G4VHJ2_SCHMA Loading...

Small monomeric GTPase

AlphaFold DB , UniProt , Accession G4VHJ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 223 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.6Very low71.3Confident234 Ų234106.5 Ų106.5100%1.15353%0.532SS*.  099.40-171.5-179.3-81.500104.8I3M1-I3 PolarHBondContact O-N 3.35Å
2D41.5Very low73.3Confident160 Ų160100.9 Ų100.986%0.85650%0.502SS*.  trans-67.9124.3-172.4-62.8-45.4000109.4P4D2-P4 WeakPolarHBondContact O-CD 3.49Å
3I50.3Low75.2Confident119 Ų11993.2 Ų93.261%0.6146%0.463SS*.  trans-59.8125.5166.7-57.9169.6000104.7M1 E5M1-I3 PolarHBondContact O-N 3.35Å; I3-E5 HydrophobicContact CB-CG 4.1Å; I3-E5 HydrophobicContact CG2-CG 3.94Å; I3-E5 PolarHBondContact O-N 2.95Å
4P50.7Low76.7Confident87 Ų8786.5 Ų86.557%0.56543%0.43SS*.  trans-69.678.2169.128-28.9000106.9D2 N6 I51D2-P4 WeakPolarHBondContact O-CD 3.49Å; P4-N6 PolarHBondContact O-N 3.34Å; P4-N6 VanDerWaalsContact O-N 3.13Å; P4-I51 WeakPolarHBondContact O-CD1 3.45Å
5E62.1Low78.1Confident148 Ų14880.7 Ų80.769%0.69240%0.402SS*.  trans-63.9-12.3175.2-71-167.6158.400111.3I3 Y7I3-E5 HydrophobicContact CB-CG 4.1Å; I3-E5 HydrophobicContact CG2-CG 3.94Å; I3-E5 PolarHBondContact O-N 2.95Å; E5-Y7 WeakPolarHBondContact O-CD1 3.5Å; E5-Y7 WeakPolarHBondContact O-CE1 3.24Å; E5-Y7 PolarHBondContact O-N 3.47Å; E5-Y7 VanDerWaalsContact O-N 3.16Å
6N84Confident79.3Confident147 Ų14775.8 Ų75.879%0.78638%0.377SS*.  trans-82.594.8179.1-140.816.3000110.4P4P4-N6 PolarHBondContact O-N 3.34Å; P4-N6 VanDerWaalsContact O-N 3.13Å
7Y88.7Confident80.3Confident71 Ų7171.4 Ų71.428%0.27836%0.355SS..  trans-110.9146167.754.7-91.5000109.8E5 Y9 L10 K60E5-Y7 WeakPolarHBondContact O-CD1 3.5Å; E5-Y7 WeakPolarHBondContact O-CE1 3.24Å; E5-Y7 PolarHBondContact O-N 3.47Å; E5-Y7 VanDerWaalsContact O-N 3.16Å; Y7-Y9 VanDerWaalsContact CD2-O 3.26Å; Y7-Y9 WeakPolarHBondContact CD2-O 3.41Å; Y7-L10 HydrophobicContact CD2-CB 4.43Å; Y7-L10 HydrophobicContact CE2-CB 3.83Å; Y7-L10 HydrophobicContact CE2-CD1 4.26Å; Y7-K60 HydrophobicContact CD1-CB 3.62Å; Y7-K60 HydrophobicContact CD1-CD 3.81Å; Y7-K60 HydrophobicContact CD1-CG 4.35Å; Y7-K60 HydrophobicContact CD2-CB 3.83Å; Y7-K60 HydrophobicContact CE1-CB 4Å; Y7-K60 HydrophobicContact CE1-CD 3.46Å; Y7-K60 VanDerWaalsContact CE1-CD 3.46Å; Y7-K60 HydrophobicContact CE1-CG 4.38Å; Y7-K60 HydrophobicContact CE2-CB 4.18Å; Y7-K60 HydrophobicContact CG-CB 3.52Å
8K90.6Very high81.1Confident135 Ų13567.6 Ų67.659%0.58734%0.337SS*.SBendtrans-77.8-38.1178.4-170.7176.8-177178.20111.7T57 T58K8-T57 HydrophobicContact CB-CG2 4.08Å; K8-T57 HydrophobicContact CD-CG2 4.08Å; K8-T58 PolarHBondContact N-O 3.29Å
9Y92.1Very high81.8Confident34 Ų3465.8 Ų65.813%0.13333%0.332CS..EExtended strand (participates in β ladder)trans-131.6145.4-177.6-53.9-52.2000111.4Y7 F11 T57 V59 K60 V173 I176 L183Y7-Y9 VanDerWaalsContact CD2-O 3.26Å; Y7-Y9 WeakPolarHBondContact CD2-O 3.41Å; Y9-F11 HydrophobicContact CD2-CZ 4.28Å; Y9-F11 HydrophobicContact CG-CE1 4.3Å; Y9-F11 HydrophobicContact CG-CZ 4.37Å; Y9-T57 HydrophobicContact CD2-CG2 3.65Å; Y9-T57 HydrophobicContact CE2-CG2 3.67Å; Y9-V59 HydrophobicContact CD2-CG2 4.28Å; Y9-V59 WeakPolarHBondContact O-CA 3.22Å; Y9-K60 PolarHBondContact O-N 2.69Å; Y9-V173 HydrophobicContact CD2-CG2 4.14Å; Y9-V173 HydrophobicContact CE2-CG2 4.37Å; Y9-I176 HydrophobicContact CD2-CD1 4.44Å; Y9-I176 HydrophobicContact CE1-CG2 4.12Å; Y9-I176 HydrophobicContact CE2-CD1 4.44Å; Y9-I176 HydrophobicContact CE2-CG2 4.49Å; Y9-L183 HydrophobicContact CD1-CD1 3.38Å; Y9-L183 HydrophobicContact CE1-CD1 3.95Å; Y9-L183 HydrophobicContact CG-CD1 3.91Å
10L93.1Very high82.4Confident37 Ų3764.9 Ų64.919%0.19434%0.339CS..EExtended strand (participates in β ladder)trans-109.5119.7169.6-176.764.5000108.2Y7 K60 Q62 C188Y7-L10 HydrophobicContact CD2-CB 4.43Å; Y7-L10 HydrophobicContact CE2-CB 3.83Å; Y7-L10 HydrophobicContact CE2-CD1 4.26Å; L10-K60 CarbonylContact C-O 3.57Å; L10-K60 WeakPolarHBondContact CA-O 3.33Å; L10-K60 HydrophobicContact CD1-CB 3.83Å; L10-K60 HydrophobicContact CD1-CD 3.98Å; L10-K60 HydrophobicContact CD1-CG 3.76Å; L10-Q62 HydrophobicContact CD1-CG 3.78Å; L10-C188 HydrophobicContact CB-CB 4.46Å; L10-C188 VanDerWaalsContact CB-SG 3.52Å
11F95.2Very high83Confident0 Ų061.8 Ų61.80%032%0.323CS..EExtended strand (participates in β ladder)trans-112.8128.3175.8-64.8-20.6000111.2Y9 F13 V59 K60 I61 Q62 V84 V169 L172 V173 I176 L183Y9-F11 HydrophobicContact CD2-CZ 4.28Å; Y9-F11 HydrophobicContact CG-CE1 4.3Å; Y9-F11 HydrophobicContact CG-CZ 4.37Å; F11-F13 HydrophobicContact CB-CD2 3.96Å; F11-F13 HydrophobicContact CB-CE2 3.66Å; F11-F13 HydrophobicContact CD2-CE2 4.23Å; F11-F13 HydrophobicContact CG-CE2 4.38Å; F11-V59 HydrophobicContact CB-CG1 4.39Å; F11-V59 HydrophobicContact CD2-CG1 3.49Å; F11-V59 VanDerWaalsContact CD2-CG1 3.49Å; F11-V59 HydrophobicContact CE2-CG1 3.81Å; F11-V59 HydrophobicContact CE2-CG2 4.39Å; F11-V59 HydrophobicContact CG-CG1 3.9Å; F11-V59 HydrophobicContact CZ-CG1 4.46Å; F11-K60 PolarHBondContact N-O 3.19Å; F11-I61 CarbonylContact O-C 3.09Å; F11-I61 WeakPolarHBondContact O-CA 3.4Å; F11-Q62 PolarHBondContact O-N 3.1Å; F11-V84 HydrophobicContact CB-CG2 3.77Å; F11-V84 HydrophobicContact CD1-CG2 4.06Å; F11-V84 HydrophobicContact CG-CG2 4.03Å; F11-V169 HydrophobicContact CD2-CG1 4.22Å; F11-V169 HydrophobicContact CD2-CG2 4.28Å; F11-V169 HydrophobicContact CE2-CG1 4.01Å; F11-L172 HydrophobicContact CD2-CB 4.21Å; F11-L172 HydrophobicContact CD2-CD1 3.7Å; F11-L172 HydrophobicContact CE2-CB 3.51Å; F11-L172 HydrophobicContact CE2-CD1 3.9Å; F11-L172 HydrophobicContact CE2-CG 4.37Å; F11-L172 HydrophobicContact CG-CD1 4.18Å; F11-L172 HydrophobicContact CZ-CB 3.71Å; F11-V173 HydrophobicContact CE2-CG2 4.09Å; F11-V173 HydrophobicContact CZ-CG2 4.15Å; F11-I176 HydrophobicContact CE1-CD1 3.69Å; F11-I176 HydrophobicContact CZ-CD1 3.57Å; F11-L183 HydrophobicContact CD1-CD2 4.26Å; F11-L183 HydrophobicContact CE1-CD1 3.96Å; F11-L183 HydrophobicContact CE1-CD2 3.91Å; F11-L183 HydrophobicContact CE1-CG 4.49Å
12K95Very high85.9Confident39 Ų3951.2 Ų51.217%0.1727%0.274CS..EExtended strand (participates in β ladder)trans-90.9124.1170.7-176.6177.7174-176.90109.9Q62 W64 Y79 H81 D82 A83 V84 G85K12-Q62 CarbonylContact C-O 3.58Å; K12-Q62 WeakPolarHBondContact CA-O 3.09Å; K12-W64 VanDerWaalsContact CE-CD1 3.49Å; K12-Y79 WeakPolarHBondContact CE-O 3.06Å; K12-Y79 PolarHBondContact NZ-O 3.3Å; K12-H81 WeakPolarHBondContact CE-O 3.32Å; K12-H81 PolarHBondContact NZ-O 3.3Å; K12-D82 HydrophobicContact CD-CB 4.47Å; K12-A83 HydrophobicContact CG-CB 4.39Å; K12-V84 WeakPolarHBondContact O-CG2 3.34Å; K12-V84 PolarHBondContact O-N 2.88Å; K12-G85 PolarHBondContact O-N 2.83Å
13F97.3Very high88.5Confident0 Ų044 Ų440%024%0.236CC..EExtended strand (participates in β ladder)trans-116.1146.4178.2-85.3-112.6000110.8F11 I61 Q62 I63 W64 G85 F165 C168 V169 L172F11-F13 HydrophobicContact CB-CD2 3.96Å; F11-F13 HydrophobicContact CB-CE2 3.66Å; F11-F13 HydrophobicContact CD2-CE2 4.23Å; F11-F13 HydrophobicContact CG-CE2 4.38Å; F13-I61 HydrophobicContact CB-CG2 4.2Å; F13-I61 HydrophobicContact CD2-CG2 3.52Å; F13-I61 HydrophobicContact CE2-CG2 4.05Å; F13-I61 HydrophobicContact CG-CG2 3.94Å; F13-Q62 PolarHBondContact N-O 3.06Å; F13-I63 HydrophobicContact CB-CG1 4.25Å; F13-I63 WeakPolarHBondContact O-CA 3.47Å; F13-W64 PolarHBondContact O-N 2.85Å; F13-G85 CarbonylContact C-O 3.43Å; F13-G85 VanDerWaalsContact CA-O 3.23Å; F13-G85 WeakPolarHBondContact CA-O 3.04Å; F13-F165 HydrophobicContact CD1-CD1 4.04Å; F13-F165 HydrophobicContact CD1-CE1 4.32Å; F13-F165 HydrophobicContact CE1-CD1 4.31Å; F13-C168 HydrophobicContact CE1-CB 3.66Å; F13-C168 WeakPolarHBondContact CE1-SG 3.41Å; F13-C168 HydrophobicContact CZ-CB 3.8Å; F13-C168 WeakPolarHBondContact CZ-SG 3.36Å; F13-V169 HydrophobicContact CE2-CG2 4.19Å; F13-V169 HydrophobicContact CZ-CG2 3.93Å; F13-L172 HydrophobicContact CE2-CD1 4.01Å; F13-L172 HydrophobicContact CZ-CD1 3.93Å
14L96.9Very high90.6Very high0 Ų039 Ų390%021%0.21CC..EExtended strand (participates in β ladder)trans-108.1148.9168.1-60.4170.2000110.2I16 W64 Y80 A83 G85 A86 L87L14-I16 HydrophobicContact CB-CG2 4.03Å; L14-W64 HydrophobicContact CD2-CB 4.02Å; L14-Y80 HydrophobicContact CD1-CD1 3.98Å; L14-Y80 HydrophobicContact CD1-CD2 3.95Å; L14-Y80 HydrophobicContact CD1-CE1 4.38Å; L14-Y80 HydrophobicContact CD1-CE2 4.36Å; L14-Y80 HydrophobicContact CD1-CG 3.77Å; L14-A83 HydrophobicContact CD1-CB 3.63Å; L14-A83 HydrophobicContact CD2-CB 4.3Å; L14-A83 HydrophobicContact CG-CB 3.59Å; L14-G85 PolarHBondContact N-O 3.47Å; L14-A86 HydrophobicContact CB-CB 4.09Å; L14-A86 CarbonylContact O-C 3.59Å; L14-A86 VanDerWaalsContact O-CA 3.31Å; L14-A86 WeakPolarHBondContact O-CA 3.45Å; L14-L87 PolarHBondContact O-N 3.38Å
15I97.7Very high92.8Very high0 Ų035.8 Ų35.80%019%0.19CC..EExtended strand (participates in β ladder)trans-115.5118158.5-49.3177.3000107.2K23 I26 L27 I63 W64 T66 L87 V89 F165I15-K23 HydrophobicContact CB-CB 4.37Å; I15-K23 HydrophobicContact CG2-CB 3.54Å; I15-K23 HydrophobicContact CG2-CD 4.13Å; I15-K23 HydrophobicContact CG2-CG 3.72Å; I15-I26 HydrophobicContact CD1-CG2 4.31Å; I15-L27 HydrophobicContact CD1-CB 3.91Å; I15-L27 HydrophobicContact CD1-CD1 4.42Å; I15-I63 HydrophobicContact CD1-CG2 3.65Å; I15-I63 HydrophobicContact CG1-CG2 3.62Å; I15-W64 PolarHBondContact N-O 2.72Å; I15-T66 PolarHBondContact O-N 2.95Å; I15-T66 PolarHBondContact O-OG1 3.29Å; I15-L87 HydrophobicContact CG2-CB 4.34Å; I15-V89 HydrophobicContact CG2-CG2 3.57Å; I15-F165 HydrophobicContact CD1-CZ 4.19Å
16I97Very high94.5Very high1 Ų128.8 Ų28.81%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-131.1158.7-172.658.1169.4000110.8L14 K23 T66 Y80 A86 L87 L88 V89 W104 A108L14-I16 HydrophobicContact CB-CG2 4.03Å; I16-K23 VanDerWaalsContact C-CD 3.5Å; I16-T66 HydrophobicContact CG2-CG2 4.32Å; I16-Y80 HydrophobicContact CG2-CE2 4.04Å; I16-Y80 WeakPolarHBondContact CG2-OH 3.17Å; I16-A86 HydrophobicContact CD1-CB 4.5Å; I16-L87 WeakPolarHBondContact CG1-O 3.42Å; I16-L87 PolarHBondContact N-O 2.85Å; I16-L88 HydrophobicContact CD1-CD1 3.99Å; I16-L88 HydrophobicContact CG1-CB 4.49Å; I16-L88 HydrophobicContact CG1-CD1 4.01Å; I16-V89 PolarHBondContact O-N 3.27Å; I16-W104 HydrophobicContact CB-CE3 4.05Å; I16-W104 HydrophobicContact CD1-CB 4.44Å; I16-A108 HydrophobicContact CD1-CB 3.76Å
17G96.6Very high95.2Very high1 Ų121.9 Ų21.91%0.0112%0.12CC..  trans135.8172.4-176.300000112.8K23 G68 V89 W104G17-K23 WeakPolarHBondContact O-CE 3.34Å; G17-K23 PolarHBondContact O-NZ 3.04Å; G17-G68 VanDerWaalsContact O-CA 3.28Å; G17-G68 WeakPolarHBondContact O-CA 3.25Å; G17-V89 WeakPolarHBondContact CA-O 3.4Å; G17-W104 VanDerWaalsContact C-CE2 3.47Å; G17-W104 WeakPolarHBondContact O-CZ2 3.44Å
18A95.3Very high95.5Very high3 Ų321.1 Ų21.13%0.02512%0.117CC..SBendtrans-56.3158.7-173.400000113.8S21 K23 E100A18-S21 PolarHBondContact O-N 3.11Å; A18-S21 PolarHBondContact O-OG 3.33Å; A18-K23 PolarHBondContact O-NZ 3.03Å; A18-E100 VanDerWaalsContact CB-OE2 3.32Å; A18-E100 WeakPolarHBondContact CB-OE2 3.35Å
19S93.7Very high95.8Very high35 Ų3517.2 Ų17.225%0.24510%0.098CC..THydrogen-bonded Turntrans-58.7141.4171.3-167.90000110.5S21 H41 G68 Q69S19-S21 PolarHBondContact O-N 3.31Å; S19-H41 PolarHBondContact OG-ND1 3.47Å; S19-H41 VanDerWaalsContact OG-ND1 3.15Å; S19-G68 PolarHBondContact N-O 2.83Å; S19-Q69 PolarHBondContact OG-NE2 2.9Å
20G93.6Very high96.1Very high46 Ų4615.7 Ų15.747%0.4749%0.092SC..THydrogen-bonded Turntrans77.5-3179.200000116G22 K124G20-G22 PolarHBondContact O-N 2.87Å; G20-G22 VanDerWaalsContact O-N 3.14Å; G20-K124 WeakPolarHBondContact O-CE 3.5Å; G20-K124 PolarHBondContact O-NZ 2.77Å
21S96Very high96.3Very high0 Ų015.8 Ų15.80%010%0.095CC..SBendtrans-68.6-10177.269.80000114.6A18 S19 K23 V89 N123A18-S21 PolarHBondContact O-N 3.11Å; A18-S21 PolarHBondContact O-OG 3.33Å; S19-S21 PolarHBondContact O-N 3.31Å; S21-K23 WeakPolarHBondContact OG-CG 3.15Å; S21-V89 PolarHBondContact OG-O 2.98Å; S21-N123 PolarHBondContact O-ND2 3.09Å
22G96.3Very high96.2Very high13 Ų1320.1 Ų20.113%0.13412%0.115CC..  trans91.820.6175.100000115.3G20 T24 C25 I26G20-G22 PolarHBondContact O-N 2.87Å; G20-G22 VanDerWaalsContact O-N 3.14Å; G22-T24 PolarHBondContact O-N 3.13Å; G22-C25 WeakPolarHBondContact O-CA 3.26Å; G22-C25 WeakPolarHBondContact O-CB 3.24Å; G22-C25 PolarHBondContact O-N 3.3Å; G22-I26 WeakPolarHBondContact O-CG1 3.14Å; G22-I26 PolarHBondContact O-N 3.18Å
