D166 PolarHBondContact O-N 3.34Å; R164-D167 HydrophobicContact CB-CB 4.33Å; R164-D167 PolarHBondContact O-N 3.06Å; R164-D167 VanDerWaalsContact O-N 3.11Å
165D88.9Confident93.1Very high135 Ų13566 Ų6672%0.72235%0.351SS*.G310 helixtrans-59.2-32.1177.5-60.5-20.1000111.5D167D165-D167 VanDerWaalsContact C-N 3.27Å; D165-D167 PolarHBondContact O-N 3.17Å
166D90.8Very high93Very high10 Ų1063.4 Ų63.45%0.05334%0.337CS..G310 helixtrans-83.711.6179.774.4-61.8000115R46 I63 R164 T171 R175R46-D166 IonicContact CZ-OD1 2.94Å; R46-D166 IonicContact CZ-OD2 3.71Å; R46-D166 IonicContact NE-OD1 3.08Å; R46-D166 PolarHBondContact NE-OD1 2.98Å; R46-D166 VanDerWaalsContact NE-OD1 3.08Å; R46-D166 IonicContact NE-OD2 3.99Å; R46-D166 VanDerWaalsContact NH2-CG 3.34Å; R46-D166 IonicContact NH2-OD1 3.02Å; R46-D166 PolarHBondContact NH2-OD1 3.25Å; R46-D166 IonicContact NH2-OD2 2.78Å; R46-D166 PolarHBondContact NH2-OD2 3.26Å; I63-D166 HydrophobicContact CG2-CB 4.29Å; I63-D166 WeakPolarHBondContact O-CB 3.41Å; R164-D166 WeakPolarHBondContact CB-OD1 3.39Å; R164-D166 PolarHBondContact O-N 3.34Å; D166-T171 HydrophobicContact CB-CG2 3.77Å; D166-T171 WeakPolarHBondContact O-CG2 3.44Å; D166-R175 PolarHBondContact O-NH1 3.14Å; D166-R175 IonicContact OD2-CZ 3.87Å; D166-R175 IonicContact OD2-NE 2.92Å; D166-R175 IonicContact OD2-NH1 3.8Å; D166-R175 PolarHBondContact OD2-NH1 3.26Å
167D91.1Very high93.1Very high16 Ų1661.7 Ų61.79%0.08632%0.324CS..G310 helixtrans-98.49174.8-76.9-19.1000112.7I128 R131 R164 D165 R175I128-D167 HydrophobicContact CG2-CB 3.61Å; I128-D167 VanDerWaalsContact CG2-CG 3.42Å; I128-D167 VanDerWaalsContact CG2-OD1 3.22Å; I128-D167 WeakPolarHBondContact CG2-OD1 3.48Å; R131-D167 WeakPolarHBondContact CD-OD2 3.33Å; R131-D167 IonicContact NH1-OD1 3.01Å; R131-D167 PolarHBondContact NH1-OD1 2.83Å; R131-D167 IonicContact NH1-OD2 3.23Å; R131-D167 PolarHBondContact NH1-OD2 2.95Å; R164-D167 HydrophobicContact CB-CB 4.33Å; R164-D167 PolarHBondContact O-N 3.06Å; R164-D167 VanDerWaalsContact O-N 3.11Å; D165-D167 VanDerWaalsContact C-N 3.27Å; D165-D167 PolarHBondContact O-N 3.17Å; D167-R175 IonicContact OD1-CZ 2.97Å; D167-R175 IonicContact OD1-NH1 3.54Å; D167-R175 PolarHBondContact OD1-NH1 3.1Å
168D90.4Very high93.1Very high58 Ų5859.8 Ų59.831%0.3131%0.312SS..SBendtrans-65.315216980.883000112I170 T171 V172D168-I170 VanDerWaalsContact C-N 3.28Å; D168-I170 PolarHBondContact O-N 3.26Å; D168-I170 WeakPolarHBondContact OD1-CA 3.2Å; D168-I170 WeakPolarHBondContact OD1-CB 3.36Å; D168-I170 PolarHBondContact OD1-N 3.35Å; D168-T171 PolarHBondContact O-N 3.18Å; D168-T171 PolarHBondContact OD1-N 3.26Å; D168-T171 WeakPolarHBondContact OD2-CB 3.31Å; D168-T171 PolarHBondContact OD2-OG1 3.49Å; D168-V172 WeakPolarHBondContact O-CB 3.27Å; D168-V172 VanDerWaalsContact O-CG2 3.23Å; D168-V172 WeakPolarHBondContact O-CG2 3.37Å; D168-V172 PolarHBondContact O-N 3.11Å
169P88.6Confident93.1Very high100 Ų10058.1 Ų58.165%0.64929%0.291SS*.Hα-helixtrans-57.1-34.8-173.9-27.635.7000115.3R173P169-R173 WeakPolarHBondContact O-CB 3.35Å; P169-R173 PolarHBondContact O-N 3.14Å
170I91.3Very high93Very high140 Ų14058.2 Ų58.272%0.71829%0.291SS*.Hα-helixtrans-71.3-49-177.5-61.4172.1000108.9D168 V172 R173 K174D168-I170 VanDerWaalsContact C-N 3.28Å; D168-I170 PolarHBondContact O-N 3.26Å; D168-I170 WeakPolarHBondContact OD1-CA 3.2Å; D168-I170 WeakPolarHBondContact OD1-CB 3.36Å; D168-I170 PolarHBondContact OD1-N 3.35Å; I170-V172 VanDerWaalsContact C-N 3.32Å; I170-V172 PolarHBondContact O-N 2.97Å; I170-R173 PolarHBondContact O-N 2.84Å; I170-K174 PolarHBondContact O-N 2.88Å
171T93.1Very high93.1Very high12 Ų1260.3 Ų60.37%0.07430%0.297CS..Hα-helixtrans-64.8-38.2178.2-59.30000111.7Q64 D166 D168 K174 R175Q64-T171 PolarHBondContact O-OG1 2.66Å; D166-T171 HydrophobicContact CB-CG2 3.77Å; D166-T171 WeakPolarHBondContact O-CG2 3.44Å; D168-T171 PolarHBondContact O-N 3.18Å; D168-T171 PolarHBondContact OD1-N 3.26Å; D168-T171 WeakPolarHBondContact OD2-CB 3.31Å; D168-T171 PolarHBondContact OD2-OG1 3.49Å; T171-K174 PolarHBondContact O-N 3.36Å; T171-R175 HydrophobicContact CG2-CG 4.46Å; T171-R175 VanDerWaalsContact O-CG 3.24Å; T171-R175 WeakPolarHBondContact O-CG 3.37Å; T171-R175 PolarHBondContact O-N 3.35Å
172V91.5Very high93.2Very high4 Ų461.5 Ų61.52%0.02431%0.307CS..Hα-helixtrans-60.5-46.41741680000111.8I128 D168 I170 K174 R175 L176I128-V172 HydrophobicContact CB-CG1 4.41Å; I128-V172 HydrophobicContact CB-CG2 4.04Å; I128-V172 HydrophobicContact CD1-CB 4.41Å; I128-V172 HydrophobicContact CD1-CG1 3.49Å; I128-V172 VanDerWaalsContact CD1-CG1 3.49Å; I128-V172 HydrophobicContact CD1-CG2 4.05Å; I128-V172 HydrophobicContact CG2-CG2 3.37Å; D168-V172 WeakPolarHBondContact O-CB 3.27Å; D168-V172 VanDerWaalsContact O-CG2 3.23Å; D168-V172 WeakPolarHBondContact O-CG2 3.37Å; D168-V172 PolarHBondContact O-N 3.11Å; I170-V172 VanDerWaalsContact C-N 3.32Å; I170-V172 PolarHBondContact O-N 2.97Å; V172-K174 VanDerWaalsContact C-N 3.33Å; V172-K174 PolarHBondContact O-N 3.26Å; V172-R175 PolarHBondContact O-N 2.89Å; V172-L176 HydrophobicContact CG1-CD1 4.13Å; V172-L176 WeakPolarHBondContact O-CG 3.48Å; V172-L176 PolarHBondContact O-N 2.94Å
173R91.7Very high93.4Very high129 Ų12958.6 Ų58.649%0.48729%0.293SS..Hα-helixtrans-58.1-47.6176.3-178.667.770.6-179.94110.6P169 I170 R175 L176 D177P169-R173 WeakPolarHBondContact O-CB 3.35Å; P169-R173 PolarHBondContact O-N 3.14Å; I170-R173 PolarHBondContact O-N 2.84Å; R173-R175 VanDerWaalsContact C-N 3.32Å; R173-R175 PolarHBondContact O-N 3.17Å; R173-L176 WeakPolarHBondContact O-CA 3.45Å; R173-L176 VanDerWaalsContact O-CB 3.32Å; R173-L176 WeakPolarHBondContact O-CB 3.33Å; R173-L176 PolarHBondContact O-N 3.23Å; R173-D177 PolarHBondContact O-N 2.91Å
174K94.2Very high93.6Very high79 Ų7957 Ų5734%0.34329%0.292SS..Hα-helixtrans-61.6-39178.1-178.7161.7164.6-157.30113N65 S67 I170 T171 V172 L176 D177 V178N65-K174 WeakPolarHBondContact O-CD 3.47Å; N65-K174 WeakPolarHBondContact O-CE 3.49Å; N65-K174 PolarHBondContact O-NZ 3Å; S67-K174 VanDerWaalsContact OG-CE 3.24Å; S67-K174 WeakPolarHBondContact OG-CE 3.43Å; S67-K174 PolarHBondContact OG-NZ 3.21Å; I170-K174 PolarHBondContact O-N 2.88Å; T171-K174 PolarHBondContact O-N 3.36Å; V172-K174 VanDerWaalsContact C-N 3.33Å; V172-K174 PolarHBondContact O-N 3.26Å; K174-L176 PolarHBondContact O-N 2.88Å; K174-D177 PolarHBondContact O-N 3.47Å; K174-V178 WeakPolarHBondContact O-CB 3.37Å; K174-V178 VanDerWaalsContact O-CG2 3.31Å; K174-V178 WeakPolarHBondContact O-CG2 3.26Å; K174-V178 PolarHBondContact O-N 2.84Å
175R94.7Very high93.9Very high29 Ų2958.7 Ų58.711%0.10931%0.306CS..Hα-helixtrans-63.5-32.3174.3-70164.160.6-168.73111.9P19 D166 D167 T171 V172 R173 Y179P19-R175 HydrophobicContact CB-CB 4.4Å; P19-R175 HydrophobicContact CG-CB 3.72Å; D166-R175 PolarHBondContact O-NH1 3.14Å; D166-R175 IonicContact OD2-CZ 3.87Å; D166-R175 IonicContact OD2-NE 2.92Å; D166-R175 IonicContact OD2-NH1 3.8Å; D166-R175 PolarHBondContact OD2-NH1 3.26Å; D167-R175 IonicContact OD1-CZ 2.97Å; D167-R175 IonicContact OD1-NH1 3.54Å; D167-R175 PolarHBondContact OD1-NH1 3.1Å; T171-R175 HydrophobicContact CG2-CG 4.46Å; T171-R175 VanDerWaalsContact O-CG 3.24Å; T171-R175 WeakPolarHBondContact O-CG 3.37Å; T171-R175 PolarHBondContact O-N 3.35Å; V172-R175 PolarHBondContact O-N 2.89Å; R173-R175 VanDerWaalsContact C-N 3.32Å; R173-R175 PolarHBondContact O-N 3.17Å; R175-Y179 WeakPolarHBondContact O-CB 3.46Å; R175-Y179 PolarHBondContact O-N 3.04Å; R175-Y179 VanDerWaalsContact O-N 3.09Å
176L93.5Very high94.4Very high2 Ų252.2 Ų52.21%0.0127%0.271CS..Hα-helixtrans-71.9-42.7174.3-70.2165.9000111.6P18 P19 F121 I124 I125 V172 R173 K174 V178 Y179 Q180P18-L176 HydrophobicContact CB-CD2 3.99Å; P19-L176 HydrophobicContact CG-CD2 4.34Å; F121-L176 HydrophobicContact CD1-CB 4.4Å; F121-L176 HydrophobicContact CD1-CD1 4.29Å; F121-L176 HydrophobicContact CD1-CD2 3.77Å; F121-L176 HydrophobicContact CD1-CG 4.37Å; F121-L176 HydrophobicContact CE1-CB 4.05Å; F121-L176 HydrophobicContact CE1-CD2 3.63Å; F121-L176 HydrophobicContact CE1-CG 4.31Å; I124-L176 HydrophobicContact CD1-CD2 4.1Å; I124-L176 HydrophobicContact CG2-CD1 4.21Å; I124-L176 HydrophobicContact CG2-CD2 3.91Å; I125-L176 HydrophobicContact CG1-CD1 4.18Å; V172-L176 HydrophobicContact CG1-CD1 4.13Å; V172-L176 WeakPolarHBondContact O-CG 3.48Å; V172-L176 PolarHBondContact O-N 2.94Å; R173-L176 WeakPolarHBondContact O-CA 3.45Å; R173-L176 VanDerWaalsContact O-CB 3.32Å; R173-L176 WeakPolarHBondContact O-CB 3.33Å; R173-L176 PolarHBondContact O-N 3.23Å; K174-L176 PolarHBondContact O-N 2.88Å; L176-V178 VanDerWaalsContact C-N 3.35Å; L176-V178 PolarHBondContact O-N 3.48Å; L176-Y179 WeakPolarHBondContact O-CB 3.47Å; L176-Y179 PolarHBondContact O-N 3.35Å; L176-Y179 VanDerWaalsContact O-N 3.14Å; L176-Q180 WeakPolarHBondContact O-CG 3.46Å; L176-Q180 PolarHBondContact O-N 3.05Å
177D95Very high94.7Very high69 Ų6953.4 Ų53.437%0.36928%0.278SS..Hα-helixtrans-61.7-44.6176-58.7-23.5000110.9R173 K174 Y179 Q180 L181R173-D177 PolarHBondContact O-N 2.91Å; K174-D177 PolarHBondContact O-N 3.47Å; D177-Y179 VanDerWaalsContact C-N 3.31Å; D177-Y179 PolarHBondContact O-N 3.47Å; D177-Q180 PolarHBondContact O-N 3.14Å; D177-L181 WeakPolarHBondContact O-CB 3.39Å; D177-L181 WeakPolarHBondContact O-CG 3.45Å; D177-L181 PolarHBondContact O-N 3.09Å
178V96.6Very high95.1Very high27 Ų2757 Ų5716%0.16430%0.297CS..Hα-helixtrans-58.2-43.3173.4165.50000111.3L68 K174 L176 L181 S182L68-V178 HydrophobicContact CD1-CG1 3.84Å; L68-V178 HydrophobicContact CD2-CG1 3.63Å; L68-V178 HydrophobicContact CG-CG1 3.5Å; L68-V178 VanDerWaalsContact CG-CG1 3.5Å; K174-V178 WeakPolarHBondContact O-CB 3.37Å; K174-V178 VanDerWaalsContact O-CG2 3.31Å; K174-V178 WeakPolarHBondContact O-CG2 3.26Å; K174-V178 PolarHBondContact O-N 2.84Å; L176-V178 VanDerWaalsContact C-N 3.35Å; L176-V178 PolarHBondContact O-N 3.48Å; V178-L181 PolarHBondContact O-N 3.48Å; V178-S182 WeakPolarHBondContact O-CB 3.41Å; V178-S182 PolarHBondContact O-N 2.74Å
179Y96.4Very high95.5Very high13 Ų1356.7 Ų56.75%0.05129%0.292CS..Iπ-helixtrans-60.8-48.2176.8171.3-94.8000111.2I16 P18 F121 R175 L176 D177 L181 T183 L184I16-Y179 HydrophobicContact CG2-CE2 4.16Å; P18-Y179 HydrophobicContact CB-CD1 3.73Å; P18-Y179 HydrophobicContact CB-CD2 4.36Å; P18-Y179 HydrophobicContact CB-CE1 3.76Å; P18-Y179 HydrophobicContact CB-CE2 4.41Å; P18-Y179 HydrophobicContact CB-CG 4.04Å; P18-Y179 HydrophobicContact CG-CE1 4.24Å; F121-Y179 HydrophobicContact CZ-CD1 4.29Å; R175-Y179 WeakPolarHBondContact O-CB 3.46Å; R175-Y179 PolarHBondContact O-N 3.04Å; R175-Y179 VanDerWaalsContact O-N 3.09Å; L176-Y179 WeakPolarHBondContact O-CB 3.47Å; L176-Y179 PolarHBondContact O-N 3.35Å; L176-Y179 VanDerWaalsContact O-N 3.14Å; D177-Y179 VanDerWaalsContact C-N 3.31Å; D177-Y179 PolarHBondContact O-N 3.47Å; Y179-L181 PolarHBondContact O-N 2.79Å; Y179-T183 HydrophobicContact CD2-CG2 3.69Å; Y179-T183 HydrophobicContact CE2-CG2 3.74Å; Y179-T183 CarbonylContact O-C 3.03Å; Y179-T183 WeakPolarHBondContact O-CA 3.38Å; Y179-T183 WeakPolarHBondContact O-CB 3.3Å; Y179-T183 PolarHBondContact O-N 3.15Å; Y179-L184 HydrophobicContact CE1-CD1 4.04Å; Y179-L184 PolarHBondContact O-N 2.83Å