23K96.1Very high96.2Very high9 Ų920.4 Ų20.44%0.03913%0.129CC..Hα-helixtrans-50.6-52177.8-57.4-174.4-65.3-68.90114I15 I16 G17 A18 S21 C25 I26 L27 D65 T66 V89I15-K23 HydrophobicContact CB-CB 4.37Å; I15-K23 HydrophobicContact CG2-CB 3.54Å; I15-K23 HydrophobicContact CG2-CD 4.13Å; I15-K23 HydrophobicContact CG2-CG 3.72Å; I16-K23 VanDerWaalsContact C-CD 3.5Å; G17-K23 WeakPolarHBondContact O-CE 3.34Å; G17-K23 PolarHBondContact O-NZ 3.04Å; A18-K23 PolarHBondContact O-NZ 3.03Å; S21-K23 WeakPolarHBondContact OG-CG 3.15Å; K23-C25 VanDerWaalsContact C-N 3.28Å; K23-C25 PolarHBondContact O-N 2.71Å; K23-I26 WeakPolarHBondContact O-CB 3.39Å; K23-I26 PolarHBondContact O-N 3.35Å; K23-I26 VanDerWaalsContact O-N 3.16Å; K23-L27 PolarHBondContact O-N 3.4Å; K23-D65 WeakPolarHBondContact CB-OD1 3.45Å; K23-T66 WeakPolarHBondContact CE-O 3.47Å; K23-V89 HydrophobicContact CG-CB 4.17Å; K23-V89 HydrophobicContact CG-CG2 4.35Å
24T95.6Very high96Very high13 Ų1326.2 Ų26.28%0.0815%0.154CC..Hα-helixtrans-62.9-35.3177.2-42.70000112.1G22 L27 R28 M39 T42 D65G22-T24 PolarHBondContact O-N 3.13Å; T24-L27 WeakPolarHBondContact O-CB 3.25Å; T24-L27 PolarHBondContact O-N 3.49Å; T24-R28 WeakPolarHBondContact O-CG 3.47Å; T24-R28 PolarHBondContact O-N 3.17Å; T24-M39 HydrophobicContact CG2-CE 3.75Å; T24-T42 PolarHBondContact OG1-OG1 3.32Å; T24-T42 VanDerWaalsContact OG1-OG1 3.05Å; T24-D65 WeakPolarHBondContact CA-OD2 3.31Å; T24-D65 VanDerWaalsContact CB-OD2 3.29Å; T24-D65 WeakPolarHBondContact CB-OD2 3.39Å; T24-D65 PolarHBondContact OG1-OD2 3.37Å
25C96.6Very high95.8Very high20 Ų2029.6 Ų29.614%0.13517%0.169CC..Hα-helixtrans-67.2-39.2175.9-580000111.5G22 K23 R29 F35 A155G22-C25 WeakPolarHBondContact O-CA 3.26Å; G22-C25 WeakPolarHBondContact O-CB 3.24Å; G22-C25 PolarHBondContact O-N 3.3Å; K23-C25 VanDerWaalsContact C-N 3.28Å; K23-C25 PolarHBondContact O-N 2.71Å; C25-R29 WeakPolarHBondContact O-CB 3.3Å; C25-R29 PolarHBondContact O-N 3.16Å; C25-F35 HydrophobicContact CB-CD2 4.12Å; C25-F35 HydrophobicContact CB-CE2 4.08Å; C25-A155 HydrophobicContact CB-CB 3.7Å
26I98.1Very high95.4Very high1 Ų132.6 Ų32.61%0.00518%0.184CC..Hα-helixtrans-62.7-47.4173-68169.9000110.1I15 G22 K23 R28 R29 Y30 L87 V89 V121 N123 A155 I161 F165I15-I26 HydrophobicContact CD1-CG2 4.31Å; G22-I26 WeakPolarHBondContact O-CG1 3.14Å; G22-I26 PolarHBondContact O-N 3.18Å; K23-I26 WeakPolarHBondContact O-CB 3.39Å; K23-I26 PolarHBondContact O-N 3.35Å; K23-I26 VanDerWaalsContact O-N 3.16Å; I26-R28 PolarHBondContact O-N 3.09Å; I26-R29 PolarHBondContact O-N 2.96Å; I26-Y30 WeakPolarHBondContact O-CB 3.31Å; I26-Y30 PolarHBondContact O-N 3.11Å; I26-L87 HydrophobicContact CG2-CD1 4.07Å; I26-V89 HydrophobicContact CD1-CB 4.5Å; I26-V89 HydrophobicContact CD1-CG1 3.67Å; I26-V89 HydrophobicContact CD1-CG2 3.94Å; I26-V121 HydrophobicContact CD1-CG1 4.15Å; I26-N123 HydrophobicContact CD1-CB 4.15Å; I26-A155 HydrophobicContact CG1-CB 4.26Å; I26-I161 HydrophobicContact CB-CD1 4.36Å; I26-I161 HydrophobicContact CG1-CD1 3.89Å; I26-I161 HydrophobicContact CG2-CD1 4.15Å; I26-F165 HydrophobicContact CG2-CE2 4.03Å; I26-F165 HydrophobicContact CG2-CZ 4.29Å
27L97.3Very high94.9Very high1 Ų136.4 Ų36.41%0.00521%0.21CC..Hα-helixtrans-52.9-57.4177.4177.962.8000110.6I15 K23 T24 R29 Y30 T31 E46 I63 D65I15-L27 HydrophobicContact CD1-CB 3.91Å; I15-L27 HydrophobicContact CD1-CD1 4.42Å; K23-L27 PolarHBondContact O-N 3.4Å; T24-L27 WeakPolarHBondContact O-CB 3.25Å; T24-L27 PolarHBondContact O-N 3.49Å; L27-R29 PolarHBondContact O-N 2.7Å; L27-Y30 PolarHBondContact O-N 3.1Å; L27-Y30 VanDerWaalsContact O-N 3.16Å; L27-T31 HydrophobicContact CD1-CG2 3.97Å; L27-T31 PolarHBondContact O-N 3.04Å; L27-T31 PolarHBondContact O-OG1 3.26Å; L27-E46 HydrophobicContact CD2-CB 4.03Å; L27-E46 HydrophobicContact CD2-CG 3.8Å; L27-I63 HydrophobicContact CD1-CB 3.73Å; L27-I63 HydrophobicContact CD1-CD1 4.11Å; L27-I63 HydrophobicContact CD1-CG2 3.66Å; L27-D65 HydrophobicContact CB-CB 4.37Å; L27-D65 HydrophobicContact CD2-CB 3.65Å
28R95.7Very high94.3Very high56 Ų5644.2 Ų44.221%0.21125%0.251CS..Hα-helixtrans-67.3-35-176.7-67.9-168.4179.9-167.62.6113T24 I26 Y30 E32 G33 K34 I36 M39 E46T24-R28 WeakPolarHBondContact O-CG 3.47Å; T24-R28 PolarHBondContact O-N 3.17Å; I26-R28 PolarHBondContact O-N 3.09Å; R28-Y30 VanDerWaalsContact C-N 3.3Å; R28-Y30 PolarHBondContact O-N 3.29Å; R28-E32 CarbonylContact O-C 3.43Å; R28-E32 WeakPolarHBondContact O-CA 3.42Å; R28-E32 VanDerWaalsContact O-CB 3.29Å; R28-E32 WeakPolarHBondContact O-CB 3.43Å; R28-E32 PolarHBondContact O-N 3.39Å; R28-G33 PolarHBondContact O-N 2.82Å; R28-K34 CarbonylContact C-O 3.45Å; R28-K34 PolarHBondContact O-N 3.5Å; R28-I36 VanDerWaalsContact NH1-CD1 3.31Å; R28-M39 VanDerWaalsContact CZ-CE 3.43Å; R28-E46 IonicContact CZ-OE1 2.83Å; R28-E46 IonicContact CZ-OE2 2.92Å; R28-E46 IonicContact NE-OE1 3.74Å; R28-E46 PolarHBondContact NE-OE1 3.48Å; R28-E46 IonicContact NE-OE2 3.2Å; R28-E46 IonicContact NH2-OE1 2.68Å; R28-E46 PolarHBondContact NH2-OE1 3.3Å; R28-E46 VanDerWaalsContact NH2-OE1 3.11Å; R28-E46 IonicContact NH2-OE2 2.6Å; R28-E46 PolarHBondContact NH2-OE2 2.89Å; R28-E46 VanDerWaalsContact NH2-OE2 3.09Å
29R97.4Very high93.6Very high52 Ų5246.3 Ų46.320%0.19626%0.261CS..Hα-helixtrans-61.9-43.4173.4179.157.470.2167.919.2110.5C25 I26 L27 G33 K34 A155 L156 I161C25-R29 WeakPolarHBondContact O-CB 3.3Å; C25-R29 PolarHBondContact O-N 3.16Å; I26-R29 PolarHBondContact O-N 2.96Å; L27-R29 PolarHBondContact O-N 2.7Å; R29-G33 PolarHBondContact NH1-O 3.47Å; R29-G33 WeakPolarHBondContact O-CA 3.46Å; R29-G33 PolarHBondContact O-N 3.07Å; R29-G33 VanDerWaalsContact O-N 3.07Å; R29-K34 VanDerWaalsContact CA-O 3.29Å; R29-K34 WeakPolarHBondContact CA-O 3.26Å; R29-K34 PolarHBondContact N-O 3.47Å; R29-A155 PolarHBondContact NE-O 2.89Å; R29-A155 PolarHBondContact NH2-O 3.16Å; R29-L156 PolarHBondContact NH2-O 3.46Å; R29-I161 HydrophobicContact CB-CG2 4.29Å; R29-I161 HydrophobicContact CG-CB 4.21Å; R29-I161 HydrophobicContact CG-CG1 3.91Å; R29-I161 HydrophobicContact CG-CG2 3.96Å
30Y97.8Very high93.1Very high2 Ų249.6 Ų49.61%0.00828%0.281CS..Hα-helixtrans-71.6-43.1-178.9-175.7-110.9000113.4I26 L27 R28 K50 I52 I61 I63 I161 E162 F165I26-Y30 WeakPolarHBondContact O-CB 3.31Å; I26-Y30 PolarHBondContact O-N 3.11Å; L27-Y30 PolarHBondContact O-N 3.1Å; L27-Y30 VanDerWaalsContact O-N 3.16Å; R28-Y30 VanDerWaalsContact C-N 3.3Å; R28-Y30 PolarHBondContact O-N 3.29Å; Y30-K50 HydrophobicContact CD1-CD 4.04Å; Y30-K50 HydrophobicContact CE1-CB 3.92Å; Y30-K50 HydrophobicContact CE1-CD 3.59Å; Y30-K50 HydrophobicContact CE1-CG 4.4Å; Y30-K50 HydrophobicContact CE2-CD 4.13Å; Y30-K50 HydrophobicContact CG-CD 4.5Å; Y30-K50 WeakPolarHBondContact O-CD 3.24Å; Y30-K50 PolarHBondContact O-NZ 2.74Å; Y30-I52 WeakPolarHBondContact OH-CG2 3.12Å; Y30-I61 HydrophobicContact CE1-CD1 4.5Å; Y30-I61 WeakPolarHBondContact OH-CD1 3.5Å; Y30-I63 HydrophobicContact CD1-CD1 3.48Å; Y30-I63 VanDerWaalsContact CD1-CD1 3.48Å; Y30-I63 HydrophobicContact CE1-CD1 3.7Å; Y30-I161 HydrophobicContact CD2-CG2 4.16Å; Y30-I161 HydrophobicContact CG-CG2 4.45Å; Y30-E162 WeakPolarHBondContact CE2-OE2 3.48Å; Y30-F165 HydrophobicContact CD1-CD1 4.47Å; Y30-F165 AromaticContact CD1-CD2 3.84Å; Y30-F165 HydrophobicContact CD1-CD2 3.84Å; Y30-F165 HydrophobicContact CD1-CE1 4.47Å; Y30-F165 AromaticContact CD1-CE2 3.84Å; Y30-F165 HydrophobicContact CD1-CE2 3.84Å; Y30-F165 HydrophobicContact CD1-CG 4.17Å; Y30-F165 HydrophobicContact CD1-CZ 4.16Å; Y30-F165 HydrophobicContact CD2-CB 4.5Å; Y30-F165 AromaticContact CD2-CD2 3.41Å; Y30-F165 HydrophobicContact CD2-CD2 3.41Å; Y30-F165 VanDerWaalsContact CD2-CD2 3.41Å; Y30-F165 AromaticContact CD2-CE2 3.86Å; Y30-F165 HydrophobicContact CD2-CE2 3.86Å; Y30-F165 HydrophobicContact CD2-CG 4.15Å; Y30-F165 HydrophobicContact CE1-CB 4.22Å; Y30-F165 HydrophobicContact CE1-CD1 4.18Å; Y30-F165 AromaticContact CE1-CD2 3.96Å; Y30-F165 HydrophobicContact CE1-CD2 3.96Å; Y30-F165 HydrophobicContact CE1-CE2 4.36Å; Y30-F165 AromaticContact CE1-CG 3.85Å; Y30-F165 HydrophobicContact CE1-CG 3.85Å; Y30-F165 HydrophobicContact CE2-CB 3.73Å; Y30-F165 AromaticContact CE2-CD2 3.52Å; Y30-F165 HydrophobicContact CE2-CD2 3.52Å; Y30-F165 HydrophobicContact CE2-CE2 4.37Å; Y30-F165 AromaticContact CE2-CG 3.82Å; Y30-F165 HydrophobicContact CE2-CG 3.82Å; Y30-F165 AromaticContact CG-CD2 3.56Å; Y30-F165 HydrophobicContact CG-CD2 3.56Å; Y30-F165 AromaticContact CG-CE2 3.54Å; Y30-F165 HydrophobicContact CG-CE2 3.54Å; Y30-F165 HydrophobicContact CG-CG 4.3Å; Y30-F165 HydrophobicContact CG-CZ 4.28Å; Y30-F165 AromaticContact CZ-CD2 3.8Å; Y30-F165 AromaticContact CZ-CG 3.66Å
31T96.2Very high92.7Very high40 Ų4053.2 Ų53.225%0.24529%0.286CS..Hα-helixtrans-89.5-32.1-173.956.90000113.6L27 I63L27-T31 HydrophobicContact CD1-CG2 3.97Å; L27-T31 PolarHBondContact O-N 3.04Å; L27-T31 PolarHBondContact O-OG1 3.26Å; T31-I63 HydrophobicContact CG2-CD1 4.21Å
32E94.7Very high92Very high90 Ų9054.5 Ų54.542%0.42129%0.294SS..Hα-helixtrans-116.4-9.3-174.2-56176.3-153.400113.4R28 K34R28-E32 CarbonylContact O-C 3.43Å; R28-E32 WeakPolarHBondContact O-CA 3.42Å; R28-E32 VanDerWaalsContact O-CB 3.29Å; R28-E32 WeakPolarHBondContact O-CB 3.43Å; R28-E32 PolarHBondContact O-N 3.39Å; E32-K34 HydrophobicContact CB-CB 4.35Å; E32-K34 HydrophobicContact CB-CD 4.26Å; E32-K34 HydrophobicContact CB-CG 4.31Å; E32-K34 PolarHBondContact O-N 3.01Å
33G94.4Very high90.9Very high46 Ų4659.3 Ų59.347%0.47432%0.315SS..SBendtrans71.312.5-174.500000113.7R28 R29R28-G33 PolarHBondContact O-N 2.82Å; R29-G33 PolarHBondContact NH1-O 3.47Å; R29-G33 WeakPolarHBondContact O-CA 3.46Å; R29-G33 PolarHBondContact O-N 3.07Å; R29-G33 VanDerWaalsContact O-N 3.07Å
34K92.7Very high90.1Very high122 Ų12260 Ų6053%0.5333%0.325SS..  trans-113.4146.9-170.9-67.8173.7-172.1170.40112.6R28 R29 E32R28-K34 CarbonylContact C-O 3.45Å; R28-K34 PolarHBondContact O-N 3.5Å; R29-K34 VanDerWaalsContact CA-O 3.29Å; R29-K34 WeakPolarHBondContact CA-O 3.26Å; R29-K34 PolarHBondContact N-O 3.47Å; E32-K34 HydrophobicContact CB-CB 4.35Å; E32-K34 HydrophobicContact CB-CD 4.26Å; E32-K34 HydrophobicContact CB-CG 4.31Å; E32-K34 PolarHBondContact O-N 3.01Å
35F93Very high89.5Confident71 Ų7160.9 Ų60.931%0.31133%0.333SS..  trans-116.3127.1163.4176.6-95.5000108.9C25 P37 A155 L156C25-F35 HydrophobicContact CB-CD2 4.12Å; C25-F35 HydrophobicContact CB-CE2 4.08Å; F35-P37 HydrophobicContact CE1-CB 4.05Å; F35-A155 HydrophobicContact CD2-CB 4.09Å; F35-A155 WeakPolarHBondContact CD2-O 3.44Å; F35-A155 HydrophobicContact CE2-CB 4.34Å; F35-L156 HydrophobicContact CD1-CD1 3.6Å; F35-L156 HydrophobicContact CE1-CD1 3.63Å; F35-L156 HydrophobicContact CE2-CB 4.4Å; F35-L156 HydrophobicContact CG-CD1 4.19Å; F35-L156 HydrophobicContact CZ-CB 4.45Å; F35-L156 HydrophobicContact CZ-CD1 4.24Å
36I89.3Confident89.3Confident62 Ų6262.2 Ų62.232%0.31834%0.337SS..  trans-114.7115.3177.1-61.9165.2000106R28 M39R28-I36 VanDerWaalsContact NH1-CD1 3.31Å; I36-M39 HydrophobicContact CB-CG 4.32Å; I36-M39 HydrophobicContact CB-SD 3.72Å; I36-M39 HydrophobicContact CD1-SD 4.44Å; I36-M39 HydrophobicContact CG2-CG 4.39Å; I36-M39 HydrophobicContact CG2-SD 3.56Å; I36-M39 VanDerWaalsContact CG2-SD 3.56Å; I36-M39 VanDerWaalsContact O-CG 3.29Å; I36-M39 WeakPolarHBondContact O-CG 3.15Å
37P86.3Confident89.1Confident82 Ų8266.7 Ų66.753%0.53236%0.357SS..SBendtrans-69.5159.9176.929.1-33.7000110.8F35 M39F35-P37 HydrophobicContact CE1-CB 4.05Å; P37-M39 VanDerWaalsContact C-N 3.31Å; P37-M39 PolarHBondContact O-N 2.94Å
38N83.4Confident89Confident165 Ų16567.1 Ų67.188%0.88236%0.361SS*.SBendtrans56.240.2173.2-55-28.9000114.4
39M81.5Confident88.9Confident47 Ų4767 Ų6723%0.23237%0.369CS..PPolyproline II helixtrans-60.9136.7175.5-72.6-66.4-69.200111.2T24 R28 I36 P37T24-M39 HydrophobicContact CG2-CE 3.75Å; R28-M39 VanDerWaalsContact CZ-CE 3.43Å; I36-M39 HydrophobicContact CB-CG 4.32Å; I36-M39 HydrophobicContact CB-SD 3.72Å; I36-M39 HydrophobicContact CD1-SD 4.44Å; I36-M39 HydrophobicContact CG2-CG 4.39Å; I36-M39 HydrophobicContact CG2-SD 3.56Å; I36-M39 VanDerWaalsContact CG2-SD 3.56Å; I36-M39 VanDerWaalsContact O-CG 3.29Å; I36-M39 WeakPolarHBondContact O-CG 3.15Å; P37-M39 VanDerWaalsContact C-N 3.31Å; P37-M39 PolarHBondContact O-N 2.94Å
40P83.8Confident88.9Confident104 Ų10466.9 Ų66.968%0.67537%0.37SS*.PPolyproline II helixtrans-64.2155.8172.928.8-34.1000110.5T42P40-T42 PolarHBondContact O-N 3.26Å