180Q95.8Very high95.9Very high87 Ų8752 Ų5241%0.40726%0.261SS..Iπ-helixtrans-60.1-45.7178.8-72.2-179.6-21.400112F121 L176 D177 L184F121-Q180 HydrophobicContact CE1-CG 4.06Å; F121-Q180 HydrophobicContact CE2-CG 4.49Å; F121-Q180 HydrophobicContact CZ-CG 3.57Å; L176-Q180 WeakPolarHBondContact O-CG 3.46Å; L176-Q180 PolarHBondContact O-N 3.05Å; D177-Q180 PolarHBondContact O-N 3.14Å; Q180-L184 WeakPolarHBondContact O-CB 3.3Å
181L97.6Very high96.3Very high134 Ų13446.9 Ų46.970%0.70224%0.243SC*.Iπ-helixtrans-78.8-40.3-173.8-67.5172.8000113.4D177 V178 Y179D177-L181 WeakPolarHBondContact O-CB 3.39Å; D177-L181 WeakPolarHBondContact O-CG 3.45Å; D177-L181 PolarHBondContact O-N 3.09Å; V178-L181 PolarHBondContact O-N 3.48Å; Y179-L181 PolarHBondContact O-N 2.79Å
182S97.9Very high96.5Very high43 Ų4353.4 Ų53.430%0.30127%0.271SS..Iπ-helixtrans-109.7-35.2-168.8-59.60000114.1R97 V178R97-S182 CarbonylContact O-C 3.14Å; V178-S182 WeakPolarHBondContact O-CB 3.41Å; V178-S182 PolarHBondContact O-N 2.74Å
183T97.8Very high96.8Very high9 Ų956.3 Ų56.36%0.05528%0.284CS..Iπ-helixtrans-95.7-38.9-173.1-540000112.6I16 R97 Y179 P185 L186I16-T183 HydrophobicContact CG2-CG2 3.89Å; R97-T183 VanDerWaalsContact O-CA 3.32Å; R97-T183 WeakPolarHBondContact O-CA 3.37Å; R97-T183 PolarHBondContact O-N 3.34Å; R97-T183 PolarHBondContact O-OG1 3.34Å; Y179-T183 HydrophobicContact CD2-CG2 3.69Å; Y179-T183 HydrophobicContact CE2-CG2 3.74Å; Y179-T183 CarbonylContact O-C 3.03Å; Y179-T183 WeakPolarHBondContact O-CA 3.38Å; Y179-T183 WeakPolarHBondContact O-CB 3.3Å; Y179-T183 PolarHBondContact O-N 3.15Å; T183-P185 VanDerWaalsContact C-CD 3.43Å; T183-P185 VanDerWaalsContact C-N 3.33Å; T183-L186 HydrophobicContact CG2-CD1 4.28Å; T183-L186 WeakPolarHBondContact O-CB 3.33Å; T183-L186 VanDerWaalsContact O-CG 3.22Å; T183-L186 WeakPolarHBondContact O-CG 3.42Å; T183-L186 PolarHBondContact O-N 2.96Å
184L96.9Very high97.1Very high75 Ų7559.1 Ų59.139%0.39330%0.3SS..THydrogen-bonded Turntrans-57.6-37.5179.9-165.267.1000113.6Y179 Q180 L186 L187Y179-L184 HydrophobicContact CE1-CD1 4.04Å; Y179-L184 PolarHBondContact O-N 2.83Å; Q180-L184 WeakPolarHBondContact O-CB 3.3Å; L184-L186 PolarHBondContact O-N 3.17Å; L184-L187 HydrophobicContact CD1-CD1 3.72Å; L184-L187 HydrophobicContact CD1-CG 4.38Å; L184-L187 WeakPolarHBondContact O-CB 3.47Å; L184-L187 WeakPolarHBondContact O-CG 3.42Å; L184-L187 PolarHBondContact O-N 3.13Å
185P98.3Very high97.3Very high61 Ų6156.7 Ų56.740%0.39629%0.29SS..THydrogen-bonded Turntrans-59.3-18.4173.8-26.536.6000114.9T183 L187 D188T183-P185 VanDerWaalsContact C-CD 3.43Å; T183-P185 VanDerWaalsContact C-N 3.33Å; P185-L187 PolarHBondContact O-N 3.35Å; P185-D188 PolarHBondContact O-N 2.84Å
186L98.6Very high97.5Very high0 Ų057 Ų570%029%0.294CS..Hα-helixtrans-65-24.9175.2-58.7-173.9000112.5I16 P96 M99 A102 T183 L184 Y189 Y190I16-L186 HydrophobicContact CD1-CB 4.2Å; I16-L186 HydrophobicContact CD1-CD1 4.35Å; P96-L186 HydrophobicContact CB-CD1 4.29Å; P96-L186 HydrophobicContact CG-CD1 4.15Å; P96-L186 WeakPolarHBondContact O-CD1 3.37Å; M99-L186 HydrophobicContact CE-CD2 3.71Å; M99-L186 HydrophobicContact SD-CD2 4.28Å; A102-L186 HydrophobicContact CB-CD2 3.6Å; T183-L186 HydrophobicContact CG2-CD1 4.28Å; T183-L186 WeakPolarHBondContact O-CB 3.33Å; T183-L186 VanDerWaalsContact O-CG 3.22Å; T183-L186 WeakPolarHBondContact O-CG 3.42Å; T183-L186 PolarHBondContact O-N 2.96Å; L184-L186 PolarHBondContact O-N 3.17Å; L186-Y189 PolarHBondContact O-N 2.9Å; L186-Y190 HydrophobicContact CB-CD2 4.12Å; L186-Y190 HydrophobicContact CB-CE2 4.14Å; L186-Y190 WeakPolarHBondContact O-CD2 3.21Å; L186-Y190 PolarHBondContact O-N 3.23Å
187L98.3Very high97.7Very high35 Ų3559 Ų5918%0.18330%0.303CS..Hα-helixtrans-64.6-41.7178.7-58.9-169.3000111.3I16 C116 L184 P185 G191 L196I16-L187 HydrophobicContact CG2-CD2 4.17Å; C116-L187 HydrophobicContact CB-CD2 3.98Å; L184-L187 HydrophobicContact CD1-CD1 3.72Å; L184-L187 HydrophobicContact CD1-CG 4.38Å; L184-L187 WeakPolarHBondContact O-CB 3.47Å; L184-L187 WeakPolarHBondContact O-CG 3.42Å; L184-L187 PolarHBondContact O-N 3.13Å; P185-L187 PolarHBondContact O-N 3.35Å; L187-G191 WeakPolarHBondContact O-CA 3.46Å; L187-G191 PolarHBondContact O-N 3.02Å; L187-L196 HydrophobicContact CB-CD2 3.9Å; L187-L196 HydrophobicContact CD2-CD1 3.87Å; L187-L196 HydrophobicContact CD2-CD2 4.13Å; L187-L196 VanDerWaalsContact O-CD2 3.27Å; L187-L196 WeakPolarHBondContact O-CD2 3.39Å
188D98.5Very high97.9Very high92 Ų9258.6 Ų58.649%0.49230%0.303SS..Hα-helixtrans-62.7-45.1173.8173.370.6000111.3P185 Y190 G191 K192P185-D188 PolarHBondContact O-N 2.84Å; D188-Y190 PolarHBondContact O-N 3.01Å; D188-G191 PolarHBondContact O-N 2.78Å; D188-K192 WeakPolarHBondContact O-CG 3.4Å; D188-K192 PolarHBondContact O-N 2.93Å; D188-K192 WeakPolarHBondContact OD1-CE 3.39Å; D188-K192 IonicContact OD1-NZ 2.73Å; D188-K192 PolarHBondContact OD1-NZ 3.32Å; D188-K192 WeakPolarHBondContact OD2-CE 3.48Å; D188-K192 IonicContact OD2-NZ 3.86Å; D188-K192 PolarHBondContact OD2-NZ 2.87Å
189Y98.6Very high98Very high51 Ų5157.6 Ų57.620%0.230%0.296CS..Hα-helixtrans-60.3-45.5179.5173.6-106.2000113.3M99 A102 K103 L186 Q193M99-Y189 HydrophobicContact CE-CG 4.22Å; M99-Y189 HydrophobicContact SD-CD1 4.38Å; M99-Y189 HydrophobicContact SD-CD2 3.96Å; M99-Y189 HydrophobicContact SD-CG 3.86Å; A102-Y189 HydrophobicContact CB-CD1 4.16Å; A102-Y189 HydrophobicContact CB-CE1 4.03Å; K103-Y189 HydrophobicContact CG-CE2 4.48Å; L186-Y189 PolarHBondContact O-N 2.9Å; Y189-Q193 PolarHBondContact O-NE2 3.25Å; Y189-Q193 VanDerWaalsContact O-NE2 3.08Å