41H85.3Confident88.7Confident121 Ų12169.4 Ų69.456%0.5638%0.383SS*.PPolyproline II helixtrans-63134.4175.4-62.3-68.1000111.6S19 I43S19-H41 PolarHBondContact OG-ND1 3.47Å; S19-H41 VanDerWaalsContact OG-ND1 3.15Å; H41-I43 PolarHBondContact O-N 3.01Å
42T80.3Confident88.7Confident28 Ų2868.4 Ų68.417%0.17238%0.376CS..PPolyproline II helixtrans-71.3118.7172.8-46.90000110T24 P40 A67T24-T42 PolarHBondContact OG1-OG1 3.32Å; T24-T42 VanDerWaalsContact OG1-OG1 3.05Å; P40-T42 PolarHBondContact O-N 3.26Å; T42-A67 WeakPolarHBondContact O-CA 3.38Å; T42-A67 WeakPolarHBondContact O-CB 3.38Å
43I74.1Confident88.6Confident113 Ų11369 Ų6958%0.57938%0.382SS*.SBendtrans-93.3-17178.7-64173.8000111.6H41 F72H41-I43 PolarHBondContact O-N 3.01Å; I43-F72 HydrophobicContact CB-CE2 4.29Å; I43-F72 HydrophobicContact CB-CZ 4.48Å; I43-F72 HydrophobicContact CG1-CE2 3.96Å; I43-F72 HydrophobicContact CG1-CZ 4.26Å; I43-F72 HydrophobicContact CG2-CD1 4.28Å; I43-F72 HydrophobicContact CG2-CD2 4.41Å; I43-F72 HydrophobicContact CG2-CE1 3.89Å; I43-F72 HydrophobicContact CG2-CE2 4.07Å; I43-F72 HydrophobicContact CG2-CZ 3.8Å
44G77.7Confident88.6Confident24 Ų2466.9 Ų66.925%0.24736%0.36CS..SBendtrans-132.5-126.3179.700000112.5A67G44-A67 WeakPolarHBondContact O-CB 3.47Å; G44-A67 PolarHBondContact O-N 2.81Å
45A84.5Confident88.5Confident31 Ų3165.7 Ų65.726%0.25636%0.359SS..EExtended strand (participates in β ladder)trans-129.6139169.800000111.7W64 D65 Y79A45-W64 HydrophobicContact CB-CE3 4.09Å; A45-D65 CarbonylContact C-O 3.39Å; A45-D65 WeakPolarHBondContact CA-O 3.3Å; A45-D65 VanDerWaalsContact CB-O 3.24Å; A45-D65 WeakPolarHBondContact CB-O 3.31Å; A45-Y79 HydrophobicContact CB-CD1 4.15Å; A45-Y79 HydrophobicContact CB-CD2 3.8Å; A45-Y79 HydrophobicContact CB-CE1 3.86Å; A45-Y79 HydrophobicContact CB-CE2 3.5Å; A45-Y79 VanDerWaalsContact CB-CE2 3.5Å; A45-Y79 HydrophobicContact CB-CG 4.12Å
46E91.7Very high88.4Confident48 Ų4865.4 Ų65.422%0.22438%0.377CS..EExtended strand (participates in β ladder)trans-99137.1170.3-172.6170.2144.200108.7L27 R28 D65L27-E46 HydrophobicContact CD2-CB 4.03Å; L27-E46 HydrophobicContact CD2-CG 3.8Å; R28-E46 IonicContact CZ-OE1 2.83Å; R28-E46 IonicContact CZ-OE2 2.92Å; R28-E46 IonicContact NE-OE1 3.74Å; R28-E46 PolarHBondContact NE-OE1 3.48Å; R28-E46 IonicContact NE-OE2 3.2Å; R28-E46 IonicContact NH2-OE1 2.68Å; R28-E46 PolarHBondContact NH2-OE1 3.3Å; R28-E46 VanDerWaalsContact NH2-OE1 3.11Å; R28-E46 IonicContact NH2-OE2 2.6Å; R28-E46 PolarHBondContact NH2-OE2 2.89Å; R28-E46 VanDerWaalsContact NH2-OE2 3.09Å; E46-D65 HydrophobicContact CB-CB 4.19Å; E46-D65 PolarHBondContact N-O 2.81Å; E46-D65 PolarHBondContact O-N 2.77Å
47F93Very high88.5Confident96 Ų9662.7 Ų62.742%0.42136%0.363SS..EExtended strand (participates in β ladder)trans-106.4131.4-179.4174.8-96.5000110.3Q62 I63 W64F47-Q62 HydrophobicContact CE2-CB 3.82Å; F47-Q62 HydrophobicContact CE2-CG 3.88Å; F47-Q62 HydrophobicContact CZ-CB 4.29Å; F47-Q62 HydrophobicContact CZ-CG 3.89Å; F47-I63 WeakPolarHBondContact CA-O 3.39Å; F47-W64 HydrophobicContact CB-CE3 4.36Å; F47-W64 HydrophobicContact CB-CZ3 4.19Å; F47-W64 HydrophobicContact CD2-CD2 4.1Å; F47-W64 AromaticContact CD2-CE2 3.78Å; F47-W64 HydrophobicContact CD2-CE3 4.35Å; F47-W64 HydrophobicContact CD2-CH2 4.11Å; F47-W64 AromaticContact CD2-CZ2 3.81Å; F47-W64 HydrophobicContact CD2-CZ2 3.81Å; F47-W64 HydrophobicContact CD2-CZ3 4.36Å; F47-W64 HydrophobicContact CE2-CZ2 4.24Å
48G95.1Very high88.9Confident9 Ų960.8 Ų60.89%0.09335%0.35CS..EExtended strand (participates in β ladder)trans-129.8159.7166.900000111.2I63G48-I63 PolarHBondContact N-O 2.99Å; G48-I63 PolarHBondContact O-N 3.16Å
49S95.5Very high89.4Confident53 Ų5353 Ų5337%0.37131%0.308SS..EExtended strand (participates in β ladder)trans-143.9148171.987.40000111.5I61S49-I61 CarbonylContact C-O 3.58Å; S49-I61 WeakPolarHBondContact CA-O 3.42Å; S49-I61 VanDerWaalsContact CB-O 3.32Å; S49-I61 WeakPolarHBondContact CB-O 3.31Å
50K95.4Very high90.1Very high50 Ų5053.4 Ų53.422%0.21731%0.309CS..EExtended strand (participates in β ladder)trans-143.7138.9175.8-164.3177.4-173.11750109.4Y30 I52 I61 E162Y30-K50 HydrophobicContact CD1-CD 4.04Å; Y30-K50 HydrophobicContact CE1-CB 3.92Å; Y30-K50 HydrophobicContact CE1-CD 3.59Å; Y30-K50 HydrophobicContact CE1-CG 4.4Å; Y30-K50 HydrophobicContact CE2-CD 4.13Å; Y30-K50 HydrophobicContact CG-CD 4.5Å; Y30-K50 WeakPolarHBondContact O-CD 3.24Å; Y30-K50 PolarHBondContact O-NZ 2.74Å; K50-I52 HydrophobicContact CD-CG2 4.03Å; K50-I52 HydrophobicContact CG-CG2 4.02Å; K50-I61 PolarHBondContact N-O 2.79Å; K50-I61 PolarHBondContact O-N 3.16Å; K50-E162 IonicContact NZ-OE1 3.82Å; K50-E162 PolarHBondContact NZ-OE1 2.92Å; K50-E162 IonicContact NZ-OE2 2.88Å; K50-E162 PolarHBondContact NZ-OE2 2.6Å
51I94.9Very high90.7Very high55 Ų5548.4 Ų48.428%0.28228%0.277SS..EExtended strand (participates in β ladder)trans-96.6125.9169.9-60.9179.3000107P4 T58 V59 K60P4-I51 WeakPolarHBondContact O-CD1 3.45Å; I51-T58 HydrophobicContact CG2-CG2 3.41Å; I51-T58 VanDerWaalsContact CG2-CG2 3.41Å; I51-V59 WeakPolarHBondContact CA-O 3.34Å; I51-K60 HydrophobicContact CG1-CB 4.1Å; I51-K60 HydrophobicContact CG1-CD 4.38Å; I51-K60 HydrophobicContact CG1-CG 4.02Å
52I95.3Very high91.2Very high20 Ų2045.1 Ų45.110%0.10326%0.262CS..EExtended strand (participates in β ladder)trans-125.8158.4176.968.1166.4000110.6Y30 K50 V54 T58 V59 I61 V169Y30-I52 WeakPolarHBondContact OH-CG2 3.12Å; K50-I52 HydrophobicContact CD-CG2 4.03Å; K50-I52 HydrophobicContact CG-CG2 4.02Å; I52-V54 HydrophobicContact CD1-CG2 3.55Å; I52-V54 HydrophobicContact CG1-CG2 4.06Å; I52-T58 WeakPolarHBondContact O-CA 3.37Å; I52-V59 PolarHBondContact N-O 3.38Å; I52-V59 PolarHBondContact O-N 2.84Å; I52-I61 HydrophobicContact CD1-CD1 3.62Å; I52-I61 HydrophobicContact CG1-CD1 3.85Å; I52-I61 HydrophobicContact CG1-CG1 4.43Å; I52-V169 HydrophobicContact CD1-CB 4.17Å; I52-V169 HydrophobicContact CD1-CG1 4.05Å; I52-V169 HydrophobicContact CD1-CG2 4Å
53N93.9Very high92Very high101 Ų10143.8 Ų43.854%0.5425%0.253SS..EExtended strand (participates in β ladder)trans-109.8124.2170.2-169.4-71.2000109.1G56 T57N53-G56 WeakPolarHBondContact OD1-CA 3.41Å; N53-G56 PolarHBondContact OD1-N 3.39Å; N53-T57 WeakPolarHBondContact CA-O 3.43Å
54V93Very high93Very high3 Ų341.4 Ų41.42%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-126.1116.6175.9-176.80000108.6I52 G56 T57 T166 V169 R170I52-V54 HydrophobicContact CD1-CG2 3.55Å; I52-V54 HydrophobicContact CG1-CG2 4.06Å; V54-G56 VanDerWaalsContact C-N 3.26Å; V54-G56 PolarHBondContact O-N 3.25Å; V54-T57 PolarHBondContact N-O 3.12Å; V54-T57 WeakPolarHBondContact O-CA 3.35Å; V54-T57 VanDerWaalsContact O-CB 3.31Å; V54-T57 WeakPolarHBondContact O-CB 3.4Å; V54-T57 PolarHBondContact O-N 3.41Å; V54-T57 PolarHBondContact O-OG1 2.64Å; V54-T166 HydrophobicContact CG2-CG2 4.13Å; V54-V169 HydrophobicContact CB-CG1 4.25Å; V54-V169 HydrophobicContact CG2-CB 4.29Å; V54-V169 HydrophobicContact CG2-CG1 3.71Å; V54-R170 HydrophobicContact CG1-CB 3.69Å; V54-R170 HydrophobicContact CG1-CG 3.99Å
55D91.4Very high93.8Very high96 Ų9640.3 Ų40.351%0.51323%0.225SC..THydrogen-bonded Turntrans49.248.7177.3-50.7-30.3000112.3T57 R170 R177D55-T57 VanDerWaalsContact C-N 3.27Å; D55-T57 PolarHBondContact O-N 2.9Å; D55-R170 IonicContact OD1-NE 2.89Å; D55-R170 WeakPolarHBondContact OD2-CD 3.47Å; D55-R170 WeakPolarHBondContact OD2-CG 3.21Å; D55-R170 IonicContact OD2-NE 3.11Å; D55-R170 PolarHBondContact OD2-NE 2.95Å; D55-R177 PolarHBondContact O-NH2 2.83Å; D55-R177 VanDerWaalsContact O-NH2 3.12Å
56G90.9Very high93.9Very high66 Ų6638.8 Ų38.868%0.6821%0.213SC*.THydrogen-bonded Turntrans77.63-179.500000114.9N53 V54N53-G56 WeakPolarHBondContact OD1-CA 3.41Å; N53-G56 PolarHBondContact OD1-N 3.39Å; V54-G56 VanDerWaalsContact C-N 3.26Å; V54-G56 PolarHBondContact O-N 3.25Å
57T91.8Very high93.7Very high5 Ų536.5 Ų36.53%0.03120%0.202CC..EExtended strand (participates in β ladder)trans-105.6116.9180-49.50000110.9K8 Y9 N53 V54 D55 V59 V173 R177K8-T57 HydrophobicContact CB-CG2 4.08Å; K8-T57 HydrophobicContact CD-CG2 4.08Å; Y9-T57 HydrophobicContact CD2-CG2 3.65Å; Y9-T57 HydrophobicContact CE2-CG2 3.67Å; N53-T57 WeakPolarHBondContact CA-O 3.43Å; V54-T57 PolarHBondContact N-O 3.12Å; V54-T57 WeakPolarHBondContact O-CA 3.35Å; V54-T57 VanDerWaalsContact O-CB 3.31Å; V54-T57 WeakPolarHBondContact O-CB 3.4Å; V54-T57 PolarHBondContact O-N 3.41Å; V54-T57 PolarHBondContact O-OG1 2.64Å; D55-T57 VanDerWaalsContact C-N 3.27Å; D55-T57 PolarHBondContact O-N 2.9Å; T57-V59 HydrophobicContact CG2-CG2 3.99Å; T57-V59 PolarHBondContact O-N 3.2Å; T57-V173 HydrophobicContact CG2-CG1 4.4Å; T57-V173 HydrophobicContact CG2-CG2 4.32Å; T57-R177 PolarHBondContact OG1-NH2 3.12Å
58T94.5Very high92.8Very high42 Ų4232.2 Ų32.226%0.25819%0.185SC..EExtended strand (participates in β ladder)trans-76.1122.3170.8-53.50000110K8 I51 I52K8-T58 PolarHBondContact N-O 3.29Å; I51-T58 HydrophobicContact CG2-CG2 3.41Å; I51-T58 VanDerWaalsContact CG2-CG2 3.41Å; I52-T58 WeakPolarHBondContact O-CA 3.37Å
59V94.4Very high92.2Very high0 Ų035 Ų350%020%0.196CC..EExtended strand (participates in β ladder)trans-125.1130.6-179.4179.80000108.7Y9 F11 I51 I52 T57 I61 V169 V173Y9-V59 HydrophobicContact CD2-CG2 4.28Å; Y9-V59 WeakPolarHBondContact O-CA 3.22Å; F11-V59 HydrophobicContact CB-CG1 4.39Å; F11-V59 HydrophobicContact CD2-CG1 3.49Å; F11-V59 VanDerWaalsContact CD2-CG1 3.49Å; F11-V59 HydrophobicContact CE2-CG1 3.81Å; F11-V59 HydrophobicContact CE2-CG2 4.39Å; F11-V59 HydrophobicContact CG-CG1 3.9Å; F11-V59 HydrophobicContact CZ-CG1 4.46Å; I51-V59 WeakPolarHBondContact CA-O 3.34Å; I52-V59 PolarHBondContact N-O 3.38Å; I52-V59 PolarHBondContact O-N 2.84Å; T57-V59 HydrophobicContact CG2-CG2 3.99Å; T57-V59 PolarHBondContact O-N 3.2Å; V59-I61 HydrophobicContact CG1-CG1 4.23Å; V59-V169 HydrophobicContact CB-CG1 4.1Å; V59-V169 HydrophobicContact CG1-CG1 4.12Å; V59-V169 HydrophobicContact CG2-CG1 3.97Å; V59-V173 HydrophobicContact CG2-CG2 3.95Å
60K95.2Very high91.3Very high56 Ų5639.5 Ų39.524%0.24321%0.211CC..EExtended strand (participates in β ladder)trans-91.2123.5166.7-176170-175.4173.40108.7Y7 Y9 L10 F11 I51Y7-K60 HydrophobicContact CD1-CB 3.62Å; Y7-K60 HydrophobicContact CD1-CD 3.81Å; Y7-K60 HydrophobicContact CD1-CG 4.35Å; Y7-K60 HydrophobicContact CD2-CB 3.83Å; Y7-K60 HydrophobicContact CE1-CB 4Å; Y7-K60 HydrophobicContact CE1-CD 3.46Å; Y7-K60 VanDerWaalsContact CE1-CD 3.46Å; Y7-K60 HydrophobicContact CE1-CG 4.38Å; Y7-K60 HydrophobicContact CE2-CB 4.18Å; Y7-K60 HydrophobicContact CG-CB 3.52Å; Y9-K60 PolarHBondContact O-N 2.69Å; L10-K60 CarbonylContact C-O 3.57Å; L10-K60 WeakPolarHBondContact CA-O 3.33Å; L10-K60 HydrophobicContact CD1-CB 3.83Å; L10-K60 HydrophobicContact CD1-CD 3.98Å; L10-K60 HydrophobicContact CD1-CG 3.76Å; F11-K60 PolarHBondContact N-O 3.19Å; I51-K60 HydrophobicContact CG1-CB 4.1Å; I51-K60 HydrophobicContact CG1-CD 4.38Å; I51-K60 HydrophobicContact CG1-CG 4.02Å
61I95.7Very high90.7Very high0 Ų046.2 Ų46.20%024%0.235CC..EExtended strand (participates in β ladder)trans-102.3128.3176-51.4172.6000107.7F11 F13 Y30 S49 K50 I52 V59 I63 V169F11-I61 CarbonylContact O-C 3.09Å; F11-I61 WeakPolarHBondContact O-CA 3.4Å; F13-I61 HydrophobicContact CB-CG2 4.2Å; F13-I61 HydrophobicContact CD2-CG2 3.52Å; F13-I61 HydrophobicContact CE2-CG2 4.05Å; F13-I61 HydrophobicContact CG-CG2 3.94Å; Y30-I61 HydrophobicContact CE1-CD1 4.5Å; Y30-I61 WeakPolarHBondContact OH-CD1 3.5Å; S49-I61 CarbonylContact C-O 3.58Å; S49-I61 WeakPolarHBondContact CA-O 3.42Å; S49-I61 VanDerWaalsContact CB-O 3.32Å; S49-I61 WeakPolarHBondContact CB-O 3.31Å; K50-I61 PolarHBondContact N-O 2.79Å; K50-I61 PolarHBondContact O-N 3.16Å; I52-I61 HydrophobicContact CD1-CD1 3.62Å; I52-I61 HydrophobicContact CG1-CD1 3.85Å; I52-I61 HydrophobicContact CG1-CG1 4.43Å; V59-I61 HydrophobicContact CG1-CG1 4.23Å; I61-I63 HydrophobicContact CG2-CD1 4.23Å; I61-I63 HydrophobicContact CG2-CG1 3.69Å; I61-V169 HydrophobicContact CD1-CG2 3.46Å; I61-V169 VanDerWaalsContact CD1-CG2 3.46Å; I61-V169 HydrophobicContact CG1-CG2 4.05Å
62Q96.1Very high90.2Very high52 Ų5245.6 Ų45.624%0.24323%0.23CC..EExtended strand (participates in β ladder)trans-106.8123.2170.2-75.8-176.1-23.600108.2L10 F11 K12 F13 F47L10-Q62 HydrophobicContact CD1-CG 3.78Å; F11-Q62 PolarHBondContact O-N 3.1Å; K12-Q62 CarbonylContact C-O 3.58Å; K12-Q62 WeakPolarHBondContact CA-O 3.09Å; F13-Q62 PolarHBondContact N-O 3.06Å; F47-Q62 HydrophobicContact CE2-CB 3.82Å; F47-Q62 HydrophobicContact CE2-CG 3.88Å; F47-Q62 HydrophobicContact CZ-CB 4.29Å; F47-Q62 HydrophobicContact CZ-CG 3.89Å
63I97.1Very high89.7Confident0 Ų045.7 Ų45.70%023%0.229CC..EExtended strand (participates in β ladder)trans-119125.8-172.5-50.9167.1000108.5F13 I15 L27 Y30 T31 F47 G48 I61 F165F13-I63 HydrophobicContact CB-CG1 4.25Å; F13-I63 WeakPolarHBondContact O-CA 3.47Å; I15-I63 HydrophobicContact CD1-CG2 3.65Å; I15-I63 HydrophobicContact CG1-CG2 3.62Å; L27-I63 HydrophobicContact CD1-CB 3.73Å; L27-I63 HydrophobicContact CD1-CD1 4.11Å; L27-I63 HydrophobicContact CD1-CG2 3.66Å; Y30-I63 HydrophobicContact CD1-CD1 3.48Å; Y30-I63 VanDerWaalsContact CD1-CD1 3.48Å; Y30-I63 HydrophobicContact CE1-CD1 3.7Å; T31-I63 HydrophobicContact CG2-CD1 4.21Å; F47-I63 WeakPolarHBondContact CA-O 3.39Å; G48-I63 PolarHBondContact N-O 2.99Å; G48-I63 PolarHBondContact O-N 3.16Å; I61-I63 HydrophobicContact CG2-CD1 4.23Å; I61-I63 HydrophobicContact CG2-CG1 3.69Å; I63-F165 HydrophobicContact CD1-CD1 4.2Å; I63-F165 HydrophobicContact CD1-CE1 3.62Å; I63-F165 HydrophobicContact CD1-CZ 3.94Å; I63-F165 HydrophobicContact CG1-CE1 4.08Å; I63-F165 HydrophobicContact CG2-CE1 4.28Å
64W96.1Very high89.2Confident63 Ų6345 Ų4524%0.23923%0.232CC..EExtended strand (participates in β ladder)trans-107103.4173.4-64.790.2000108.8K12 F13 L14 I15 A45 F47 Y79K12-W64 VanDerWaalsContact CE-CD1 3.49Å; F13-W64 PolarHBondContact O-N 2.85Å; L14-W64 HydrophobicContact CD2-CB 4.02Å; I15-W64 PolarHBondContact N-O 2.72Å; A45-W64 HydrophobicContact CB-CE3 4.09Å; F47-W64 HydrophobicContact CB-CE3 4.36Å; F47-W64 HydrophobicContact CB-CZ3 4.19Å; F47-W64 HydrophobicContact CD2-CD2 4.1Å; F47-W64 AromaticContact CD2-CE2 3.78Å; F47-W64 HydrophobicContact CD2-CE3 4.35Å; F47-W64 HydrophobicContact CD2-CH2 4.11Å; F47-W64 AromaticContact CD2-CZ2 3.81Å; F47-W64 HydrophobicContact CD2-CZ2 3.81Å; F47-W64 HydrophobicContact CD2-CZ3 4.36Å; F47-W64 HydrophobicContact CE2-CZ2 4.24Å; W64-Y79 AromaticContact CD2-CD1 3.8Å; W64-Y79 HydrophobicContact CD2-CD1 3.8Å; W64-Y79 HydrophobicContact CD2-CE1 4.39Å; W64-Y79 AromaticContact CE3-CD1 3.37Å; W64-Y79 HydrophobicContact CE3-CD1 3.37Å; W64-Y79 AromaticContact CE3-CE1 3.55Å; W64-Y79 HydrophobicContact CE3-CE1 3.55Å; W64-Y79 HydrophobicContact CE3-CG 4.32Å; W64-Y79 HydrophobicContact CG-CD1 4.42Å; W64-Y79 HydrophobicContact CH2-CD1 4.34Å; W64-Y79 HydrophobicContact CH2-CE1 4.17Å; W64-Y79 AromaticContact CZ3-CD1 3.69Å; W64-Y79 HydrophobicContact CZ3-CD1 3.69Å; W64-Y79 AromaticContact CZ3-CE1 3.42Å; W64-Y79 HydrophobicContact CZ3-CE1 3.42Å; W64-Y79 VanDerWaalsContact CZ3-CE1 3.42Å
65D93.4Very high88.8Confident0 Ų047.1 Ų47.10%025%0.245CC..EExtended strand (participates in β ladder)trans-74.9127.8166.5171.642000108.8K23 T24 L27 A45 E46K23-D65 WeakPolarHBondContact CB-OD1 3.45Å; T24-D65 WeakPolarHBondContact CA-OD2 3.31Å; T24-D65 VanDerWaalsContact CB-OD2 3.29Å; T24-D65 WeakPolarHBondContact CB-OD2 3.39Å; T24-D65 PolarHBondContact OG1-OD2 3.37Å; L27-D65 HydrophobicContact CB-CB 4.37Å; L27-D65 HydrophobicContact CD2-CB 3.65Å; A45-D65 CarbonylContact C-O 3.39Å; A45-D65 WeakPolarHBondContact CA-O 3.3Å; A45-D65 VanDerWaalsContact CB-O 3.24Å; A45-D65 WeakPolarHBondContact CB-O 3.31Å; E46-D65 HydrophobicContact CB-CB 4.19Å; E46-D65 PolarHBondContact N-O 2.81Å; E46-D65 PolarHBondContact O-N 2.77Å
66T88.4Confident88.4Confident0 Ų042.6 Ų42.60%022%0.221CC..EExtended strand (participates in β ladder)trans-109.4153.4-173.161.80000112.3I15 I16 K23 G68 A76I15-T66 PolarHBondContact O-N 2.95Å; I15-T66 PolarHBondContact O-OG1 3.29Å; I16-T66 HydrophobicContact CG2-CG2 4.32Å; K23-T66 WeakPolarHBondContact CE-O 3.47Å; T66-G68 PolarHBondContact O-N 2.86Å; T66-A76 HydrophobicContact CG2-CB 4.34Å
67A85.6Confident88.3Confident0 Ų044.4 Ų44.40%021%0.207CC..  trans-57.8128.8170.100000111T42 G44 F72 W104T42-A67 WeakPolarHBondContact O-CA 3.38Å; T42-A67 WeakPolarHBondContact O-CB 3.38Å; G44-A67 WeakPolarHBondContact O-CB 3.47Å; G44-A67 PolarHBondContact O-N 2.81Å; A67-F72 HydrophobicContact CB-CB 3.71Å; A67-W104 WeakPolarHBondContact O-CH2 2.96Å
68G75.1Confident88.2Confident5 Ų548.2 Ų48.25%0.05223%0.234CC..  trans-91.4-4.5178.700000114.9G17 S19 T66G17-G68 VanDerWaalsContact O-CA 3.28Å; G17-G68 WeakPolarHBondContact O-CA 3.25Å; S19-G68 PolarHBondContact N-O 2.83Å; T66-G68 PolarHBondContact O-N 2.86Å
69Q82.1Confident87.9Confident69 Ų6949 Ų4932%0.32223%0.233SC..SBendtrans-83134.7179.1-65.8-72.36.300110.1S19 R71 F72 R73S19-Q69 PolarHBondContact OG-NE2 2.9Å; Q69-R71 VanDerWaalsContact C-N 3.31Å; Q69-R71 HydrophobicContact CB-CG 4.26Å; Q69-R71 PolarHBondContact O-N 3.49Å; Q69-F72 HydrophobicContact CB-CD2 3.75Å; Q69-F72 HydrophobicContact CB-CE2 4.32Å; Q69-F72 HydrophobicContact CG-CD2 4.32Å; Q69-F72 PolarHBondContact O-N 3.33Å; Q69-R73 PolarHBondContact O-N 3.19Å
70E76.7Confident87.9Confident147 Ų14749 Ų4969%0.68723%0.233SC*.G310 helixtrans-56.5-42.3-178.4178.6-87.5166.300112.5F72 R73E70-F72 PolarHBondContact O-N 2.99Å; E70-R73 WeakPolarHBondContact O-CB 3.37Å; E70-R73 PolarHBondContact O-N 3.13Å
71R83.4Confident87.6Confident190 Ų19052.2 Ų52.272%0.71725%0.249SC*.G310 helixtrans-59.2-16.8174.971.4-178.9-63.9-168.12.1115.4Q69Q69-R71 VanDerWaalsContact C-N 3.31Å; Q69-R71 HydrophobicContact CB-CG 4.26Å; Q69-R71 PolarHBondContact O-N 3.49Å
72F84.5Confident87.3Confident43 Ų4355.3 Ų55.319%0.18927%0.265CS..G310 helixtrans-109.97.1176.8-57.3-49.9000112.6I43 A67 Q69 E70 S74 V75 A76I43-F72 HydrophobicContact CB-CE2 4.29Å; I43-F72 HydrophobicContact CB-CZ 4.48Å; I43-F72 HydrophobicContact CG1-CE2 3.96Å; I43-F72 HydrophobicContact CG1-CZ 4.26Å; I43-F72 HydrophobicContact CG2-CD1 4.28Å; I43-F72 HydrophobicContact CG2-CD2 4.41Å; I43-F72 HydrophobicContact CG2-CE1 3.89Å; I43-F72 HydrophobicContact CG2-CE2 4.07Å; I43-F72 HydrophobicContact CG2-CZ 3.8Å; A67-F72 HydrophobicContact CB-CB 3.71Å; Q69-F72 HydrophobicContact CB-CD2 3.75Å; Q69-F72 HydrophobicContact CB-CE2 4.32Å; Q69-F72 HydrophobicContact CG-CD2 4.32Å; Q69-F72 PolarHBondContact O-N 3.33Å; E70-F72 PolarHBondContact O-N 2.99Å; F72-S74 VanDerWaalsContact C-N 3.27Å; F72-S74 PolarHBondContact O-N 2.85Å; F72-V75 WeakPolarHBondContact O-CB 3.36Å; F72-V75 PolarHBondContact O-N 2.92Å; F72-A76 PolarHBondContact O-N 3.17Å
73R83.6Confident87.3Confident21 Ų2152.9 Ų52.98%0.07925%0.254CS..Hα-helixtrans-62.1-32.9-176.2-166.5176.1-171.3105.56.5113Q69 E70 V75 A76 R77 S103 W104 D107Q69-R73 PolarHBondContact O-N 3.19Å; E70-R73 WeakPolarHBondContact O-CB 3.37Å; E70-R73 PolarHBondContact O-N 3.13Å; R73-V75 VanDerWaalsContact C-N 3.3Å; R73-V75 PolarHBondContact O-N 2.92Å; R73-A76 WeakPolarHBondContact O-CB 3.46Å; R73-A76 PolarHBondContact O-N 3.44Å; R73-R77 WeakPolarHBondContact O-CB 3.49Å; R73-R77 VanDerWaalsContact O-CG 3.24Å; R73-R77 WeakPolarHBondContact O-CG 3.45Å; R73-R77 PolarHBondContact O-N 3.48Å; R73-S103 PolarHBondContact NH2-O 2.83Å; R73-S103 PolarHBondContact NH2-OG 3.32Å; R73-S103 VanDerWaalsContact NH2-OG 3.1Å; R73-W104 HydrophobicContact CG-CH2 4.45Å; R73-W104 VanDerWaalsContact NH2-CA 3.33Å; R73-D107 IonicContact CZ-OD2 3.86Å; R73-D107 IonicContact NE-OD2 3.24Å; R73-D107 PolarHBondContact NE-OD2 3.19Å; R73-D107 IonicContact NH2-OD2 3.92Å; R73-D107 PolarHBondContact NH2-OD2 3.5Å
74S84.8Confident87.2Confident87 Ų8753.1 Ų53.161%0.60826%0.255SS*.Hα-helixtrans-61.4-38.6173.556.10000112.5F72F72-S74 VanDerWaalsContact C-N 3.27Å; F72-S74 PolarHBondContact O-N 2.85Å
75V83.3Confident87.2Confident48 Ų4850.1 Ų50.129%0.29124%0.244SC..Hα-helixtrans-70.1-40.6174.7-179.90000110.5F72 R73 R77 S78 Y79F72-V75 WeakPolarHBondContact O-CB 3.36Å; F72-V75 PolarHBondContact O-N 2.92Å; R73-V75 VanDerWaalsContact C-N 3.3Å; R73-V75 PolarHBondContact O-N 2.92Å; V75-R77 VanDerWaalsContact C-N 3.33Å; V75-R77 PolarHBondContact O-N 2.71Å; V75-S78 PolarHBondContact O-N 2.87Å; V75-S78 PolarHBondContact O-OG 3.44Å; V75-Y79 HydrophobicContact CG1-CE2 4.23Å; V75-Y79 WeakPolarHBondContact O-CD2 3.4Å; V75-Y79 VanDerWaalsContact O-CE2 3.26Å; V75-Y79 WeakPolarHBondContact O-CE2 3.34Å
76A84.4Confident87.4Confident0 Ų050.1 Ų50.10%024%0.244CC..Hα-helixtrans-58.8-45.8174.600000111.6T66 F72 R73 S78 Y79 Y80T66-A76 HydrophobicContact CG2-CB 4.34Å; F72-A76 PolarHBondContact O-N 3.17Å; R73-A76 WeakPolarHBondContact O-CB 3.46Å; R73-A76 PolarHBondContact O-N 3.44Å; A76-S78 PolarHBondContact O-N 2.97Å; A76-Y79 PolarHBondContact O-N 2.95Å; A76-Y80 HydrophobicContact CB-CE2 4.46Å; A76-Y80 WeakPolarHBondContact O-CD2 3.26Å; A76-Y80 WeakPolarHBondContact O-CE2 3.24Å
77R88.1Confident87.9Confident104 Ų10450.1 Ų50.139%0.39224%0.244SC..Hα-helixtrans-59.4-28.5-178.3-75.1173.8177.5172.8-5.4114R73 V75 Y79 Y80 D107 L111R73-R77 WeakPolarHBondContact O-CB 3.49Å; R73-R77 VanDerWaalsContact O-CG 3.24Å; R73-R77 WeakPolarHBondContact O-CG 3.45Å; R73-R77 PolarHBondContact O-N 3.48Å; V75-R77 VanDerWaalsContact C-N 3.33Å; V75-R77 PolarHBondContact O-N 2.71Å; R77-Y79 PolarHBondContact O-N 3.49Å; R77-Y79 VanDerWaalsContact O-N 3.16Å; R77-Y80 PolarHBondContact O-N 3.36Å; R77-D107 IonicContact CZ-OD1 3.09Å; R77-D107 IonicContact CZ-OD2 3.42Å; R77-D107 VanDerWaalsContact NE-CG 3.32Å; R77-D107 IonicContact NE-OD1 3.44Å; R77-D107 PolarHBondContact NE-OD1 3.04Å; R77-D107 IonicContact NE-OD2 3.37Å; R77-D107 PolarHBondContact NE-OD2 3.04Å; R77-D107 VanDerWaalsContact NH2-CG 3.31Å; R77-D107 IonicContact NH2-OD1 3.85Å; R77-D107 PolarHBondContact NH2-OD1 3.29Å; R77-D107 IonicContact NH2-OD2 2.81Å; R77-D107 PolarHBondContact NH2-OD2 2.84Å; R77-L111 HydrophobicContact CB-CD1 3.77Å; R77-L111 HydrophobicContact CG-CD1 3.54Å
78S89.4Confident88.5Confident86 Ų8650.1 Ų50.160%0.60124%0.244SC*.THydrogen-bonded Turntrans-65.7-16.9177.465.80000113.6V75 A76V75-S78 PolarHBondContact O-N 2.87Å; V75-S78 PolarHBondContact O-OG 3.44Å; A76-S78 PolarHBondContact O-N 2.97Å
79Y89.4Confident89.6Confident59 Ų5949.9 Ų49.923%0.23124%0.241CC..THydrogen-bonded Turntrans-90-7.9178.8-62.7-83000113.6K12 A45 W64 V75 A76 R77 H81K12-Y79 WeakPolarHBondContact CE-O 3.06Å; K12-Y79 PolarHBondContact NZ-O 3.3Å; A45-Y79 HydrophobicContact CB-CD1 4.15Å; A45-Y79 HydrophobicContact CB-CD2 3.8Å; A45-Y79 HydrophobicContact CB-CE1 3.86Å; A45-Y79 HydrophobicContact CB-CE2 3.5Å; A45-Y79 VanDerWaalsContact CB-CE2 3.5Å; A45-Y79 HydrophobicContact CB-CG 4.12Å; W64-Y79 AromaticContact CD2-CD1 3.8Å; W64-Y79 HydrophobicContact CD2-CD1 3.8Å; W64-Y79 HydrophobicContact CD2-CE1 4.39Å; W64-Y79 AromaticContact CE3-CD1 3.37Å; W64-Y79 HydrophobicContact CE3-CD1 3.37Å; W64-Y79 AromaticContact CE3-CE1 3.55Å; W64-Y79 HydrophobicContact CE3-CE1 3.55Å; W64-Y79 HydrophobicContact CE3-CG 4.32Å; W64-Y79 HydrophobicContact CG-CD1 4.42Å; W64-Y79 HydrophobicContact CH2-CD1 4.34Å; W64-Y79 HydrophobicContact CH2-CE1 4.17Å; W64-Y79 AromaticContact CZ3-CD1 3.69Å; W64-Y79 HydrophobicContact CZ3-CD1 3.69Å; W64-Y79 AromaticContact CZ3-CE1 3.42Å; W64-Y79 HydrophobicContact CZ3-CE1 3.42Å; W64-Y79 VanDerWaalsContact CZ3-CE1 3.42Å; V75-Y79 HydrophobicContact CG1-CE2 4.23Å; V75-Y79 WeakPolarHBondContact O-CD2 3.4Å; V75-Y79 VanDerWaalsContact O-CE2 3.26Å; V75-Y79 WeakPolarHBondContact O-CE2 3.34Å; A76-Y79 PolarHBondContact O-N 2.95Å; R77-Y79 PolarHBondContact O-N 3.49Å; R77-Y79 VanDerWaalsContact O-N 3.16Å; Y79-H81 PolarHBondContact O-N 3.42Å
80Y92.7Very high90.4Very high0 Ų046.6 Ų46.60%023%0.226CC..  trans-72.9-33.2-168.1-80.6-133.3000113.6L14 I16 A76 R77 A83 D107 A108 L111 A112L14-Y80 HydrophobicContact CD1-CD1 3.98Å; L14-Y80 HydrophobicContact CD1-CD2 3.95Å; L14-Y80 HydrophobicContact CD1-CE1 4.38Å; L14-Y80 HydrophobicContact CD1-CE2 4.36Å; L14-Y80 HydrophobicContact CD1-CG 3.77Å; I16-Y80 HydrophobicContact CG2-CE2 4.04Å; I16-Y80 WeakPolarHBondContact CG2-OH 3.17Å; A76-Y80 HydrophobicContact CB-CE2 4.46Å; A76-Y80 WeakPolarHBondContact O-CD2 3.26Å; A76-Y80 WeakPolarHBondContact O-CE2 3.24Å; R77-Y80 PolarHBondContact O-N 3.36Å; Y80-A83 VanDerWaalsContact O-CB 3.24Å; Y80-A83 WeakPolarHBondContact O-CB 3.19Å; Y80-A83 PolarHBondContact O-N 3.47Å; Y80-A83 VanDerWaalsContact O-N 3.1Å; Y80-D107 HydrophobicContact CD1-CB 4.49Å; Y80-D107 HydrophobicContact CE1-CB 3.71Å; Y80-A108 HydrophobicContact CE1-CB 4.21Å; Y80-L111 HydrophobicContact CD1-CB 3.89Å; Y80-L111 HydrophobicContact CD1-CD1 4.16Å; Y80-L111 HydrophobicContact CG-CB 4.1Å; Y80-L111 HydrophobicContact CG-CD1 4.34Å; Y80-A112 WeakPolarHBondContact O-CA 3.02Å; Y80-A112 WeakPolarHBondContact O-CB 3.43Å