190Y98.5Very high98Very high0 Ų062.4 Ų62.40%032%0.319CS..Hα-helixtrans-79.9-28.5178.4-69.5-56.7000113.1I16 P96 A102 V114 L186 D188 Q193 K194 I195I16-Y190 HydrophobicContact CD1-CD2 4.09Å; I16-Y190 HydrophobicContact CD1-CE2 4.02Å; P96-Y190 HydrophobicContact CG-CE2 4.35Å; P96-Y190 VanDerWaalsContact CG-OH 3.23Å; P96-Y190 WeakPolarHBondContact CG-OH 2.91Å; A102-Y190 HydrophobicContact CB-CE2 4.45Å; V114-Y190 HydrophobicContact CB-CD2 4.47Å; V114-Y190 HydrophobicContact CB-CG 4.38Å; V114-Y190 HydrophobicContact CG1-CD2 4.1Å; V114-Y190 HydrophobicContact CG1-CG 4.47Å; V114-Y190 HydrophobicContact CG2-CD1 3.75Å; V114-Y190 HydrophobicContact CG2-CD2 3.87Å; V114-Y190 HydrophobicContact CG2-CE1 4.05Å; V114-Y190 HydrophobicContact CG2-CE2 4.16Å; V114-Y190 HydrophobicContact CG2-CG 3.64Å; L186-Y190 HydrophobicContact CB-CD2 4.12Å; L186-Y190 HydrophobicContact CB-CE2 4.14Å; L186-Y190 WeakPolarHBondContact O-CD2 3.21Å; L186-Y190 PolarHBondContact O-N 3.23Å; D188-Y190 PolarHBondContact O-N 3.01Å; Y190-Q193 PolarHBondContact O-N 3.08Å; Y190-K194 PolarHBondContact O-N 2.96Å; Y190-I195 HydrophobicContact CD1-CD1 3.85Å; Y190-I195 HydrophobicContact CD1-CG1 4.14Å; Y190-I195 HydrophobicContact CE1-CD1 4.35Å; Y190-I195 PolarHBondContact O-N 3.23Å
191G98.3Very high97.8Very high34 Ų3458.7 Ų58.735%0.35130%0.304SS..Hα-helixtrans-62.2-44.9172.300000112L187 D188 Q193 K194L187-G191 WeakPolarHBondContact O-CA 3.46Å; L187-G191 PolarHBondContact O-N 3.02Å; D188-G191 PolarHBondContact O-N 2.78Å; G191-Q193 PolarHBondContact O-N 3.25Å; G191-K194 WeakPolarHBondContact O-CA 3.48Å; G191-K194 PolarHBondContact O-N 3.11Å
192K98.3Very high97.5Very high149 Ų14954.5 Ų54.565%0.64829%0.285SS*.Hα-helixtrans-59.4-30.3174.2-76.4168.7177.2161.90113.4D188 K194D188-K192 WeakPolarHBondContact O-CG 3.4Å; D188-K192 PolarHBondContact O-N 2.93Å; D188-K192 WeakPolarHBondContact OD1-CE 3.39Å; D188-K192 IonicContact OD1-NZ 2.73Å; D188-K192 PolarHBondContact OD1-NZ 3.32Å; D188-K192 WeakPolarHBondContact OD2-CE 3.48Å; D188-K192 IonicContact OD2-NZ 3.86Å; D188-K192 PolarHBondContact OD2-NZ 2.87Å; K192-K194 VanDerWaalsContact C-N 3.31Å
193Q97.6Very high97.2Very high65 Ų6557.5 Ų57.530%0.30429%0.29SS..THydrogen-bonded Turntrans-83.3-5.3175.6-70.5174.675.800113.5Y189 Y190 G191 I195Y189-Q193 PolarHBondContact O-NE2 3.25Å; Y189-Q193 VanDerWaalsContact O-NE2 3.08Å; Y190-Q193 PolarHBondContact O-N 3.08Å; G191-Q193 PolarHBondContact O-N 3.25Å; Q193-I195 HydrophobicContact CB-CD1 4.41Å; Q193-I195 HydrophobicContact CB-CG1 4.04Å; Q193-I195 PolarHBondContact O-N 3.42Å
194K97.9Very high96.9Very high188 Ų18858.4 Ų58.482%0.81730%0.295SS*.THydrogen-bonded Turntrans59.829.2-179.3-52.9-179.6179.5179.20114.1Y190 G191 K192Y190-K194 PolarHBondContact O-N 2.96Å; G191-K194 WeakPolarHBondContact O-CA 3.48Å; G191-K194 PolarHBondContact O-N 3.11Å; K192-K194 VanDerWaalsContact C-N 3.31Å
195I97.9Very high96.7Very high28 Ų2856.5 Ų56.514%0.14429%0.286CS..  trans-112.12.7175.562.7173.9000112.9I111 T112 C113 V114 Y190 Q193I111-I195 HydrophobicContact CB-CD1 4.44Å; I111-I195 HydrophobicContact CG2-CD1 4.33Å; I111-I195 WeakPolarHBondContact O-CD1 3.47Å; T112-I195 WeakPolarHBondContact O-CG2 3.35Å; C113-I195 CarbonylContact C-O 3.45Å; V114-I195 HydrophobicContact CG2-CD1 4.26Å; V114-I195 HydrophobicContact CG2-CG1 4.28Å; V114-I195 PolarHBondContact N-O 3.4Å; Y190-I195 HydrophobicContact CD1-CD1 3.85Å; Y190-I195 HydrophobicContact CD1-CG1 4.14Å; Y190-I195 HydrophobicContact CE1-CD1 4.35Å; Y190-I195 PolarHBondContact O-N 3.23Å; Q193-I195 HydrophobicContact CB-CD1 4.41Å; Q193-I195 HydrophobicContact CB-CG1 4.04Å; Q193-I195 PolarHBondContact O-N 3.42Å
196L98.7Very high96.5Very high36 Ų3657.8 Ų57.819%0.18829%0.286CS..EExtended strand (participates in β ladder)trans-89.5130.6178.1177.265.7000111.8V114 C116 L187 V198V114-L196 HydrophobicContact CB-CD1 4.13Å; V114-L196 HydrophobicContact CG1-CD1 3.79Å; C116-L196 HydrophobicContact CB-CD1 3.8Å; L187-L196 HydrophobicContact CB-CD2 3.9Å; L187-L196 HydrophobicContact CD2-CD1 3.87Å; L187-L196 HydrophobicContact CD2-CD2 4.13Å; L187-L196 VanDerWaalsContact O-CD2 3.27Å; L187-L196 WeakPolarHBondContact O-CD2 3.39Å; L196-V198 HydrophobicContact CD1-CG2 4.28Å; L196-V198 HydrophobicContact CD2-CG2 3.95Å; L196-V198 HydrophobicContact CG-CG2 3.94Å
197H98.7Very high96.4Very high43 Ų4357.8 Ų57.820%0.19929%0.286CS..EExtended strand (participates in β ladder)trans-123.1119.1171-55.9-86.4000109.3V114 C116 F199 I214 F218V114-H197 PolarHBondContact O-N 3.06Å; C116-H197 PolarHBondContact N-O 3.4Å; H197-F199 HydrophobicContact CB-CE2 3.93Å; H197-F199 HydrophobicContact CB-CZ 3.87Å; H197-F199 WeakPolarHBondContact O-CE2 3.23Å; H197-I214 HydrophobicContact CB-CG2 3.98Å; H197-F218 AromaticContact NE2-CE2 3.57Å; H197-F218 AromaticContact NE2-CZ 3.31Å; H197-F218 VanDerWaalsContact NE2-CZ 3.31Å; H197-F218 WeakPolarHBondContact NE2-CZ 3.22Å
198V98.5Very high96.4Very high61 Ų6156.2 Ų56.237%0.3728%0.278SS..EExtended strand (participates in β ladder)trans-102.1133.1-178.4-173.10000109.7C116 D118 L196C116-V198 HydrophobicContact CB-CG2 4.22Å; D118-V198 HydrophobicContact CB-CG1 3.94Å; L196-V198 HydrophobicContact CD1-CG2 4.28Å; L196-V198 HydrophobicContact CD2-CG2 3.95Å; L196-V198 HydrophobicContact CG-CG2 3.94Å