81H90.6Very high91.4Very high123 Ų12340 Ų4057%0.56920%0.195SC*.THydrogen-bonded Turntrans-52139.5-177.6-172-92.6000112K12 Y79 A83K12-H81 WeakPolarHBondContact CE-O 3.32Å; K12-H81 PolarHBondContact NZ-O 3.3Å; Y79-H81 PolarHBondContact O-N 3.42Å; H81-A83 PolarHBondContact O-N 3.41Å; H81-A83 VanDerWaalsContact O-N 3.09Å
82D89.6Confident92.1Very high65 Ų6530.9 Ų30.935%0.34816%0.161SC..THydrogen-bonded Turntrans61.52.8-176.9-50.9-48.1000116.7K12 V84K12-D82 HydrophobicContact CD-CB 4.47Å; D82-V84 PolarHBondContact O-N 3.16Å
83A94.7Very high92.8Very high0 Ų029.8 Ų29.80%016%0.158CC..  trans-66.3127.6174.400000110K12 L14 Y80 H81 A112 S113 I116K12-A83 HydrophobicContact CG-CB 4.39Å; L14-A83 HydrophobicContact CD1-CB 3.63Å; L14-A83 HydrophobicContact CD2-CB 4.3Å; L14-A83 HydrophobicContact CG-CB 3.59Å; Y80-A83 VanDerWaalsContact O-CB 3.24Å; Y80-A83 WeakPolarHBondContact O-CB 3.19Å; Y80-A83 PolarHBondContact O-N 3.47Å; Y80-A83 VanDerWaalsContact O-N 3.1Å; H81-A83 PolarHBondContact O-N 3.41Å; H81-A83 VanDerWaalsContact O-N 3.09Å; A83-A112 HydrophobicContact CB-CB 4.14Å; A83-S113 WeakPolarHBondContact O-CB 3.15Å; A83-S113 PolarHBondContact O-N 3.28Å; A83-S113 VanDerWaalsContact O-N 3.11Å; A83-I116 HydrophobicContact CB-CD1 4.26Å
84V95.1Very high93.5Very high5 Ų530.4 Ų30.43%0.0317%0.165CC..  trans-101.4-17.9178.8-62.60000112F11 K12 D82 M117 L172 L186F11-V84 HydrophobicContact CB-CG2 3.77Å; F11-V84 HydrophobicContact CD1-CG2 4.06Å; F11-V84 HydrophobicContact CG-CG2 4.03Å; K12-V84 WeakPolarHBondContact O-CG2 3.34Å; K12-V84 PolarHBondContact O-N 2.88Å; D82-V84 PolarHBondContact O-N 3.16Å; V84-M117 PolarHBondContact O-N 3.24Å; V84-L172 HydrophobicContact CB-CD1 4.44Å; V84-L172 HydrophobicContact CB-CD2 4.31Å; V84-L172 HydrophobicContact CG2-CD1 3.94Å; V84-L186 HydrophobicContact CG1-CD1 3.53Å; V84-L186 HydrophobicContact CG1-CD2 4.07Å; V84-L186 HydrophobicContact CG1-CG 4.28Å
85G96.4Very high94.1Very high0 Ų030.2 Ų30.20%015%0.151CC..EExtended strand (participates in β ladder)trans-133.7150.3175.600000111.8K12 F13 L14 M117K12-G85 PolarHBondContact O-N 2.83Å; F13-G85 CarbonylContact C-O 3.43Å; F13-G85 VanDerWaalsContact CA-O 3.23Å; F13-G85 WeakPolarHBondContact CA-O 3.04Å; L14-G85 PolarHBondContact N-O 3.47Å; G85-M117 CarbonylContact C-O 3.57Å; G85-M117 VanDerWaalsContact CA-O 3.22Å; G85-M117 WeakPolarHBondContact CA-O 3.33Å
86A97.4Very high94.8Very high0 Ų033.3 Ų33.30%017%0.166CC..EExtended strand (participates in β ladder)trans-141.7143.4165.900000111.9L14 I16 I116 M117 I118 V119L14-A86 HydrophobicContact CB-CB 4.09Å; L14-A86 CarbonylContact O-C 3.59Å; L14-A86 VanDerWaalsContact O-CA 3.31Å; L14-A86 WeakPolarHBondContact O-CA 3.45Å; I16-A86 HydrophobicContact CD1-CB 4.5Å; A86-I116 HydrophobicContact CB-CD1 3.89Å; A86-M117 PolarHBondContact N-O 3.23Å; A86-I118 HydrophobicContact CB-CG1 4.34Å; A86-I118 WeakPolarHBondContact O-CA 3.23Å; A86-V119 PolarHBondContact O-N 2.86Å
87L98.5Very high95.4Very high0 Ų033.5 Ų33.50%017%0.168CC..EExtended strand (participates in β ladder)trans-93.7120.7158.2-57.9-169.1000108.2L14 I15 I16 I26 V89 V119 V121 A164 F165L14-L87 PolarHBondContact O-N 3.38Å; I15-L87 HydrophobicContact CG2-CB 4.34Å; I16-L87 WeakPolarHBondContact CG1-O 3.42Å; I16-L87 PolarHBondContact N-O 2.85Å; I26-L87 HydrophobicContact CG2-CD1 4.07Å; L87-V89 HydrophobicContact CB-CG2 4.03Å; L87-V119 WeakPolarHBondContact CA-O 3.4Å; L87-V119 HydrophobicContact CD2-CB 3.78Å; L87-V119 HydrophobicContact CD2-CG1 4.33Å; L87-V119 HydrophobicContact CD2-CG2 4.25Å; L87-V121 HydrophobicContact CB-CG2 4.23Å; L87-V121 HydrophobicContact CD1-CG2 4.42Å; L87-V121 HydrophobicContact CD2-CG2 4.07Å; L87-V121 HydrophobicContact CG-CG2 4.47Å; L87-A164 HydrophobicContact CD1-CB 4.25Å; L87-A164 HydrophobicContact CD2-CB 4.16Å; L87-F165 HydrophobicContact CD1-CD1 4.41Å; L87-F165 HydrophobicContact CD1-CD2 4.24Å; L87-F165 HydrophobicContact CD1-CE1 3.79Å; L87-F165 HydrophobicContact CD1-CE2 3.59Å; L87-F165 HydrophobicContact CD1-CZ 3.34Å; L87-F165 HydrophobicContact CG-CE1 4.17Å; L87-F165 HydrophobicContact CG-CZ 4.19Å
88L98.3Very high96Very high0 Ų029.5 Ų29.50%015%0.153CC..EExtended strand (participates in β ladder)trans-98.9103.1174176.164.7000108I16 L101 W104 L105 I118 V119 L120 V121 F142 L148I16-L88 HydrophobicContact CD1-CD1 3.99Å; I16-L88 HydrophobicContact CG1-CB 4.49Å; I16-L88 HydrophobicContact CG1-CD1 4.01Å; L88-L101 HydrophobicContact CD1-CD2 3.77Å; L88-L101 HydrophobicContact CD2-CD2 3.91Å; L88-L101 HydrophobicContact CG-CD2 3.51Å; L88-W104 HydrophobicContact CD1-CB 3.51Å; L88-L105 HydrophobicContact CD2-CB 3.96Å; L88-L105 HydrophobicContact CD2-CD1 4.35Å; L88-I118 HydrophobicContact CB-CG2 3.82Å; L88-I118 HydrophobicContact CD2-CG2 4.49Å; L88-V119 PolarHBondContact N-O 3.16Å; L88-L120 HydrophobicContact CD2-CD1 4.2Å; L88-L120 HydrophobicContact CG-CD1 4.25Å; L88-L120 WeakPolarHBondContact O-CA 3.05Å; L88-V121 PolarHBondContact O-N 3.37Å; L88-F142 HydrophobicContact CD2-CE1 4.4Å; L88-L148 HydrophobicContact CD2-CD1 4.15Å
89V98.6Very high96.4Very high0 Ų030.1 Ų30.10%015%0.15CC..EExtended strand (participates in β ladder)trans-106.8124.1-164-171.60000111.6I15 I16 G17 S21 K23 I26 L87 V121 N123I15-V89 HydrophobicContact CG2-CG2 3.57Å; I16-V89 PolarHBondContact O-N 3.27Å; G17-V89 WeakPolarHBondContact CA-O 3.4Å; S21-V89 PolarHBondContact OG-O 2.98Å; K23-V89 HydrophobicContact CG-CB 4.17Å; K23-V89 HydrophobicContact CG-CG2 4.35Å; I26-V89 HydrophobicContact CD1-CB 4.5Å; I26-V89 HydrophobicContact CD1-CG1 3.67Å; I26-V89 HydrophobicContact CD1-CG2 3.94Å; L87-V89 HydrophobicContact CB-CG2 4.03Å; V89-V121 WeakPolarHBondContact CA-O 3.32Å; V89-V121 HydrophobicContact CG2-CB 4.25Å; V89-N123 HydrophobicContact CG1-CB 3.92Å
90Y98.7Very high96.7Very high0 Ų031.1 Ų31.10%016%0.156CC..EExtended strand (participates in β ladder)trans-114.7163.9162.974.7-79.6000110.4I92 F98 L101 L120 V121 N123 V134 A139 F150Y90-I92 HydrophobicContact CE2-CG1 3.82Å; Y90-F98 HydrophobicContact CD1-CD2 4.14Å; Y90-F98 HydrophobicContact CD2-CB 4.08Å; Y90-F98 AromaticContact CD2-CD2 3.81Å; Y90-F98 HydrophobicContact CD2-CD2 3.81Å; Y90-F98 HydrophobicContact CD2-CG 4.44Å; Y90-F98 HydrophobicContact CE1-CD2 4.25Å; Y90-F98 AromaticContact CE2-CD2 3.95Å; Y90-F98 HydrophobicContact CE2-CD2 3.95Å; Y90-F98 HydrophobicContact CG-CB 4.4Å; Y90-F98 AromaticContact CG-CD2 3.93Å; Y90-F98 HydrophobicContact CG-CD2 3.93Å; Y90-L101 HydrophobicContact CD1-CD1 3.95Å; Y90-L101 HydrophobicContact CD1-CD2 4.43Å; Y90-L101 HydrophobicContact CG-CD1 4.18Å; Y90-L120 HydrophobicContact CD1-CD1 3.84Å; Y90-L120 HydrophobicContact CD1-CG 4.36Å; Y90-L120 HydrophobicContact CE1-CD1 4.09Å; Y90-L120 HydrophobicContact CE1-CD2 4.34Å; Y90-L120 HydrophobicContact CE1-CG 4.11Å; Y90-V121 WeakPolarHBondContact CD1-O 3.49Å; Y90-V121 PolarHBondContact N-O 3.3Å; Y90-N123 PolarHBondContact O-N 2.93Å; Y90-V134 HydrophobicContact CD2-CG2 4.43Å; Y90-V134 HydrophobicContact CE2-CB 3.92Å; Y90-V134 HydrophobicContact CE2-CG1 3.77Å; Y90-V134 HydrophobicContact CE2-CG2 4.28Å; Y90-A139 HydrophobicContact CE1-CB 4.06Å; Y90-A139 WeakPolarHBondContact OH-CB 3.48Å; Y90-F150 HydrophobicContact CE1-CE2 4.24Å
91D98.3Very high97Very high8 Ų831.1 Ų31.14%0.04316%0.157CC..EExtended strand (participates in β ladder)trans-99.4124.5172.2168.617.3000109.4T93 S94 S97 K124D91-T93 PolarHBondContact O-N 2.77Å; D91-T93 PolarHBondContact OD1-N 3.19Å; D91-T93 PolarHBondContact OD1-OG1 3.31Å; D91-T93 PolarHBondContact OD2-OG1 2.91Å; D91-S94 CarbonylContact O-C 3.56Å; D91-S94 PolarHBondContact O-N 2.89Å; D91-S97 PolarHBondContact N-OG 3.02Å; D91-S97 PolarHBondContact O-OG 3.27Å; D91-K124 VanDerWaalsContact CG-NZ 3.32Å; D91-K124 WeakPolarHBondContact OD1-CD 3.41Å; D91-K124 IonicContact OD1-NZ 2.85Å; D91-K124 WeakPolarHBondContact OD2-CE 3.39Å; D91-K124 IonicContact OD2-NZ 2.99Å; D91-K124 PolarHBondContact OD2-NZ 3.2Å
92I98.6Very high97.4Very high0 Ų028 Ų280%015%0.152CC..THydrogen-bonded Turntrans-59-27.9-179.1-72169.8000112.2Y90 S94 N123 K125 Q128 H133 V134 E152Y90-I92 HydrophobicContact CE2-CG1 3.82Å; I92-S94 VanDerWaalsContact C-N 3.32Å; I92-N123 WeakPolarHBondContact CB-O 3.06Å; I92-N123 WeakPolarHBondContact CG1-O 3.36Å; I92-N123 PolarHBondContact N-O 2.86Å; I92-K125 HydrophobicContact CD1-CB 4.13Å; I92-K125 HydrophobicContact CD1-CG 4.48Å; I92-Q128 HydrophobicContact CG2-CB 4.47Å; I92-H133 PolarHBondContact O-N 3.35Å; I92-V134 PolarHBondContact O-N 3.13Å; I92-V134 VanDerWaalsContact O-N 3.1Å; I92-E152 HydrophobicContact CD1-CB 4.14Å; I92-E152 HydrophobicContact CD1-CG 3.9Å
93T98.1Very high97.7Very high20 Ų2027.7 Ų27.712%0.12316%0.155CC..THydrogen-bonded Turntrans-86.1-2.9177.783.10000113.5D91 L127 D131 H133D91-T93 PolarHBondContact O-N 2.77Å; D91-T93 PolarHBondContact OD1-N 3.19Å; D91-T93 PolarHBondContact OD1-OG1 3.31Å; D91-T93 PolarHBondContact OD2-OG1 2.91Å; T93-L127 HydrophobicContact CG2-CB 3.58Å; T93-L127 HydrophobicContact CG2-CD1 3.84Å; T93-L127 HydrophobicContact CG2-CG 4.36Å; T93-D131 WeakPolarHBondContact CA-O 3.31Å; T93-D131 WeakPolarHBondContact CB-O 3.42Å; T93-D131 WeakPolarHBondContact CB-OD2 3.38Å; T93-D131 HydrophobicContact CG2-CB 3.99Å; T93-D131 VanDerWaalsContact CG2-O 3.3Å; T93-D131 WeakPolarHBondContact CG2-O 3.22Å; T93-H133 PolarHBondContact O-ND1 2.82Å; T93-H133 VanDerWaalsContact O-ND1 3.15Å
94S98.2Very high97.7Very high34 Ų3427.8 Ų27.824%0.23816%0.155CC..  trans-123.5100.8-177.1178.70000111.8D91 I92 D96 S97 F98D91-S94 CarbonylContact O-C 3.56Å; D91-S94 PolarHBondContact O-N 2.89Å; I92-S94 VanDerWaalsContact C-N 3.32Å; S94-D96 PolarHBondContact O-N 3.22Å; S94-S97 PolarHBondContact O-N 2.88Å; S94-S97 PolarHBondContact O-OG 3.12Å; S94-S97 PolarHBondContact OG-N 2.69Å; S94-F98 PolarHBondContact O-N 2.93Å
95R97.9Very high97.8Very high82 Ų8227.7 Ų27.731%0.30916%0.155SC..Hα-helixtrans-56.9-37.3171.9179.656.863.21474.1112.4S97 F98 N99 H133 E138R95-S97 PolarHBondContact O-N 3.44Å; R95-F98 WeakPolarHBondContact O-CB 3.41Å; R95-F98 PolarHBondContact O-N 3.25Å; R95-N99 VanDerWaalsContact O-CG 3.26Å; R95-N99 PolarHBondContact O-N 3.33Å; R95-N99 PolarHBondContact O-ND2 3Å; R95-H133 PolarHBondContact NE-O 3.14Å; R95-H133 VanDerWaalsContact NE-O 3.17Å; R95-H133 PolarHBondContact NH2-O 2.99Å; R95-E138 IonicContact CZ-OE1 2.61Å; R95-E138 IonicContact CZ-OE2 2.69Å; R95-E138 IonicContact NH1-OE1 2.71Å; R95-E138 PolarHBondContact NH1-OE1 3.22Å; R95-E138 IonicContact NH1-OE2 3.35Å; R95-E138 IonicContact NH2-OE1 3.76Å; R95-E138 PolarHBondContact NH2-OE1 3.46Å; R95-E138 IonicContact NH2-OE2 3.1Å; R95-E138 PolarHBondContact NH2-OE2 2.84Å
96D98Very high97.8Very high113 Ų11330.8 Ų30.860%0.60418%0.176SC*.Hα-helixtrans-63.8-42.2178.4-66.3-25.8000111.8S94 F98 N99 E100S94-D96 PolarHBondContact O-N 3.22Å; D96-F98 PolarHBondContact O-N 2.91Å; D96-N99 PolarHBondContact O-N 3.05Å; D96-N99 VanDerWaalsContact O-N 3.13Å; D96-E100 PolarHBondContact O-N 3.44Å; D96-E100 VanDerWaalsContact O-N 3.14Å
97S98Very high97.7Very high4 Ų431.5 Ų31.53%0.02818%0.18CC..Hα-helixtrans-60.6-31.5176.480.60000112.9D91 S94 R95D91-S97 PolarHBondContact N-OG 3.02Å; D91-S97 PolarHBondContact O-OG 3.27Å; S94-S97 PolarHBondContact O-N 2.88Å; S94-S97 PolarHBondContact O-OG 3.12Å; S94-S97 PolarHBondContact OG-N 2.69Å; R95-S97 PolarHBondContact O-N 3.44Å
98F98.7Very high97.6Very high20 Ų2031.5 Ų31.59%0.08818%0.18CC..Hα-helixtrans-74.5-42.9175-177.3-95000111.9Y90 S94 R95 D96 E100 L101 V134 A139 F142Y90-F98 HydrophobicContact CD1-CD2 4.14Å; Y90-F98 HydrophobicContact CD2-CB 4.08Å; Y90-F98 AromaticContact CD2-CD2 3.81Å; Y90-F98 HydrophobicContact CD2-CD2 3.81Å; Y90-F98 HydrophobicContact CD2-CG 4.44Å; Y90-F98 HydrophobicContact CE1-CD2 4.25Å; Y90-F98 AromaticContact CE2-CD2 3.95Å; Y90-F98 HydrophobicContact CE2-CD2 3.95Å; Y90-F98 HydrophobicContact CG-CB 4.4Å; Y90-F98 AromaticContact CG-CD2 3.93Å; Y90-F98 HydrophobicContact CG-CD2 3.93Å; S94-F98 PolarHBondContact O-N 2.93Å; R95-F98 WeakPolarHBondContact O-CB 3.41Å; R95-F98 PolarHBondContact O-N 3.25Å; D96-F98 PolarHBondContact O-N 2.91Å; F98-E100 PolarHBondContact O-N 2.89Å; F98-L101 HydrophobicContact CB-CD1 4.39Å; F98-L101 HydrophobicContact CD2-CD1 3.3Å; F98-L101 HydrophobicContact CE2-CD1 3.59Å; F98-L101 HydrophobicContact CG-CD1 3.92Å; F98-L101 HydrophobicContact CZ-CD1 4.43Å; F98-L101 WeakPolarHBondContact O-CB 3.39Å; F98-L101 WeakPolarHBondContact O-CD1 3.46Å; F98-L101 WeakPolarHBondContact O-CG 3.21Å; F98-L101 PolarHBondContact O-N 2.82Å; F98-V134 HydrophobicContact CB-CG2 3.73Å; F98-V134 HydrophobicContact CD1-CG1 4.44Å; F98-V134 HydrophobicContact CD2-CG1 3.68Å; F98-V134 HydrophobicContact CD2-CG2 4.4Å; F98-V134 HydrophobicContact CE2-CG1 3.93Å; F98-V134 HydrophobicContact CG-CG1 3.96Å; F98-V134 HydrophobicContact CG-CG2 4.03Å; F98-V134 HydrophobicContact CZ-CG1 4.39Å; F98-A139 HydrophobicContact CE2-CB 3.9Å; F98-F142 HydrophobicContact CE2-CB 4.31Å; F98-F142 HydrophobicContact CZ-CB 3.79Å; F98-F142 HydrophobicContact CZ-CD2 4.47Å; F98-F142 HydrophobicContact CZ-CG 4.21Å