199F98.3Very high96.3Very high6 Ų654.3 Ų54.33%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-120.2115.1-179.9-54.3-82.4000108.8L115 C116 L117 D118 H197 L207 Q210 V211 I214L115-F199 HydrophobicContact CB-CE2 4Å; L115-F199 HydrophobicContact CD2-CE2 3.68Å; L115-F199 HydrophobicContact CD2-CZ 3.93Å; L115-F199 HydrophobicContact CG-CE2 4.43Å; C116-F199 WeakPolarHBondContact O-CD2 3.24Å; C116-F199 PolarHBondContact O-N 3.19Å; L117-F199 HydrophobicContact CD2-CB 4.35Å; L117-F199 HydrophobicContact CD2-CD2 4.28Å; D118-F199 PolarHBondContact N-O 3.28Å; H197-F199 HydrophobicContact CB-CE2 3.93Å; H197-F199 HydrophobicContact CB-CZ 3.87Å; H197-F199 WeakPolarHBondContact O-CE2 3.23Å; F199-L207 HydrophobicContact CB-CD2 3.78Å; F199-Q210 HydrophobicContact CD1-CB 3.68Å; F199-Q210 HydrophobicContact CE1-CB 4.16Å; F199-Q210 WeakPolarHBondContact CE1-O 3.33Å; F199-V211 HydrophobicContact CB-CG2 4.35Å; F199-V211 HydrophobicContact CD1-CG2 3.92Å; F199-V211 HydrophobicContact CD2-CG2 3.79Å; F199-V211 HydrophobicContact CE1-CB 4.49Å; F199-V211 HydrophobicContact CE1-CG2 4.12Å; F199-V211 HydrophobicContact CE2-CG2 4.01Å; F199-V211 HydrophobicContact CG-CG2 3.74Å; F199-V211 HydrophobicContact CZ-CG2 4.17Å; F199-I214 HydrophobicContact CE1-CB 3.94Å; F199-I214 HydrophobicContact CE1-CG1 3.6Å; F199-I214 HydrophobicContact CZ-CB 3.75Å; F199-I214 HydrophobicContact CZ-CG1 3.86Å; F199-I214 HydrophobicContact CZ-CG2 3.96Å
200H96.2Very high96.3Very high114 Ų11455.6 Ų55.653%0.52828%0.279SS..EExtended strand (participates in β ladder)trans-91.5136.1176.3-56.2-75.6000109.5D118 Q210D118-H200 IonicContact OD2-CE1 3.24Å; D118-H200 PolarHBondContact OD2-CE1 2.95Å; D118-H200 IonicContact OD2-ND1 2.68Å; D118-H200 PolarHBondContact OD2-ND1 3.41Å; H200-Q210 PolarHBondContact O-NE2 3.28Å
201G93Very high96.3Very high8 Ų855.6 Ų55.68%0.08228%0.279CS..  trans171.5159.1175.100000111.4D118 V119 E206D118-G201 PolarHBondContact O-N 2.94Å; V119-G201 WeakPolarHBondContact CG2-O 3.29Å; G201-E206 WeakPolarHBondContact CA-OE1 3.32Å
202C90.6Very high96.3Very high46 Ų4655.3 Ų55.331%0.31127%0.268SS..SBendtrans-85.9-46.5173.9-69.70000109E123 R127 E206E123-C202 HydrophobicContact CG-CB 4.49Å; R127-C202 PolarHBondContact NH1-O 3.48Å; R127-C202 PolarHBondContact NH2-O 3.43Å; C202-E206 PolarHBondContact N-OE2 3.02Å
203R90.9Very high96.3Very high107 Ų10755.5 Ų55.540%0.40427%0.269SS..SBendtrans-108.6151.9-167.8-62.5-176.1177.9-140.7-1.5112.9N205 E206 L207 N230R203-N205 PolarHBondContact O-N 3.4Å; R203-E206 HydrophobicContact CB-CB 4.34Å; R203-E206 PolarHBondContact N-OE2 2.92Å; R203-E206 WeakPolarHBondContact O-CB 3.36Å; R203-E206 PolarHBondContact O-N 3Å; R203-L207 VanDerWaalsContact O-CG 3.3Å; R203-L207 WeakPolarHBondContact O-CG 3.29Å; R203-L207 PolarHBondContact O-N 3.32Å; R203-N230 PolarHBondContact NH1-OXT 2.57Å
204T92.7Very high96.3Very high27 Ų2754.2 Ų54.217%0.16626%0.263CS..Hα-helixtrans-63.1-30.4175.748.90000112.4T25 I26 R29 W208T25-T204 HydrophobicContact CG2-CG2 4.18Å; I26-T204 HydrophobicContact CD1-CG2 4.41Å; I26-T204 HydrophobicContact CG1-CG2 4.23Å; R29-T204 PolarHBondContact NH1-O 3.28Å; R29-T204 VanDerWaalsContact NH1-O 3.11Å; T204-W208 WeakPolarHBondContact O-CB 3.36Å; T204-W208 PolarHBondContact O-N 3.05Å
205N93.2Very high96.3Very high36 Ų3645.3 Ų45.319%0.19323%0.225CC..Hα-helixtrans-71.4-33.7176.7-59.7-11.2000112.1R29 R203 P209 D228R29-N205 VanDerWaalsContact CZ-OD1 3.31Å; R29-N205 PolarHBondContact NH1-OD1 2.93Å; R29-N205 PolarHBondContact NH2-OD1 3.38Å; R203-N205 PolarHBondContact O-N 3.4Å; N205-P209 WeakPolarHBondContact O-CD 3.26Å; N205-D228 VanDerWaalsContact CB-O 3.31Å; N205-D228 WeakPolarHBondContact CB-O 3.45Å; N205-D228 VanDerWaalsContact CG-O 3.25Å; N205-D228 PolarHBondContact ND2-O 2.95Å
206E94Very high96.3Very high88 Ų8845.5 Ų45.541%0.41123%0.229SC..Hα-helixtrans-71.5-40.8172.3177.1-166.9-179.300112.2G201 C202 R203 Q210G201-E206 WeakPolarHBondContact CA-OE1 3.32Å; C202-E206 PolarHBondContact N-OE2 3.02Å; R203-E206 HydrophobicContact CB-CB 4.34Å; R203-E206 PolarHBondContact N-OE2 2.92Å; R203-E206 WeakPolarHBondContact O-CB 3.36Å; R203-E206 PolarHBondContact O-N 3Å; E206-Q210 PolarHBondContact O-NE2 3.27Å
207L95.9Very high96.1Very high0 Ų048.8 Ų48.80%024%0.243CC..Hα-helixtrans-70.8-33.4179.7-70.1167000112.4I26 L117 V119 F199 R203 Q210 V211I26-L207 HydrophobicContact CD1-CB 4.38Å; L117-L207 HydrophobicContact CD1-CD1 4.5Å; L117-L207 HydrophobicContact CD2-CD1 4.36Å; V119-L207 HydrophobicContact CG2-CD1 4.07Å; F199-L207 HydrophobicContact CB-CD2 3.78Å; R203-L207 VanDerWaalsContact O-CG 3.3Å; R203-L207 WeakPolarHBondContact O-CG 3.29Å; R203-L207 PolarHBondContact O-N 3.32Å; L207-Q210 WeakPolarHBondContact O-CB 3.3Å; L207-Q210 PolarHBondContact O-N 3.45Å; L207-V211 WeakPolarHBondContact O-CG2 3.32Å; L207-V211 PolarHBondContact O-N 3.02Å
208W97.3Very high96Very high1 Ų148.8 Ų48.80%0.00424%0.242CC..Hα-helixtrans-58.4-49.9-168.6169.2-114000114.9I26 R29 L30 D33 F34 T204 Q210 V211 F212 Y224 T225 Y227I26-W208 HydrophobicContact CD1-CB 4.13Å; I26-W208 HydrophobicContact CD1-CE3 4.31Å; R29-W208 HydrophobicContact CB-CD2 4.17Å; R29-W208 HydrophobicContact CB-CE3 3.7Å; R29-W208 HydrophobicContact CB-CH2 3.64Å; R29-W208 HydrophobicContact CB-CZ2 4.12Å; R29-W208 HydrophobicContact CB-CZ3 3.42Å; R29-W208 VanDerWaalsContact CB-CZ3 3.42Å; R29-W208 HydrophobicContact CG-CE3 4.45Å; L30-W208 HydrophobicContact CD2-CH2 4.38Å; L30-W208 HydrophobicContact CD2-CZ3 3.97Å; L30-W208 HydrophobicContact CG-CZ3 4.09Å; D33-W208 HydrophobicContact CB-CH2 4.24Å; D33-W208 HydrophobicContact CB-CZ2 4.29Å; D33-W208 VanDerWaalsContact OD2-CZ2 3.24Å; D33-W208 WeakPolarHBondContact OD2-CZ2 3.27Å; F34-W208 HydrophobicContact CE2-CH2 4.32Å; T204-W208 WeakPolarHBondContact O-CB 3.36Å; T204-W208 PolarHBondContact O-N 3.05Å; W208-Q210 PolarHBondContact O-N 3.35Å; W208-V211 PolarHBondContact O-N 3.23Å; W208-F212 HydrophobicContact CD2-CB 4.4Å; W208-F212 HydrophobicContact CH2-CB 4.18Å; W208-F212 AromaticContact CH2-CD2 3.74Å; W208-F212 HydrophobicContact CH2-CD2 3.74Å; W208-F212 HydrophobicContact CH2-CG 4.45Å; W208-F212 HydrophobicContact CZ2-CB 4.03Å; W208-F212 AromaticContact CZ2-CD2 3.52Å; W208-F212 HydrophobicContact CZ2-CD2 3.52Å; W208-F212 HydrophobicContact CZ2-CE2 4.41Å; W208-F212 HydrophobicContact CZ2-CG 4.15Å; W208-F212 HydrophobicContact CZ3-CB 4.4Å; W208-F212 WeakPolarHBondContact O-CB 3.44Å; W208-F212 PolarHBondContact O-N 2.9Å; W208-Y224 HydrophobicContact CZ2-CE2 4.5Å; W208-Y224 AromaticContact NE1-CE2 3.45Å; W208-Y224 AromaticContact NE1-CZ 3.97Å; W208-T225 PolarHBondContact NE1-O 3.32Å; W208-Y227 AromaticContact CD1-CD2 3.48Å; W208-Y227 VanDerWaalsContact CD1-CD2 3.48Å; W208-Y227 AromaticContact CD1-CE2 3.97Å; W208-Y227 HydrophobicContact CG-CD2 4.07Å; W208-Y227 HydrophobicContact CG-CE2 4.41Å; W208-Y227 AromaticContact NE1-CD2 3.64Å; W208-Y227 AromaticContact NE1-CE2 3.7Å
209P97.2Very high95.9Very high53 Ų5346.2 Ų46.234%0.34423%0.227SC..Hα-helixtrans-58.2-35.6178.3-24.533.4000113N205 K213N205-P209 WeakPolarHBondContact O-CD 3.26Å; P209-K213 VanDerWaalsContact O-CB 3.28Å; P209-K213 WeakPolarHBondContact O-CB 3.23Å; P209-K213 PolarHBondContact O-N 2.89Å
210Q97.8Very high95.7Very high78 Ų7853.7 Ų53.736%0.36426%0.259SS..Hα-helixtrans-69.5-48.8179-52177.853.800110.8F199 H200 E206 L207 W208 K213 I214F199-Q210 HydrophobicContact CD1-CB 3.68Å; F199-Q210 HydrophobicContact CE1-CB 4.16Å; F199-Q210 WeakPolarHBondContact CE1-O 3.33Å; H200-Q210 PolarHBondContact O-NE2 3.28Å; E206-Q210 PolarHBondContact O-NE2 3.27Å; L207-Q210 WeakPolarHBondContact O-CB 3.3Å; L207-Q210 PolarHBondContact O-N 3.45Å; W208-Q210 PolarHBondContact O-N 3.35Å; Q210-K213 PolarHBondContact O-N 3.17Å; Q210-I214 PolarHBondContact O-N 2.75Å; Q210-I214 VanDerWaalsContact O-N 3.11Å
211V98.5Very high95.8Very high0 Ų050.6 Ų50.60%025%0.249CC..Hα-helixtrans-60.3-48.2177.6173.60000110.6I26 L30 L115 L117 F199 L207 W208 K213 I214 F215I26-V211 HydrophobicContact CG2-CB 4.39Å; I26-V211 HydrophobicContact CG2-CG1 3.81Å; I26-V211 HydrophobicContact CG2-CG2 4.3Å; L30-V211 HydrophobicContact CD1-CG1 4.16Å; L30-V211 HydrophobicContact CD2-CG1 4.07Å; L30-V211 HydrophobicContact CG-CG1 4.34Å; L115-V211 HydrophobicContact CD1-CG1 4.23Å; L117-V211 HydrophobicContact CD2-CG2 3.94Å; F199-V211 HydrophobicContact CB-CG2 4.35Å; F199-V211 HydrophobicContact CD1-CG2 3.92Å; F199-V211 HydrophobicContact CD2-CG2 3.79Å; F199-V211 HydrophobicContact CE1-CB 4.49Å; F199-V211 HydrophobicContact CE1-CG2 4.12Å; F199-V211 HydrophobicContact CE2-CG2 4.01Å; F199-V211 HydrophobicContact CG-CG2 3.74Å; F199-V211 HydrophobicContact CZ-CG2 4.17Å; L207-V211 WeakPolarHBondContact O-CG2 3.32Å; L207-V211 PolarHBondContact O-N 3.02Å; W208-V211 PolarHBondContact O-N 3.23Å; V211-K213 PolarHBondContact O-N 2.87Å; V211-I214 PolarHBondContact O-N 2.71Å; V211-F215 VanDerWaalsContact O-CB 3.32Å; V211-F215 WeakPolarHBondContact O-CB 3.44Å; V211-F215 PolarHBondContact O-N 3.34Å
212F98.5Very high96Very high28 Ų2855.7 Ų55.712%0.12327%0.274CS..Hα-helixtrans-57.3-47.1178.3-179.7-89.4000111.8D33 F34 W208 I214 F215 S216 P221 Q223 Y224D33-F212 HydrophobicContact CB-CE2 4.2Å; F34-F212 HydrophobicContact CE1-CE2 4.38Å; F34-F212 AromaticContact CE2-CD2 3.46Å; F34-F212 HydrophobicContact CE2-CD2 3.46Å; F34-F212 VanDerWaalsContact CE2-CD2 3.46Å; F34-F212 AromaticContact CE2-CE2 3.65Å; F34-F212 HydrophobicContact CE2-CE2 3.65Å; F34-F212 HydrophobicContact CE2-CG 4.41Å; F34-F212 AromaticContact CZ-CD2 3.47Å; F34-F212 HydrophobicContact CZ-CD2 3.47Å; F34-F212 VanDerWaalsContact CZ-CD2 3.47Å; F34-F212 AromaticContact CZ-CE2 3.46Å; F34-F212 HydrophobicContact CZ-CE2 3.46Å; F34-F212 VanDerWaalsContact CZ-CE2 3.46Å; F34-F212 HydrophobicContact CZ-CG 4.18Å; F34-F212 HydrophobicContact CZ-CZ 4.16Å; W208-F212 HydrophobicContact CD2-CB 4.4Å; W208-F212 HydrophobicContact CH2-CB 4.18Å; W208-F212 AromaticContact CH2-CD2 3.74Å; W208-F212 HydrophobicContact CH2-CD2 3.74Å; W208-F212 HydrophobicContact CH2-CG 4.45Å; W208-F212 HydrophobicContact CZ2-CB 4.03Å; W208-F212 AromaticContact CZ2-CD2 3.52Å; W208-F212 HydrophobicContact CZ2-CD2 3.52Å; W208-F212 HydrophobicContact CZ2-CE2 4.41Å; W208-F212 HydrophobicContact CZ2-CG 4.15Å; W208-F212 HydrophobicContact CZ3-CB 4.4Å; W208-F212 WeakPolarHBondContact O-CB 3.44Å; W208-F212 PolarHBondContact O-N 2.9Å; F212-I214 PolarHBondContact O-N 3.45Å; F212-F215 PolarHBondContact O-N 3.27Å; F212-S216 WeakPolarHBondContact O-CB 3.05Å; F212-S216 PolarHBondContact O-N 3.17Å; F212-S216 PolarHBondContact O-OG 2.9Å; F212-P221 HydrophobicContact CE2-CB 3.94Å; F212-P221 HydrophobicContact CZ-CB 3.62Å; F212-P221 HydrophobicContact CZ-CG 4.09Å; F212-Q223 WeakPolarHBondContact CE2-O 3.31Å; F212-Y224 HydrophobicContact CB-CD2 4.41Å; F212-Y224 HydrophobicContact CB-CE2 4.15Å; F212-Y224 AromaticContact CD1-CD2 3.55Å; F212-Y224 HydrophobicContact CD1-CD2 3.55Å; F212-Y224 AromaticContact CD1-CE2 3.86Å; F212-Y224 HydrophobicContact CD1-CE2 3.86Å; F212-Y224 AromaticContact CD2-CD2 3.62Å; F212-Y224 HydrophobicContact CD2-CD2 3.62Å; F212-Y224 HydrophobicContact CD2-CE2 4.18Å; F212-Y224 AromaticContact CE1-CD2 3.59Å; F212-Y224 HydrophobicContact CE1-CD2 3.59Å; F212-Y224 HydrophobicContact CE1-CE2 4.33Å; F212-Y224 HydrophobicContact CE1-CG 4.25Å; F212-Y224 AromaticContact CE2-CD2 3.66Å; F212-Y224 HydrophobicContact CE2-CD2 3.66Å; F212-Y224 HydrophobicContact CE2-CG 4.41Å; F212-Y224 AromaticContact CG-CD2 3.58Å; F212-Y224 HydrophobicContact CG-CD2 3.58Å; F212-Y224 AromaticContact CG-CE2 3.78Å; F212-Y224 HydrophobicContact CG-CE2 3.78Å; F212-Y224 AromaticContact CZ-CD2 3.64Å; F212-Y224 HydrophobicContact CZ-CD2 3.64Å; F212-Y224 HydrophobicContact CZ-CG 4.16Å