99N98.1Very high97.5Very high100 Ų10037.2 Ų37.254%0.53520%0.202SC..Hα-helixtrans-61.9-27.2178.7-68.4-19000112.7R95 D96 L101R95-N99 VanDerWaalsContact O-CG 3.26Å; R95-N99 PolarHBondContact O-N 3.33Å; R95-N99 PolarHBondContact O-ND2 3Å; D96-N99 PolarHBondContact O-N 3.05Å; D96-N99 VanDerWaalsContact O-N 3.13Å; N99-L101 VanDerWaalsContact C-N 3.33Å; N99-L101 PolarHBondContact O-N 3.04Å
100E97.1Very high97.3Very high79 Ų7942.1 Ų42.137%0.36923%0.232SC..THydrogen-bonded Turntrans-75.7-14.9175.9-72.1-174.7-148.500114.6A18 D96 F98 A102 S103 W104A18-E100 VanDerWaalsContact CB-OE2 3.32Å; A18-E100 WeakPolarHBondContact CB-OE2 3.35Å; D96-E100 PolarHBondContact O-N 3.44Å; D96-E100 VanDerWaalsContact O-N 3.14Å; F98-E100 PolarHBondContact O-N 2.89Å; E100-A102 VanDerWaalsContact C-N 3.29Å; E100-A102 PolarHBondContact O-N 3.13Å; E100-S103 WeakPolarHBondContact O-CB 3.43Å; E100-S103 PolarHBondContact O-N 2.99Å; E100-W104 VanDerWaalsContact O-CD1 3.26Å; E100-W104 PolarHBondContact O-N 3.19Å; E100-W104 PolarHBondContact OE2-NE1 2.84Å; E100-W104 VanDerWaalsContact OE2-NE1 3.17Å
101L98.3Very high97.1Very high1 Ų145.3 Ų45.31%0.00525%0.249CC..Hα-helixtrans-54.2-42.1-171.1-75.4170.4000113.2L88 Y90 F98 N99 S103 W104 L105 L120 F142L88-L101 HydrophobicContact CD1-CD2 3.77Å; L88-L101 HydrophobicContact CD2-CD2 3.91Å; L88-L101 HydrophobicContact CG-CD2 3.51Å; Y90-L101 HydrophobicContact CD1-CD1 3.95Å; Y90-L101 HydrophobicContact CD1-CD2 4.43Å; Y90-L101 HydrophobicContact CG-CD1 4.18Å; F98-L101 HydrophobicContact CB-CD1 4.39Å; F98-L101 HydrophobicContact CD2-CD1 3.3Å; F98-L101 HydrophobicContact CE2-CD1 3.59Å; F98-L101 HydrophobicContact CG-CD1 3.92Å; F98-L101 HydrophobicContact CZ-CD1 4.43Å; F98-L101 WeakPolarHBondContact O-CB 3.39Å; F98-L101 WeakPolarHBondContact O-CD1 3.46Å; F98-L101 WeakPolarHBondContact O-CG 3.21Å; F98-L101 PolarHBondContact O-N 2.82Å; N99-L101 VanDerWaalsContact C-N 3.33Å; N99-L101 PolarHBondContact O-N 3.04Å; L101-S103 VanDerWaalsContact C-N 3.25Å; L101-S103 PolarHBondContact O-N 2.73Å; L101-W104 PolarHBondContact O-N 3.1Å; L101-L105 VanDerWaalsContact O-CB 3.31Å; L101-L105 WeakPolarHBondContact O-CB 3.37Å; L101-L105 PolarHBondContact O-N 2.95Å; L101-L120 HydrophobicContact CD1-CD1 3.68Å; L101-L120 HydrophobicContact CD2-CD1 3.72Å; L101-L120 HydrophobicContact CG-CD1 4.36Å; L101-F142 HydrophobicContact CB-CE1 3.99Å; L101-F142 HydrophobicContact CB-CE2 4.16Å; L101-F142 HydrophobicContact CB-CZ 3.61Å; L101-F142 HydrophobicContact CD1-CD1 4.33Å; L101-F142 HydrophobicContact CD1-CE1 4.22Å; L101-F142 HydrophobicContact CD1-CZ 4.49Å
102A98Very high96.9Very high58 Ų5845.7 Ų45.748%0.47925%0.252SS..Hα-helixtrans-58.7-38.3-179.100000112.2E100 S106 F142E100-A102 VanDerWaalsContact C-N 3.29Å; E100-A102 PolarHBondContact O-N 3.13Å; A102-S106 WeakPolarHBondContact O-CB 3.48Å; A102-S106 PolarHBondContact O-N 2.9Å; A102-F142 HydrophobicContact CB-CE2 4.43Å
103S96.1Very high96.6Very high58 Ų5846 Ų4641%0.40626%0.255SS..Hα-helixtrans-67.9-46.9177.3-178.30000111.3R73 E100 L101 L105 S106 D107R73-S103 PolarHBondContact NH2-O 2.83Å; R73-S103 PolarHBondContact NH2-OG 3.32Å; R73-S103 VanDerWaalsContact NH2-OG 3.1Å; E100-S103 WeakPolarHBondContact O-CB 3.43Å; E100-S103 PolarHBondContact O-N 2.99Å; L101-S103 VanDerWaalsContact C-N 3.25Å; L101-S103 PolarHBondContact O-N 2.73Å; S103-L105 VanDerWaalsContact C-N 3.34Å; S103-L105 PolarHBondContact O-N 2.91Å; S103-S106 PolarHBondContact O-N 2.85Å; S103-D107 PolarHBondContact O-N 3.49Å
104W95.9Very high96.1Very high1 Ų151 Ų510%0.00429%0.287CS..Hα-helixtrans-62.5-40.3177.2-70.6105.5000112.5I16 G17 A67 R73 L88 E100 L101 D107 A108I16-W104 HydrophobicContact CB-CE3 4.05Å; I16-W104 HydrophobicContact CD1-CB 4.44Å; G17-W104 VanDerWaalsContact C-CE2 3.47Å; G17-W104 WeakPolarHBondContact O-CZ2 3.44Å; A67-W104 WeakPolarHBondContact O-CH2 2.96Å; R73-W104 HydrophobicContact CG-CH2 4.45Å; R73-W104 VanDerWaalsContact NH2-CA 3.33Å; L88-W104 HydrophobicContact CD1-CB 3.51Å; E100-W104 VanDerWaalsContact O-CD1 3.26Å; E100-W104 PolarHBondContact O-N 3.19Å; E100-W104 PolarHBondContact OE2-NE1 2.84Å; E100-W104 VanDerWaalsContact OE2-NE1 3.17Å; L101-W104 PolarHBondContact O-N 3.1Å; W104-D107 PolarHBondContact O-N 2.92Å; W104-A108 PolarHBondContact O-N 2.71Å; W104-A108 VanDerWaalsContact O-N 3.13Å
105L97.3Very high95.7Very high4 Ų453.4 Ų53.42%0.02130%0.298CS..Hα-helixtrans-63.1-44.3174.7178.459.7000112.1L88 L101 S103 D107 A108 R109 I118 F142 N146 L148L88-L105 HydrophobicContact CD2-CB 3.96Å; L88-L105 HydrophobicContact CD2-CD1 4.35Å; L101-L105 VanDerWaalsContact O-CB 3.31Å; L101-L105 WeakPolarHBondContact O-CB 3.37Å; L101-L105 PolarHBondContact O-N 2.95Å; S103-L105 VanDerWaalsContact C-N 3.34Å; S103-L105 PolarHBondContact O-N 2.91Å; L105-D107 VanDerWaalsContact C-N 3.33Å; L105-D107 PolarHBondContact O-N 3.2Å; L105-A108 PolarHBondContact O-N 3.5Å; L105-R109 HydrophobicContact CD1-CG 4.26Å; L105-R109 PolarHBondContact O-N 3.25Å; L105-I118 HydrophobicContact CD1-CD1 3.51Å; L105-I118 HydrophobicContact CD1-CG2 4.37Å; L105-F142 HydrophobicContact CD2-CE1 4.47Å; L105-F142 HydrophobicContact CD2-CZ 4.29Å; L105-N146 HydrophobicContact CD2-CB 3.76Å; L105-N146 VanDerWaalsContact CD2-OD1 3.3Å; L105-N146 WeakPolarHBondContact CD2-OD1 3.44Å; L105-L148 HydrophobicContact CD1-CD1 4.44Å; L105-L148 HydrophobicContact CD1-CD2 3.99Å; L105-L148 HydrophobicContact CD2-CD1 4.23Å
106S96.7Very high95.5Very high64 Ų6450.5 Ų50.545%0.44829%0.288SS..Hα-helixtrans-58.8-44.6178.2179.50000111.8A102 S103 A108 R109 T110A102-S106 WeakPolarHBondContact O-CB 3.48Å; A102-S106 PolarHBondContact O-N 2.9Å; S103-S106 PolarHBondContact O-N 2.85Å; S106-A108 PolarHBondContact O-N 2.86Å; S106-R109 PolarHBondContact O-N 3.43Å; S106-T110 WeakPolarHBondContact O-CB 3.13Å; S106-T110 PolarHBondContact O-N 2.92Å; S106-T110 PolarHBondContact O-OG1 3.2Å
107D94.9Very high95.3Very high16 Ų1645.9 Ų45.99%0.08626%0.263CS..Hα-helixtrans-62.7-42.1175.8-77.5-9.5000111.8R73 R77 Y80 S103 W104 L105 R109 T110 L111R73-D107 IonicContact CZ-OD2 3.86Å; R73-D107 IonicContact NE-OD2 3.24Å; R73-D107 PolarHBondContact NE-OD2 3.19Å; R73-D107 IonicContact NH2-OD2 3.92Å; R73-D107 PolarHBondContact NH2-OD2 3.5Å; R77-D107 IonicContact CZ-OD1 3.09Å; R77-D107 IonicContact CZ-OD2 3.42Å; R77-D107 VanDerWaalsContact NE-CG 3.32Å; R77-D107 IonicContact NE-OD1 3.44Å; R77-D107 PolarHBondContact NE-OD1 3.04Å; R77-D107 IonicContact NE-OD2 3.37Å; R77-D107 PolarHBondContact NE-OD2 3.04Å; R77-D107 VanDerWaalsContact NH2-CG 3.31Å; R77-D107 IonicContact NH2-OD1 3.85Å; R77-D107 PolarHBondContact NH2-OD1 3.29Å; R77-D107 IonicContact NH2-OD2 2.81Å; R77-D107 PolarHBondContact NH2-OD2 2.84Å; Y80-D107 HydrophobicContact CD1-CB 4.49Å; Y80-D107 HydrophobicContact CE1-CB 3.71Å; S103-D107 PolarHBondContact O-N 3.49Å; W104-D107 PolarHBondContact O-N 2.92Å; L105-D107 VanDerWaalsContact C-N 3.33Å; L105-D107 PolarHBondContact O-N 3.2Å; D107-R109 PolarHBondContact O-N 2.96Å; D107-T110 PolarHBondContact O-N 3Å; D107-L111 HydrophobicContact CB-CD1 4.41Å; D107-L111 WeakPolarHBondContact O-CB 3.44Å; D107-L111 WeakPolarHBondContact O-CG 3.24Å; D107-L111 PolarHBondContact O-N 3.34Å
108A95.5Very high95.3Very high0 Ų046.2 Ų46.20%026%0.264CS..Hα-helixtrans-61.4-47.5-179.400000111.2I16 Y80 W104 L105 S106 T110 A112 I118I16-A108 HydrophobicContact CD1-CB 3.76Å; Y80-A108 HydrophobicContact CE1-CB 4.21Å; W104-A108 PolarHBondContact O-N 2.71Å; W104-A108 VanDerWaalsContact O-N 3.13Å; L105-A108 PolarHBondContact O-N 3.5Å; S106-A108 PolarHBondContact O-N 2.86Å; A108-T110 VanDerWaalsContact C-N 3.28Å; A108-T110 PolarHBondContact O-N 3.42Å; A108-A112 WeakPolarHBondContact O-CB 3.46Å; A108-A112 PolarHBondContact O-N 2.9Å; A108-I118 HydrophobicContact CB-CD1 3.89Å
109R96Very high95.3Very high120 Ų12045.2 Ų45.245%0.45326%0.26SS..Hα-helixtrans-66.2-28.8178-73.7-179162.9164.1-2.7113.6L105 S106 D107 I118 N146L105-R109 HydrophobicContact CD1-CG 4.26Å; L105-R109 PolarHBondContact O-N 3.25Å; S106-R109 PolarHBondContact O-N 3.43Å; D107-R109 PolarHBondContact O-N 2.96Å; R109-I118 HydrophobicContact CG-CD1 4.3Å; R109-N146 PolarHBondContact NH2-O 3.42Å
110T95.5Very high95.3Very high103 Ų10340.5 Ų40.563%0.63224%0.235SC*.Hα-helixtrans-84.3-36.2-177.6-570000112.5S106 D107 A108S106-T110 WeakPolarHBondContact O-CB 3.13Å; S106-T110 PolarHBondContact O-N 2.92Å; S106-T110 PolarHBondContact O-OG1 3.2Å; D107-T110 PolarHBondContact O-N 3Å; A108-T110 VanDerWaalsContact C-N 3.28Å; A108-T110 PolarHBondContact O-N 3.42Å
111L94.2Very high95.4Very high67 Ų6736.8 Ų36.835%0.35122%0.217SC..Hα-helixtrans-111.3-20.4-165.8-58.1173.3000114.5R77 Y80 D107R77-L111 HydrophobicContact CB-CD1 3.77Å; R77-L111 HydrophobicContact CG-CD1 3.54Å; Y80-L111 HydrophobicContact CD1-CB 3.89Å; Y80-L111 HydrophobicContact CD1-CD1 4.16Å; Y80-L111 HydrophobicContact CG-CB 4.1Å; Y80-L111 HydrophobicContact CG-CD1 4.34Å; D107-L111 HydrophobicContact CB-CD1 4.41Å; D107-L111 WeakPolarHBondContact O-CB 3.44Å; D107-L111 WeakPolarHBondContact O-CG 3.24Å; D107-L111 PolarHBondContact O-N 3.34Å
112A94.2Very high95.4Very high15 Ų1536.7 Ų36.712%0.12422%0.217CC..SBendtrans-90.2-167.1179.400000112Y80 A83 A108 I116Y80-A112 WeakPolarHBondContact O-CA 3.02Å; Y80-A112 WeakPolarHBondContact O-CB 3.43Å; A83-A112 HydrophobicContact CB-CB 4.14Å; A108-A112 WeakPolarHBondContact O-CB 3.46Å; A108-A112 PolarHBondContact O-N 2.9Å; A112-I116 HydrophobicContact CB-CB 4.21Å; A112-I116 HydrophobicContact CB-CD1 3.38Å; A112-I116 HydrophobicContact CB-CG1 4.35Å; A112-I116 HydrophobicContact CB-CG2 4.38Å
113S91.3Very high95.4Very high8 Ų834.1 Ų34.16%0.05620%0.195CC..  trans-57.5139.4173.1-177.20000110.5A83 D115 I116A83-S113 WeakPolarHBondContact O-CB 3.15Å; A83-S113 PolarHBondContact O-N 3.28Å; A83-S113 VanDerWaalsContact O-N 3.11Å; S113-D115 PolarHBondContact O-N 3.45Å; S113-D115 VanDerWaalsContact O-N 3.11Å; S113-I116 VanDerWaalsContact O-CB 3.24Å; S113-I116 WeakPolarHBondContact O-CB 3.44Å; S113-I116 VanDerWaalsContact O-CG2 3.26Å; S113-I116 WeakPolarHBondContact O-CG2 3.28Å; S113-I116 PolarHBondContact O-N 2.95Å
114P89.3Confident95.5Very high123 Ų12334 Ų3480%0.79919%0.188SC*.THydrogen-bonded Turntrans-53.4-31.9174.2-27.135.2000113.5
115D88.6Confident95.6Very high85 Ų8537 Ų3746%0.45520%0.201SC..THydrogen-bonded Turntrans-97.220.9179.6-61.4-66.7000113.1S113 M117 L181S113-D115 PolarHBondContact O-N 3.45Å; S113-D115 VanDerWaalsContact O-N 3.11Å; D115-M117 PolarHBondContact O-N 2.88Å; D115-L181 HydrophobicContact CB-CD1 3.75Å
116I93.9Very high95.7Very high22 Ų2239.7 Ų39.711%0.11322%0.215CC..  trans-54.5128.3-178.4-175.8163.9000111A83 A86 A112 S113 I118A83-I116 HydrophobicContact CB-CD1 4.26Å; A86-I116 HydrophobicContact CB-CD1 3.89Å; A112-I116 HydrophobicContact CB-CB 4.21Å; A112-I116 HydrophobicContact CB-CD1 3.38Å; A112-I116 HydrophobicContact CB-CG1 4.35Å; A112-I116 HydrophobicContact CB-CG2 4.38Å; S113-I116 VanDerWaalsContact O-CB 3.24Å; S113-I116 WeakPolarHBondContact O-CB 3.44Å; S113-I116 VanDerWaalsContact O-CG2 3.26Å; S113-I116 WeakPolarHBondContact O-CG2 3.28Å; S113-I116 PolarHBondContact O-N 2.95Å; I116-I118 HydrophobicContact CD1-CG1 4.4Å; I116-I118 HydrophobicContact CG1-CG1 3.98Å; I116-I118 HydrophobicContact CG2-CD1 4.04Å; I116-I118 HydrophobicContact CG2-CG1 4.16Å
117M94.8Very high95.7Very high16 Ų1639.4 Ų39.48%0.07921%0.208CC..EExtended strand (participates in β ladder)trans-90.3122.6173.8-174163.1-74.900110.3V84 G85 A86 D115 C168 K171 L172 K175V84-M117 PolarHBondContact O-N 3.24Å; G85-M117 CarbonylContact C-O 3.57Å; G85-M117 VanDerWaalsContact CA-O 3.22Å; G85-M117 WeakPolarHBondContact CA-O 3.33Å; A86-M117 PolarHBondContact N-O 3.23Å; D115-M117 PolarHBondContact O-N 2.88Å; M117-C168 VanDerWaalsContact CG-SG 3.54Å; M117-C168 HydrophobicContact SD-CB 4.38Å; M117-K171 HydrophobicContact CE-CB 3.42Å; M117-K171 VanDerWaalsContact CE-CB 3.42Å; M117-K171 HydrophobicContact CE-CD 3.92Å; M117-K171 HydrophobicContact CE-CG 4.31Å; M117-K171 HydrophobicContact SD-CB 3.45Å; M117-K171 WeakPolarHBondContact SD-CB 3.44Å; M117-K171 HydrophobicContact SD-CD 3.77Å; M117-K171 HydrophobicContact SD-CG 4.22Å; M117-L172 HydrophobicContact CB-CD2 4.32Å; M117-K175 HydrophobicContact CE-CD 4.4Å
118I97.1Very high95.8Very high10 Ų1041.1 Ų41.15%0.05122%0.215CC..EExtended strand (participates in β ladder)trans-117.3132.4-174.8-54.9177.2000109.4A86 L88 L105 A108 R109 I116 L148 H149A86-I118 HydrophobicContact CB-CG1 4.34Å; A86-I118 WeakPolarHBondContact O-CA 3.23Å; L88-I118 HydrophobicContact CB-CG2 3.82Å; L88-I118 HydrophobicContact CD2-CG2 4.49Å; L105-I118 HydrophobicContact CD1-CD1 3.51Å; L105-I118 HydrophobicContact CD1-CG2 4.37Å; A108-I118 HydrophobicContact CB-CD1 3.89Å; R109-I118 HydrophobicContact CG-CD1 4.3Å; I116-I118 HydrophobicContact CD1-CG1 4.4Å; I116-I118 HydrophobicContact CG1-CG1 3.98Å; I116-I118 HydrophobicContact CG2-CD1 4.04Å; I116-I118 HydrophobicContact CG2-CG1 4.16Å; I118-L148 HydrophobicContact CB-CD2 3.85Å; I118-L148 HydrophobicContact CG2-CD2 3.98Å; I118-H149 PolarHBondContact O-N 3.2Å
119V98.1Very high95.8Very high0 Ų049.1 Ų49.10%026%0.258CS..EExtended strand (participates in β ladder)trans-113.5116.9174.1-175.70000108A86 L87 L88 V121 H149 L151 C168A86-V119 PolarHBondContact O-N 2.86Å; L87-V119 WeakPolarHBondContact CA-O 3.4Å; L87-V119 HydrophobicContact CD2-CB 3.78Å; L87-V119 HydrophobicContact CD2-CG1 4.33Å; L87-V119 HydrophobicContact CD2-CG2 4.25Å; L88-V119 PolarHBondContact N-O 3.16Å; V119-V121 HydrophobicContact CG1-CG2 3.99Å; V119-H149 CarbonylContact C-O 3.44Å; V119-H149 WeakPolarHBondContact CA-O 2.92Å; V119-H149 HydrophobicContact CG1-CB 4.33Å; V119-H149 HydrophobicContact CG2-CB 4.31Å; V119-L151 HydrophobicContact CG1-CD2 3.3Å; V119-L151 HydrophobicContact CG1-CG 4.41Å; V119-C168 HydrophobicContact CG2-CB 4.04Å
120L98.7Very high95.8Very high0 Ų048 Ų480%027%0.269CS..EExtended strand (participates in β ladder)trans-68.7127.3166.1-178.967.8000109.1L88 Y90 L101 A139 F142 A143 L148 H149 F150 L151L88-L120 HydrophobicContact CD2-CD1 4.2Å; L88-L120 HydrophobicContact CG-CD1 4.25Å; L88-L120 WeakPolarHBondContact O-CA 3.05Å; Y90-L120 HydrophobicContact CD1-CD1 3.84Å; Y90-L120 HydrophobicContact CD1-CG 4.36Å; Y90-L120 HydrophobicContact CE1-CD1 4.09Å; Y90-L120 HydrophobicContact CE1-CD2 4.34Å; Y90-L120 HydrophobicContact CE1-CG 4.11Å; L101-L120 HydrophobicContact CD1-CD1 3.68Å; L101-L120 HydrophobicContact CD2-CD1 3.72Å; L101-L120 HydrophobicContact CG-CD1 4.36Å; L120-A139 HydrophobicContact CD2-CB 4.35Å; L120-A139 VanDerWaalsContact CD2-O 3.3Å; L120-A139 WeakPolarHBondContact CD2-O 3.38Å; L120-F142 HydrophobicContact CD1-CD1 4.44Å; L120-F142 HydrophobicContact CD1-CE1 4.49Å; L120-F142 HydrophobicContact CD2-CD1 3.96Å; L120-A143 HydrophobicContact CB-CB 4.46Å; L120-A143 HydrophobicContact CD2-CB 3.86Å; L120-L148 HydrophobicContact CB-CB 4.41Å; L120-L148 HydrophobicContact CB-CD1 4.23Å; L120-H149 PolarHBondContact N-O 3.25Å; L120-F150 HydrophobicContact CB-CB 4.43Å; L120-F150 HydrophobicContact CB-CD2 4.13Å; L120-F150 HydrophobicContact CD2-CD2 3.71Å; L120-F150 HydrophobicContact CD2-CE2 4.24Å; L120-F150 HydrophobicContact CD2-CG 4.28Å; L120-F150 HydrophobicContact CG-CD2 3.84Å; L120-F150 HydrophobicContact CG-CE2 4.43Å; L120-F150 WeakPolarHBondContact O-CA 3.5Å; L120-L151 PolarHBondContact O-N 3.15Å; L120-L151 VanDerWaalsContact O-N 3.16Å
121V98.8Very high95.8Very high1 Ų146.6 Ų46.61%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-124.7112.3-178.1176.90000109.7I26 L87 L88 V89 Y90 V119 N123 L151 T153 A164I26-V121 HydrophobicContact CD1-CG1 4.15Å; L87-V121 HydrophobicContact CB-CG2 4.23Å; L87-V121 HydrophobicContact CD1-CG2 4.42Å; L87-V121 HydrophobicContact CD2-CG2 4.07Å; L87-V121 HydrophobicContact CG-CG2 4.47Å; L88-V121 PolarHBondContact O-N 3.37Å; V89-V121 WeakPolarHBondContact CA-O 3.32Å; V89-V121 HydrophobicContact CG2-CB 4.25Å; Y90-V121 WeakPolarHBondContact CD1-O 3.49Å; Y90-V121 PolarHBondContact N-O 3.3Å; V119-V121 HydrophobicContact CG1-CG2 3.99Å; V121-N123 PolarHBondContact O-N 2.94Å; V121-L151 WeakPolarHBondContact CA-O 3.49Å; V121-T153 HydrophobicContact CG1-CG2 3.65Å; V121-T153 WeakPolarHBondContact CG1-OG1 3.45Å; V121-A164 HydrophobicContact CG2-CB 4.43Å
122G98.7Very high95.9Very high0 Ų044.9 Ų44.90%026%0.256CS..EExtended strand (participates in β ladder)trans-83.7104.2166.400000109.8L151 E152 T153G122-L151 PolarHBondContact N-O 2.77Å; G122-L151 VanDerWaalsContact N-O 3.09Å; G122-E152 CarbonylContact O-C 3.57Å; G122-E152 WeakPolarHBondContact O-CA 3.35Å; G122-T153 PolarHBondContact O-N 2.93Å
123N98.7Very high96Very high4 Ų449.1 Ų49.12%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-90.5165.9-179.2-172.935.2000111.7S21 I26 V89 Y90 I92 V121 T153 A155S21-N123 PolarHBondContact O-ND2 3.09Å; I26-N123 HydrophobicContact CD1-CB 4.15Å; V89-N123 HydrophobicContact CG1-CB 3.92Å; Y90-N123 PolarHBondContact O-N 2.93Å; I92-N123 WeakPolarHBondContact CB-O 3.06Å; I92-N123 WeakPolarHBondContact CG1-O 3.36Å; I92-N123 PolarHBondContact N-O 2.86Å; V121-N123 PolarHBondContact O-N 2.94Å; N123-T153 CarbonylContact C-O 3.47Å; N123-T153 WeakPolarHBondContact CA-O 3.5Å; N123-A155 PolarHBondContact OD1-N 3.16Å
124K97.7Very high96.4Very high56 Ų5648.7 Ų48.724%0.24327%0.27CS..  trans66.535.7-176.6-43.8-167.9-160.41660113.3G20 D91 D126 L127 T153G20-K124 WeakPolarHBondContact O-CE 3.5Å; G20-K124 PolarHBondContact O-NZ 2.77Å; D91-K124 VanDerWaalsContact CG-NZ 3.32Å; D91-K124 WeakPolarHBondContact OD1-CD 3.41Å; D91-K124 IonicContact OD1-NZ 2.85Å; D91-K124 WeakPolarHBondContact OD2-CE 3.39Å; D91-K124 IonicContact OD2-NZ 2.99Å; D91-K124 PolarHBondContact OD2-NZ 3.2Å; K124-D126 WeakPolarHBondContact CA-OD1 3.15Å; K124-D126 PolarHBondContact O-N 3.02Å; K124-D126 VanDerWaalsContact O-N 3.09Å; K124-L127 HydrophobicContact CB-CD1 4.2Å; K124-L127 HydrophobicContact CD-CD1 4.3Å; K124-L127 WeakPolarHBondContact O-CB 3.38Å; K124-L127 PolarHBondContact O-N 3.34Å; K124-T153 PolarHBondContact N-O 2.96Å; K124-T153 VanDerWaalsContact N-O 3.12Å
125K98.3Very high96.7Very high64 Ų6446 Ų4628%0.27825%0.252SS..G310 helixtrans-54.6-28176.5-168.6-172.2-177.9-177.60113.5I92 L127 Q128 E152 T153 E159I92-K125 HydrophobicContact CD1-CB 4.13Å; I92-K125 HydrophobicContact CD1-CG 4.48Å; K125-L127 PolarHBondContact O-N 3.17Å; K125-Q128 VanDerWaalsContact O-CB 3.27Å; K125-Q128 WeakPolarHBondContact O-CB 3.36Å; K125-Q128 PolarHBondContact O-N 3.28Å; K125-E152 HydrophobicContact CB-CB 4.24Å; K125-E152 HydrophobicContact CD-CB 3.7Å; K125-E152 VanDerWaalsContact CE-OE2 3.31Å; K125-E152 WeakPolarHBondContact CE-OE2 3.37Å; K125-E152 HydrophobicContact CG-CB 4.01Å; K125-T153 WeakPolarHBondContact CB-O 3.18Å; K125-T153 PolarHBondContact N-O 3.37Å; K125-E159 WeakPolarHBondContact CD-OE1 3.14Å; K125-E159 IonicContact NZ-OE1 3.59Å; K125-E159 PolarHBondContact NZ-OE1 3.26Å
126D97.8Very high97.1Very high60 Ų6045.9 Ų45.932%0.32125%0.251SS..G310 helixtrans-58.2-15.6172.953.7-72.6000114.3K124 S154 L156 T157K124-D126 WeakPolarHBondContact CA-OD1 3.15Å; K124-D126 PolarHBondContact O-N 3.02Å; K124-D126 VanDerWaalsContact O-N 3.09Å; D126-S154 VanDerWaalsContact OD1-CB 3.25Å; D126-S154 WeakPolarHBondContact OD1-CB 3.05Å; D126-S154 PolarHBondContact OD1-OG 3.36Å; D126-L156 VanDerWaalsContact OD2-CD2 3.26Å; D126-L156 WeakPolarHBondContact OD2-CD2 3.31Å; D126-T157 HydrophobicContact CB-CG2 4.16Å
127L97.6Very high97.3Very high58 Ų5854.3 Ų54.330%0.30428%0.281SS..G310 helixtrans-106.14.9177.4-56178.9000113.4T93 K124 K125 D129 S130 D131 G132T93-L127 HydrophobicContact CG2-CB 3.58Å; T93-L127 HydrophobicContact CG2-CD1 3.84Å; T93-L127 HydrophobicContact CG2-CG 4.36Å; K124-L127 HydrophobicContact CB-CD1 4.2Å; K124-L127 HydrophobicContact CD-CD1 4.3Å; K124-L127 WeakPolarHBondContact O-CB 3.38Å; K124-L127 PolarHBondContact O-N 3.34Å; K125-L127 PolarHBondContact O-N 3.17Å; L127-D129 VanDerWaalsContact C-N 3.3Å; L127-D129 PolarHBondContact O-N 2.83Å; L127-S130 PolarHBondContact O-N 3.2Å; L127-S130 PolarHBondContact O-OG 3.14Å; L127-D131 CarbonylContact O-C 3.55Å; L127-D131 PolarHBondContact O-N 3.13Å; L127-G132 PolarHBondContact O-N 2.96Å
128Q96.9Very high97.4Very high51 Ų5155.9 Ų55.924%0.23829%0.289CS..Hα-helixtrans-57.3-41.1-174.8178.663.479.200112.9I92 K125 G132I92-Q128 HydrophobicContact CG2-CB 4.47Å; K125-Q128 VanDerWaalsContact O-CB 3.27Å; K125-Q128 WeakPolarHBondContact O-CB 3.36Å; K125-Q128 PolarHBondContact O-N 3.28Å; Q128-G132 WeakPolarHBondContact O-CA 3.49Å; Q128-G132 PolarHBondContact O-N 3.23Å
129D96.2Very high97.5Very high169 Ų16955.4 Ų55.490%0.90429%0.286SS*.Hα-helixtrans-80.4-26.2-177.1-66.7-26.9000113.1L127L127-D129 VanDerWaalsContact C-N 3.3Å; L127-D129 PolarHBondContact O-N 2.83Å
130S96.3Very high97.5Very high95 Ų9558 Ų5866%0.66430%0.304SS*.Hα-helixtrans-96.3-34.7-175.553.30000113.9L127L127-S130 PolarHBondContact O-N 3.2Å; L127-S130 PolarHBondContact O-OG 3.14Å
131D95.3Very high97.5Very high75 Ų7559.2 Ų59.240%0.40131%0.314SS..Hα-helixtrans-148.324.6-169.7-162.437.1000112.4T93 L127 H133T93-D131 WeakPolarHBondContact CA-O 3.31Å; T93-D131 WeakPolarHBondContact CB-O 3.42Å; T93-D131 WeakPolarHBondContact CB-OD2 3.38Å; T93-D131 HydrophobicContact CG2-CB 3.99Å; T93-D131 VanDerWaalsContact CG2-O 3.3Å; T93-D131 WeakPolarHBondContact CG2-O 3.22Å; L127-D131 CarbonylContact O-C 3.55Å; L127-D131 PolarHBondContact O-N 3.13Å; D131-H133 PolarHBondContact O-CD2 3.48Å; D131-H133 PolarHBondContact O-N 3.19Å; D131-H133 IonicContact OD1-NE2 2.72Å
132G95.2Very high97.5Very high31 Ų3160.8 Ų60.832%0.3232%0.321SS..  trans-71.3115.9-178.900000113L127 Q128L127-G132 PolarHBondContact O-N 2.96Å; Q128-G132 WeakPolarHBondContact O-CA 3.49Å; Q128-G132 PolarHBondContact O-N 3.23Å
133H97.6Very high97.5Very high103 Ų10360.9 Ų60.948%0.47732%0.322SS..  trans-107.6-8.7-179-73.9-169.1000113.7I92 T93 R95 D131I92-H133 PolarHBondContact O-N 3.35Å; T93-H133 PolarHBondContact O-ND1 2.82Å; T93-H133 VanDerWaalsContact O-ND1 3.15Å; R95-H133 PolarHBondContact NE-O 3.14Å; R95-H133 VanDerWaalsContact NE-O 3.17Å; R95-H133 PolarHBondContact NH2-O 2.99Å; D131-H133 PolarHBondContact O-CD2 3.48Å; D131-H133 PolarHBondContact O-N 3.19Å; D131-H133 IonicContact OD1-NE2 2.72Å
134V98Very high97.5Very high0 Ų068.3 Ų68.30%036%0.356CS..SBendtrans-125.7124.6173.9-178.20000107.6Y90 I92 F98 E138 A139Y90-V134 HydrophobicContact CD2-CG2 4.43Å; Y90-V134 HydrophobicContact CE2-CB 3.92Å; Y90-V134 HydrophobicContact CE2-CG1 3.77Å; Y90-V134 HydrophobicContact CE2-CG2 4.28Å; I92-V134 PolarHBondContact O-N 3.13Å; I92-V134 VanDerWaalsContact O-N 3.1Å; F98-V134 HydrophobicContact CB-CG2 3.73Å; F98-V134 HydrophobicContact CD1-CG1 4.44Å; F98-V134 HydrophobicContact CD2-CG1 3.68Å; F98-V134 HydrophobicContact CD2-CG2 4.4Å; F98-V134 HydrophobicContact CE2-CG1 3.93Å; F98-V134 HydrophobicContact CG-CG1 3.96Å; F98-V134 HydrophobicContact CG-CG2 4.03Å; F98-V134 HydrophobicContact CZ-CG1 4.39Å; V134-E138 HydrophobicContact CG1-CB 4.4Å; V134-A139 HydrophobicContact CG1-CB 4.38Å
135T96.6Very high97.5Very high67 Ų6771.9 Ų71.941%0.41138%0.378SS..  trans-80.9153.4178.8640000111.1W137 E138 A139T135-W137 PolarHBondContact O-N 3.25Å; T135-E138 PolarHBondContact N-OE2 2.75Å; T135-E138 PolarHBondContact O-N 3.44Å; T135-E138 VanDerWaalsContact OG1-CG 3.26Å; T135-E138 WeakPolarHBondContact OG1-CG 3.38Å; T135-E138 PolarHBondContact OG1-N 2.98Å; T135-E138 PolarHBondContact OG1-OE2 2.95Å; T135-A139 PolarHBondContact O-N 3.27Å
136N96.7Very high97.5Very high82 Ų8270.7 Ų70.744%0.43938%0.375SS..Hα-helixtrans-53.6-37.4172.5-174.1-90.8000112.3A139 S140 F150 E152N136-A139 PolarHBondContact O-N 3.45Å; N136-S140 WeakPolarHBondContact O-CB 3.3Å; N136-S140 PolarHBondContact O-N 3.16Å; N136-F150 WeakPolarHBondContact ND2-CE1 3.44Å; N136-E152 WeakPolarHBondContact CB-OE1 3.34Å; N136-E152 VanDerWaalsContact ND2-CD 3.34Å; N136-E152 PolarHBondContact ND2-OE1 3.41Å