213K98.2Very high96.3Very high152 Ų15257.8 Ų57.866%0.66128%0.279SS*.Hα-helixtrans-60.3-44.5-180179.9-179.4178.9-1790112.3P209 Q210 V211P209-K213 VanDerWaalsContact O-CB 3.28Å; P209-K213 WeakPolarHBondContact O-CB 3.23Å; P209-K213 PolarHBondContact O-N 2.89Å; Q210-K213 PolarHBondContact O-N 3.17Å; V211-K213 PolarHBondContact O-N 2.87Å
214I98Very high96.6Very high38 Ų3857.5 Ų57.520%0.19528%0.278CS..Hα-helixtrans-70.6-46.9178.7-67.3-59.5000110.7L115 H197 F199 Q210 V211 F212 S216 Q217 F218L115-I214 HydrophobicContact CD2-CG2 4.49Å; H197-I214 HydrophobicContact CB-CG2 3.98Å; F199-I214 HydrophobicContact CE1-CB 3.94Å; F199-I214 HydrophobicContact CE1-CG1 3.6Å; F199-I214 HydrophobicContact CZ-CB 3.75Å; F199-I214 HydrophobicContact CZ-CG1 3.86Å; F199-I214 HydrophobicContact CZ-CG2 3.96Å; Q210-I214 PolarHBondContact O-N 2.75Å; Q210-I214 VanDerWaalsContact O-N 3.11Å; V211-I214 PolarHBondContact O-N 2.71Å; F212-I214 PolarHBondContact O-N 3.45Å; I214-S216 PolarHBondContact O-N 2.95Å; I214-Q217 VanDerWaalsContact O-CB 3.27Å; I214-Q217 WeakPolarHBondContact O-CB 3.09Å; I214-Q217 WeakPolarHBondContact O-CG 3.05Å; I214-Q217 PolarHBondContact O-N 3.13Å; I214-F218 HydrophobicContact CG2-CE2 4.2Å; I214-F218 WeakPolarHBondContact O-CD2 3.41Å
215F97.9Very high96.8Very high1 Ų157.4 Ų57.40%0.00428%0.278CS..Hα-helixtrans-65.2-27.8-177.3-161.9-106.6000112.9V11 A13 L30 F34 L36 L115 V211 F212 Q217 F218 V219V11-F215 HydrophobicContact CG1-CE2 4.37Å; V11-F215 HydrophobicContact CG1-CZ 4.49Å; A13-F215 HydrophobicContact CB-CE2 3.77Å; A13-F215 HydrophobicContact CB-CZ 4.44Å; L30-F215 HydrophobicContact CD2-CB 3.95Å; L30-F215 HydrophobicContact CD2-CD1 3.6Å; L30-F215 HydrophobicContact CD2-CE1 4.23Å; L30-F215 HydrophobicContact CD2-CG 3.78Å; F34-F215 HydrophobicContact CB-CD1 4.39Å; F34-F215 HydrophobicContact CB-CE1 4Å; F34-F215 AromaticContact CD1-CD1 3.7Å; F34-F215 HydrophobicContact CD1-CD1 3.7Å; F34-F215 HydrophobicContact CD1-CE1 4.02Å; F34-F215 AromaticContact CD2-CD1 3.73Å; F34-F215 HydrophobicContact CD2-CD1 3.73Å; F34-F215 HydrophobicContact CD2-CE1 4.13Å; F34-F215 AromaticContact CE1-CD1 3.81Å; F34-F215 HydrophobicContact CE1-CD1 3.81Å; F34-F215 AromaticContact CE2-CD1 3.82Å; F34-F215 HydrophobicContact CE2-CD1 3.82Å; F34-F215 AromaticContact CG-CD1 3.67Å; F34-F215 HydrophobicContact CG-CD1 3.67Å; F34-F215 AromaticContact CG-CE1 3.78Å; F34-F215 HydrophobicContact CG-CE1 3.78Å; F34-F215 HydrophobicContact CZ-CB 4.29Å; F34-F215 AromaticContact CZ-CD1 3.86Å; F34-F215 HydrophobicContact CZ-CD1 3.86Å; L36-F215 HydrophobicContact CD2-CE1 3.63Å; L36-F215 HydrophobicContact CD2-CZ 3.78Å; L115-F215 HydrophobicContact CD1-CD2 3.94Å; L115-F215 HydrophobicContact CD1-CE2 4.42Å; L115-F215 HydrophobicContact CD2-CD2 4.47Å; V211-F215 VanDerWaalsContact O-CB 3.32Å; V211-F215 WeakPolarHBondContact O-CB 3.44Å; V211-F215 PolarHBondContact O-N 3.34Å; F212-F215 PolarHBondContact O-N 3.27Å; F215-Q217 PolarHBondContact O-N 3.34Å; F215-Q217 VanDerWaalsContact O-N 3.11Å; F215-F218 PolarHBondContact O-N 3.21Å; F215-V219 HydrophobicContact CD1-CB 4.34Å; F215-V219 HydrophobicContact CD1-CG2 4.5Å; F215-V219 HydrophobicContact CE1-CB 3.83Å; F215-V219 HydrophobicContact CE1-CG2 3.68Å; F215-V219 HydrophobicContact CZ-CB 4.37Å; F215-V219 HydrophobicContact CZ-CG2 3.7Å; F215-V219 PolarHBondContact O-N 3.11Å
216S97.6Very high96.9Very high33 Ų3363.2 Ų63.223%0.23130%0.304CS..THydrogen-bonded Turntrans-60.9-16.5172.1-63.10000114.5F212 I214 F218 V219F212-S216 WeakPolarHBondContact O-CB 3.05Å; F212-S216 PolarHBondContact O-N 3.17Å; F212-S216 PolarHBondContact O-OG 2.9Å; I214-S216 PolarHBondContact O-N 2.95Å; S216-F218 VanDerWaalsContact C-N 3.31Å; S216-V219 WeakPolarHBondContact CA-O 3.24Å
217Q95.9Very high96.7Very high105 Ų10561.9 Ų61.949%0.49130%0.296SS..THydrogen-bonded Turntrans-79.7-16173-56.3176.711.300112.5F7 I214 F215F7-Q217 VanDerWaalsContact CE1-O 3.31Å; F7-Q217 WeakPolarHBondContact CE1-O 3.42Å; I214-Q217 VanDerWaalsContact O-CB 3.27Å; I214-Q217 WeakPolarHBondContact O-CB 3.09Å; I214-Q217 WeakPolarHBondContact O-CG 3.05Å; I214-Q217 PolarHBondContact O-N 3.13Å; F215-Q217 PolarHBondContact O-N 3.34Å; F215-Q217 VanDerWaalsContact O-N 3.11Å
218F95.6Very high96Very high42 Ų4268 Ų6818%0.18433%0.329CS..THydrogen-bonded Turntrans-108.5-37.6-177.2-65.3-88.6000112.2F7 V11 C113 H197 I214 F215 S216F7-F218 WeakPolarHBondContact CD1-O 3.44Å; F7-F218 WeakPolarHBondContact CE1-O 3.31Å; V11-F218 HydrophobicContact CG1-CB 4.22Å; V11-F218 HydrophobicContact CG2-CB 3.96Å; V11-F218 WeakPolarHBondContact CG2-O 3.32Å; C113-F218 HydrophobicContact CB-CD1 3.92Å; C113-F218 HydrophobicContact CB-CD2 4.46Å; C113-F218 HydrophobicContact CB-CE1 3.79Å; C113-F218 HydrophobicContact CB-CE2 4.35Å; C113-F218 HydrophobicContact CB-CG 4.26Å; C113-F218 HydrophobicContact CB-CZ 4.02Å; H197-F218 AromaticContact NE2-CE2 3.57Å; H197-F218 AromaticContact NE2-CZ 3.31Å; H197-F218 VanDerWaalsContact NE2-CZ 3.31Å; H197-F218 WeakPolarHBondContact NE2-CZ 3.22Å; I214-F218 HydrophobicContact CG2-CE2 4.2Å; I214-F218 WeakPolarHBondContact O-CD2 3.41Å; F215-F218 PolarHBondContact O-N 3.21Å; S216-F218 VanDerWaalsContact C-N 3.31Å
219V95.8Very high94.6Very high7 Ų772.4 Ų72.44%0.04236%0.355CS..SBendtrans-133131.5179.9-174.80000108.4V11 F34 N89 F215 S216V11-V219 HydrophobicContact CB-CG2 3.83Å; V11-V219 HydrophobicContact CG1-CG2 4.13Å; V11-V219 HydrophobicContact CG2-CG2 3.66Å; F34-V219 HydrophobicContact CB-CG1 4.12Å; F34-V219 HydrophobicContact CD1-CB 3.93Å; F34-V219 HydrophobicContact CD1-CG1 4.05Å; F34-V219 WeakPolarHBondContact CD1-O 3.36Å; F34-V219 VanDerWaalsContact CE1-O 3.27Å; F34-V219 WeakPolarHBondContact CE1-O 3.37Å; N89-V219 HydrophobicContact CB-CG2 4.32Å; F215-V219 HydrophobicContact CD1-CB 4.34Å; F215-V219 HydrophobicContact CD1-CG2 4.5Å; F215-V219 HydrophobicContact CE1-CB 3.83Å; F215-V219 HydrophobicContact CE1-CG2 3.68Å; F215-V219 HydrophobicContact CZ-CB 4.37Å; F215-V219 HydrophobicContact CZ-CG2 3.7Å; F215-V219 PolarHBondContact O-N 3.11Å; S216-V219 WeakPolarHBondContact CA-O 3.24Å
220K95.6Very high92.6Very high163 Ų16378.4 Ų78.471%0.70938%0.384SS*.  trans-62.2126174.4-175.9-178.7176.4-175.60109.5
221P97.3Very high92.3Very high49 Ų4978.4 Ų78.432%0.31839%0.385SS..BIsolated β-bridgetrans-67.2144.5177.126.5-33000111.2F34 F212F34-P221 HydrophobicContact CD1-CB 4.13Å; F34-P221 HydrophobicContact CE1-CB 3.67Å; F34-P221 HydrophobicContact CE1-CG 4.39Å; F34-P221 HydrophobicContact CZ-CB 4.15Å; F212-P221 HydrophobicContact CE2-CB 3.94Å; F212-P221 HydrophobicContact CZ-CB 3.62Å; F212-P221 HydrophobicContact CZ-CG 4.09Å
222I97.5Very high92Very high116 Ų11682.5 Ų82.560%0.59541%0.406SS*.SBendtrans-82.5-38.4169.8-57.4170000109.3D33 A35D33-I222 PolarHBondContact O-N 3.47Å; A35-I222 HydrophobicContact CB-CD1 4Å; A35-I222 HydrophobicContact CB-CG1 4.48Å
223Q97.6Very high91.6Very high89 Ų8985.6 Ų85.642%0.41642%0.421SS..  trans-157.3179.817968.3-172.91300109.8D33 F212D33-Q223 HydrophobicContact CB-CG 4.25Å; D33-Q223 VanDerWaalsContact OD1-CG 3.28Å; D33-Q223 WeakPolarHBondContact OD1-CG 3.43Å; D33-Q223 PolarHBondContact OD1-NE2 3.31Å; F212-Q223 WeakPolarHBondContact CE2-O 3.31Å
224Y97.1Very high91.3Very high101 Ų10181.6 Ų81.640%0.39641%0.407SS..  trans-128.6125.7165.5175.7-106.7000109.2W208 F212 E226W208-Y224 HydrophobicContact CZ2-CE2 4.5Å; W208-Y224 AromaticContact NE1-CE2 3.45Å; W208-Y224 AromaticContact NE1-CZ 3.97Å; F212-Y224 HydrophobicContact CB-CD2 4.41Å; F212-Y224 HydrophobicContact CB-CE2 4.15Å; F212-Y224 AromaticContact CD1-CD2 3.55Å; F212-Y224 HydrophobicContact CD1-CD2 3.55Å; F212-Y224 AromaticContact CD1-CE2 3.86Å; F212-Y224 HydrophobicContact CD1-CE2 3.86Å; F212-Y224 AromaticContact CD2-CD2 3.62Å; F212-Y224 HydrophobicContact CD2-CD2 3.62Å; F212-Y224 HydrophobicContact CD2-CE2 4.18Å; F212-Y224 AromaticContact CE1-CD2 3.59Å; F212-Y224 HydrophobicContact CE1-CD2 3.59Å; F212-Y224 HydrophobicContact CE1-CE2 4.33Å; F212-Y224 HydrophobicContact CE1-CG 4.25Å; F212-Y224 AromaticContact CE2-CD2 3.66Å; F212-Y224 HydrophobicContact CE2-CD2 3.66Å; F212-Y224 HydrophobicContact CE2-CG 4.41Å; F212-Y224 AromaticContact CG-CD2 3.58Å; F212-Y224 HydrophobicContact CG-CD2 3.58Å; F212-Y224 AromaticContact CG-CE2 3.78Å; F212-Y224 HydrophobicContact CG-CE2 3.78Å; F212-Y224 AromaticContact CZ-CD2 3.64Å; F212-Y224 HydrophobicContact CZ-CD2 3.64Å; F212-Y224 HydrophobicContact CZ-CG 4.16Å; Y224-E226 HydrophobicContact CE1-CB 3.98Å; Y224-E226 HydrophobicContact CE1-CG 4.48Å
225T96.6Very high90.8Very high26 Ų2684.4 Ų84.416%0.1642%0.421CS..  trans-98.5120.5170.6-53.20000109.5K32 D33 W208 Y227K32-T225 WeakPolarHBondContact CE-OG1 3.48Å; K32-T225 VanDerWaalsContact NZ-CG2 3.32Å; K32-T225 PolarHBondContact NZ-OG1 2.94Å; D33-T225 PolarHBondContact OD1-OG1 2.81Å; D33-T225 WeakPolarHBondContact OD2-CB 3.47Å; D33-T225 PolarHBondContact OD2-N 3.22Å; D33-T225 PolarHBondContact OD2-OG1 3.22Å; W208-T225 PolarHBondContact NE1-O 3.32Å; T225-Y227 HydrophobicContact CG2-CD2 4.3Å; T225-Y227 HydrophobicContact CG2-CE1 4.03Å; T225-Y227 HydrophobicContact CG2-CE2 3.63Å; T225-Y227 VanDerWaalsContact CG2-CZ 3.45Å; T225-Y227 WeakPolarHBondContact CG2-OH 3.33Å; T225-Y227 WeakPolarHBondContact O-CD2 3.34Å; T225-Y227 WeakPolarHBondContact O-CE2 3.5Å
226E94.2Very high90.4Very high158 Ų15889.9 Ų89.974%0.73845%0.448SS*.  trans-80.6143.1170.6-169163.6-159.800110.6Y224Y224-E226 HydrophobicContact CE1-CB 3.98Å; Y224-E226 HydrophobicContact CE1-CG 4.48Å
227Y90.4Very high89.8Confident60 Ų6094 Ų9424%0.23546%0.464CS..  trans-131.3128.4177.6-63.2-88.6000108.5R29 W208 T225 T229R29-Y227 HydrophobicContact CB-CE2 4.5Å; R29-Y227 VanDerWaalsContact CD-CE2 3.45Å; R29-Y227 HydrophobicContact CG-CE2 3.8Å; W208-Y227 AromaticContact CD1-CD2 3.48Å; W208-Y227 VanDerWaalsContact CD1-CD2 3.48Å; W208-Y227 AromaticContact CD1-CE2 3.97Å; W208-Y227 HydrophobicContact CG-CD2 4.07Å; W208-Y227 HydrophobicContact CG-CE2 4.41Å; W208-Y227 AromaticContact NE1-CD2 3.64Å; W208-Y227 AromaticContact NE1-CE2 3.7Å; T225-Y227 HydrophobicContact CG2-CD2 4.3Å; T225-Y227 HydrophobicContact CG2-CE1 4.03Å; T225-Y227 HydrophobicContact CG2-CE2 3.63Å; T225-Y227 VanDerWaalsContact CG2-CZ 3.45Å; T225-Y227 WeakPolarHBondContact CG2-OH 3.33Å; T225-Y227 WeakPolarHBondContact O-CD2 3.34Å; T225-Y227 WeakPolarHBondContact O-CE2 3.5Å; Y227-T229 PolarHBondContact O-N 2.91Å
228D82Confident89.4Confident129 Ų12993.2 Ų93.269%0.6946%0.462SS*.  trans-55.2130.2-178.9-66.4-34.9000111.4N205 N230N205-D228 VanDerWaalsContact CB-O 3.31Å; N205-D228 WeakPolarHBondContact CB-O 3.45Å; N205-D228 VanDerWaalsContact CG-O 3.25Å; N205-D228 PolarHBondContact ND2-O 2.95Å; D228-N230 VanDerWaalsContact C-N 3.25Å; D228-N230 PolarHBondContact O-N 3Å
229T67.8Low88.9Confident92 Ų9297.4 Ų97.456%0.56449%0.485SS*.  trans-80.4-5.9-177.5480000114.1Y227Y227-T229 PolarHBondContact O-N 2.91Å
230N54.6Low88.2Confident179 Ų179105.6 Ų105.696%0.95753%0.525SS*.  trans-730-177.1-61.8-29.4000112.7R203 D228R203-N230 PolarHBondContact NH1-OXT 2.57Å; D228-N230 VanDerWaalsContact C-N 3.25Å; D228-N230 PolarHBondContact O-N 3Å

Retrieved 230 of 230 residues in 51.9 ms (Link to these results)

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