137W97.6Very high97.4Very high198 Ų19874.7 Ų74.775%0.7540%0.396SS*.Hα-helixtrans-63.1-46.2179.1-179.783.8000112.2T135 A139 S140 A141T135-W137 PolarHBondContact O-N 3.25Å; W137-A139 PolarHBondContact O-N 3.09Å; W137-S140 PolarHBondContact O-N 2.76Å; W137-A141 WeakPolarHBondContact O-CB 3.4Å; W137-A141 PolarHBondContact O-N 3.2Å
138E98.3Very high97.4Very high50 Ų5072.7 Ų72.723%0.23439%0.386CS..Hα-helixtrans-63.1-43.4178.7-69.7167.5113.200111.9R95 V134 T135 A141 F142R95-E138 IonicContact CZ-OE1 2.61Å; R95-E138 IonicContact CZ-OE2 2.69Å; R95-E138 IonicContact NH1-OE1 2.71Å; R95-E138 PolarHBondContact NH1-OE1 3.22Å; R95-E138 IonicContact NH1-OE2 3.35Å; R95-E138 IonicContact NH2-OE1 3.76Å; R95-E138 PolarHBondContact NH2-OE1 3.46Å; R95-E138 IonicContact NH2-OE2 3.1Å; R95-E138 PolarHBondContact NH2-OE2 2.84Å; V134-E138 HydrophobicContact CG1-CB 4.4Å; T135-E138 PolarHBondContact N-OE2 2.75Å; T135-E138 PolarHBondContact O-N 3.44Å; T135-E138 VanDerWaalsContact OG1-CG 3.26Å; T135-E138 WeakPolarHBondContact OG1-CG 3.38Å; T135-E138 PolarHBondContact OG1-N 2.98Å; T135-E138 PolarHBondContact OG1-OE2 2.95Å; E138-A141 PolarHBondContact O-N 3.49Å; E138-F142 PolarHBondContact O-N 3.31Å
139A98.4Very high97.3Very high0 Ų073.1 Ų73.10%039%0.388CS..Hα-helixtrans-69.3-38178.600000112.7Y90 F98 L120 V134 T135 N136 W137 F142 A143 F150Y90-A139 HydrophobicContact CE1-CB 4.06Å; Y90-A139 WeakPolarHBondContact OH-CB 3.48Å; F98-A139 HydrophobicContact CE2-CB 3.9Å; L120-A139 HydrophobicContact CD2-CB 4.35Å; L120-A139 VanDerWaalsContact CD2-O 3.3Å; L120-A139 WeakPolarHBondContact CD2-O 3.38Å; V134-A139 HydrophobicContact CG1-CB 4.38Å; T135-A139 PolarHBondContact O-N 3.27Å; N136-A139 PolarHBondContact O-N 3.45Å; W137-A139 PolarHBondContact O-N 3.09Å; A139-F142 PolarHBondContact O-N 2.86Å; A139-A143 WeakPolarHBondContact O-CB 3.3Å; A139-A143 PolarHBondContact O-N 3.38Å; A139-F150 HydrophobicContact CB-CD2 4.49Å; A139-F150 HydrophobicContact CB-CE1 4.03Å; A139-F150 HydrophobicContact CB-CE2 3.73Å; A139-F150 HydrophobicContact CB-CZ 3.46Å; A139-F150 VanDerWaalsContact CB-CZ 3.46Å
140S98.3Very high97.4Very high53 Ų5367.2 Ų67.237%0.37135%0.354SS..Hα-helixtrans-64.5-42.4174.1-171.60000111.7N136 W137 A143 Q144N136-S140 WeakPolarHBondContact O-CB 3.3Å; N136-S140 PolarHBondContact O-N 3.16Å; W137-S140 PolarHBondContact O-N 2.76Å; S140-A143 PolarHBondContact O-N 3.17Å; S140-Q144 WeakPolarHBondContact O-CB 3.26Å; S140-Q144 PolarHBondContact O-N 3Å
141A98.6Very high97.5Very high26 Ų2663.6 Ų63.622%0.21533%0.327CS..Hα-helixtrans-60.8-48.1174.300000111.3W137 E138 A143 Q144 D145W137-A141 WeakPolarHBondContact O-CB 3.4Å; W137-A141 PolarHBondContact O-N 3.2Å; E138-A141 PolarHBondContact O-N 3.49Å; A141-A143 VanDerWaalsContact C-N 3.3Å; A141-A143 PolarHBondContact O-N 3.47Å; A141-Q144 PolarHBondContact O-N 3.17Å; A141-D145 WeakPolarHBondContact O-CB 3.47Å; A141-D145 PolarHBondContact O-N 3.36Å
142F98.7Very high97.7Very high34 Ų3460.8 Ų60.815%0.14931%0.312CS..Hα-helixtrans-57.7-42.9175.4179.2-84.4000112.2L88 F98 L101 A102 L105 L120 E138 A139 N146 L148L88-F142 HydrophobicContact CD2-CE1 4.4Å; F98-F142 HydrophobicContact CE2-CB 4.31Å; F98-F142 HydrophobicContact CZ-CB 3.79Å; F98-F142 HydrophobicContact CZ-CD2 4.47Å; F98-F142 HydrophobicContact CZ-CG 4.21Å; L101-F142 HydrophobicContact CB-CE1 3.99Å; L101-F142 HydrophobicContact CB-CE2 4.16Å; L101-F142 HydrophobicContact CB-CZ 3.61Å; L101-F142 HydrophobicContact CD1-CD1 4.33Å; L101-F142 HydrophobicContact CD1-CE1 4.22Å; L101-F142 HydrophobicContact CD1-CZ 4.49Å; A102-F142 HydrophobicContact CB-CE2 4.43Å; L105-F142 HydrophobicContact CD2-CE1 4.47Å; L105-F142 HydrophobicContact CD2-CZ 4.29Å; L120-F142 HydrophobicContact CD1-CD1 4.44Å; L120-F142 HydrophobicContact CD1-CE1 4.49Å; L120-F142 HydrophobicContact CD2-CD1 3.96Å; E138-F142 PolarHBondContact O-N 3.31Å; A139-F142 PolarHBondContact O-N 2.86Å; F142-N146 WeakPolarHBondContact O-CB 3.15Å; F142-N146 PolarHBondContact O-N 3.45Å; F142-N146 PolarHBondContact O-ND2 3.09Å; F142-L148 HydrophobicContact CD1-CD1 4.37Å; F142-L148 HydrophobicContact CE1-CD1 3.95Å
143A98.6Very high97.8Very high3 Ų359.4 Ų59.43%0.02530%0.297CS..Hα-helixtrans-64.3-43.2178.100000112.1L120 A139 S140 A141 N146 D147 L148 F150L120-A143 HydrophobicContact CB-CB 4.46Å; L120-A143 HydrophobicContact CD2-CB 3.86Å; A139-A143 WeakPolarHBondContact O-CB 3.3Å; A139-A143 PolarHBondContact O-N 3.38Å; S140-A143 PolarHBondContact O-N 3.17Å; A141-A143 VanDerWaalsContact C-N 3.3Å; A141-A143 PolarHBondContact O-N 3.47Å; A143-N146 CarbonylContact O-C 3.45Å; A143-N146 PolarHBondContact O-N 2.6Å; A143-D147 PolarHBondContact O-N 3.11Å; A143-L148 HydrophobicContact CB-CB 4.13Å; A143-L148 PolarHBondContact O-N 2.95Å; A143-F150 HydrophobicContact CB-CB 3.58Å; A143-F150 HydrophobicContact CB-CG 4.29Å
144Q98.2Very high97.9Very high159 Ų15954.5 Ų54.574%0.74327%0.274SS*.Hα-helixtrans-63.3-48.2177.6179.8170.253.900111.7S140 A141 N146 D147S140-Q144 WeakPolarHBondContact O-CB 3.26Å; S140-Q144 PolarHBondContact O-N 3Å; A141-Q144 PolarHBondContact O-N 3.17Å; Q144-N146 PolarHBondContact O-N 3.05Å; Q144-N146 VanDerWaalsContact O-N 3.13Å; Q144-D147 PolarHBondContact O-N 2.89Å; Q144-D147 VanDerWaalsContact O-N 3.16Å
145D98.3Very high97.9Very high131 Ų13154.6 Ų54.670%0.70128%0.275SS*.Hα-helixtrans-61.2-23.9179.2-72.3-15.1000112.6A141A141-D145 WeakPolarHBondContact O-CB 3.47Å; A141-D145 PolarHBondContact O-N 3.36Å
146N98Very high97.9Very high40 Ų4055.4 Ų55.421%0.21428%0.277CS..THydrogen-bonded Turntrans-109.910.6-179.1-71.1-82.7000113.9L105 R109 F142 A143 Q144 L148L105-N146 HydrophobicContact CD2-CB 3.76Å; L105-N146 VanDerWaalsContact CD2-OD1 3.3Å; L105-N146 WeakPolarHBondContact CD2-OD1 3.44Å; R109-N146 PolarHBondContact NH2-O 3.42Å; F142-N146 WeakPolarHBondContact O-CB 3.15Å; F142-N146 PolarHBondContact O-N 3.45Å; F142-N146 PolarHBondContact O-ND2 3.09Å; A143-N146 CarbonylContact O-C 3.45Å; A143-N146 PolarHBondContact O-N 2.6Å; Q144-N146 PolarHBondContact O-N 3.05Å; Q144-N146 VanDerWaalsContact O-N 3.13Å; N146-L148 VanDerWaalsContact C-N 3.35Å; N146-L148 HydrophobicContact CB-CD1 3.9Å; N146-L148 HydrophobicContact CB-CD2 4.38Å; N146-L148 HydrophobicContact CB-CG 3.77Å; N146-L148 WeakPolarHBondContact O-CD2 3.34Å; N146-L148 WeakPolarHBondContact O-CG 3.29Å; N146-L148 PolarHBondContact O-N 3.03Å
147D96.4Very high97.9Very high143 Ų14355.6 Ų55.677%0.76528%0.281SS*.THydrogen-bonded Turntrans50.550.4-178.4-168.535.3000113.4A143 Q144A143-D147 PolarHBondContact O-N 3.11Å; Q144-D147 PolarHBondContact O-N 2.89Å; Q144-D147 VanDerWaalsContact O-N 3.16Å
148L97.3Very high98Very high17 Ų1747.4 Ų47.49%0.08926%0.258CS..  trans-111.2148.1179.7-49.4180000110.6L88 L105 I118 L120 F142 A143 N146L88-L148 HydrophobicContact CD2-CD1 4.15Å; L105-L148 HydrophobicContact CD1-CD1 4.44Å; L105-L148 HydrophobicContact CD1-CD2 3.99Å; L105-L148 HydrophobicContact CD2-CD1 4.23Å; I118-L148 HydrophobicContact CB-CD2 3.85Å; I118-L148 HydrophobicContact CG2-CD2 3.98Å; L120-L148 HydrophobicContact CB-CB 4.41Å; L120-L148 HydrophobicContact CB-CD1 4.23Å; F142-L148 HydrophobicContact CD1-CD1 4.37Å; F142-L148 HydrophobicContact CE1-CD1 3.95Å; A143-L148 HydrophobicContact CB-CB 4.13Å; A143-L148 PolarHBondContact O-N 2.95Å; N146-L148 VanDerWaalsContact C-N 3.35Å; N146-L148 HydrophobicContact CB-CD1 3.9Å; N146-L148 HydrophobicContact CB-CD2 4.38Å; N146-L148 HydrophobicContact CB-CG 3.77Å; N146-L148 WeakPolarHBondContact O-CD2 3.34Å; N146-L148 WeakPolarHBondContact O-CG 3.29Å; N146-L148 PolarHBondContact O-N 3.03Å
149H95.7Very high98Very high60 Ų6048.5 Ų48.528%0.27826%0.263SS..EExtended strand (participates in β ladder)trans-74.1142160.6-66.5-41000109.7I118 V119 L120 K171I118-H149 PolarHBondContact O-N 3.2Å; V119-H149 CarbonylContact C-O 3.44Å; V119-H149 WeakPolarHBondContact CA-O 2.92Å; V119-H149 HydrophobicContact CG1-CB 4.33Å; V119-H149 HydrophobicContact CG2-CB 4.31Å; L120-H149 PolarHBondContact N-O 3.25Å; H149-K171 PolarHBondContact CE1-NZ 2.92Å; H149-K171 WeakPolarHBondContact NE2-CD 3.19Å; H149-K171 VanDerWaalsContact NE2-CE 3.25Å; H149-K171 WeakPolarHBondContact NE2-CE 3.44Å; H149-K171 PolarHBondContact NE2-NZ 2.83Å
150F98.1Very high98Very high44 Ų4451.4 Ų51.419%0.19328%0.279CS..EExtended strand (participates in β ladder)trans-128.3135.1-178.9171.5-127.9000111Y90 L120 N136 A139 A143 E152Y90-F150 HydrophobicContact CE1-CE2 4.24Å; L120-F150 HydrophobicContact CB-CB 4.43Å; L120-F150 HydrophobicContact CB-CD2 4.13Å; L120-F150 HydrophobicContact CD2-CD2 3.71Å; L120-F150 HydrophobicContact CD2-CE2 4.24Å; L120-F150 HydrophobicContact CD2-CG 4.28Å; L120-F150 HydrophobicContact CG-CD2 3.84Å; L120-F150 HydrophobicContact CG-CE2 4.43Å; L120-F150 WeakPolarHBondContact O-CA 3.5Å; N136-F150 WeakPolarHBondContact ND2-CE1 3.44Å; A139-F150 HydrophobicContact CB-CD2 4.49Å; A139-F150 HydrophobicContact CB-CE1 4.03Å; A139-F150 HydrophobicContact CB-CE2 3.73Å; A139-F150 HydrophobicContact CB-CZ 3.46Å; A139-F150 VanDerWaalsContact CB-CZ 3.46Å; A143-F150 HydrophobicContact CB-CB 3.58Å; A143-F150 HydrophobicContact CB-CG 4.29Å; F150-E152 HydrophobicContact CE2-CG 4.1Å; F150-E152 HydrophobicContact CZ-CG 3.74Å
151L98.1Very high98Very high19 Ų1949 Ų4910%0.09926%0.262CS..EExtended strand (participates in β ladder)trans-152.1156.9164.357146.1000110.9V119 L120 V121 G122 T153 N160 A164V119-L151 HydrophobicContact CG1-CD2 3.3Å; V119-L151 HydrophobicContact CG1-CG 4.41Å; L120-L151 PolarHBondContact O-N 3.15Å; L120-L151 VanDerWaalsContact O-N 3.16Å; V121-L151 WeakPolarHBondContact CA-O 3.49Å; G122-L151 PolarHBondContact N-O 2.77Å; G122-L151 VanDerWaalsContact N-O 3.09Å; L151-T153 HydrophobicContact CD1-CG2 3.87Å; L151-T153 HydrophobicContact CG-CG2 4.5Å; L151-N160 HydrophobicContact CD1-CB 3.64Å; L151-A164 HydrophobicContact CD1-CB 3.91Å
152E98.5Very high97.9Very high17 Ų1752 Ų528%0.07927%0.272CS..EExtended strand (participates in β ladder)trans-97.5142.6171.5-63.8170.9174.800109.8I92 G122 K125 N136 F150 N160I92-E152 HydrophobicContact CD1-CB 4.14Å; I92-E152 HydrophobicContact CD1-CG 3.9Å; G122-E152 CarbonylContact O-C 3.57Å; G122-E152 WeakPolarHBondContact O-CA 3.35Å; K125-E152 HydrophobicContact CB-CB 4.24Å; K125-E152 HydrophobicContact CD-CB 3.7Å; K125-E152 VanDerWaalsContact CE-OE2 3.31Å; K125-E152 WeakPolarHBondContact CE-OE2 3.37Å; K125-E152 HydrophobicContact CG-CB 4.01Å; N136-E152 WeakPolarHBondContact CB-OE1 3.34Å; N136-E152 VanDerWaalsContact ND2-CD 3.34Å; N136-E152 PolarHBondContact ND2-OE1 3.41Å; F150-E152 HydrophobicContact CE2-CG 4.1Å; F150-E152 HydrophobicContact CZ-CG 3.74Å; E152-N160 WeakPolarHBondContact O-CB 3.5Å; E152-N160 PolarHBondContact O-ND2 2.81Å
153T98.6Very high97.8Very high1 Ų153.9 Ų53.91%0.00628%0.281CS..  trans-131.3160.1-177.363.50000110.6V121 G122 N123 K124 K125 L151 E159 N160 I161 A164V121-T153 HydrophobicContact CG1-CG2 3.65Å; V121-T153 WeakPolarHBondContact CG1-OG1 3.45Å; G122-T153 PolarHBondContact O-N 2.93Å; N123-T153 CarbonylContact C-O 3.47Å; N123-T153 WeakPolarHBondContact CA-O 3.5Å; K124-T153 PolarHBondContact N-O 2.96Å; K124-T153 VanDerWaalsContact N-O 3.12Å; K125-T153 WeakPolarHBondContact CB-O 3.18Å; K125-T153 PolarHBondContact N-O 3.37Å; L151-T153 HydrophobicContact CD1-CG2 3.87Å; L151-T153 HydrophobicContact CG-CG2 4.5Å; T153-E159 VanDerWaalsContact CA-O 3.28Å; T153-E159 WeakPolarHBondContact CA-O 3.44Å; T153-E159 WeakPolarHBondContact CB-O 3.28Å; T153-N160 HydrophobicContact CG2-CB 3.96Å; T153-I161 HydrophobicContact CG2-CD1 4.3Å; T153-A164 HydrophobicContact CG2-CB 4.44Å
154S98.4Very high97.7Very high0 Ų053.8 Ų53.80%028%0.28CS..  trans-130.1113.5164.1170.90000109.3D126 L156 T157 G158 E159D126-S154 VanDerWaalsContact OD1-CB 3.25Å; D126-S154 WeakPolarHBondContact OD1-CB 3.05Å; D126-S154 PolarHBondContact OD1-OG 3.36Å; S154-L156 PolarHBondContact O-N 3.47Å; S154-L156 PolarHBondContact OG-N 2.92Å; S154-T157 VanDerWaalsContact CB-OG1 3.25Å; S154-T157 WeakPolarHBondContact CB-OG1 3.36Å; S154-T157 PolarHBondContact O-N 2.95Å; S154-T157 PolarHBondContact OG-N 3.06Å; S154-T157 PolarHBondContact OG-OG1 2.99Å; S154-G158 CarbonylContact O-C 3.48Å; S154-G158 VanDerWaalsContact O-CA 3.25Å; S154-G158 WeakPolarHBondContact O-CA 3.29Å; S154-G158 PolarHBondContact O-N 3.44Å; S154-E159 PolarHBondContact N-O 3.01Å; S154-E159 VanDerWaalsContact N-O 3.07Å; S154-E159 PolarHBondContact O-N 2.84Å
155A97.9Very high97.7Very high3 Ų346.2 Ų46.23%0.02524%0.244CC..THydrogen-bonded Turntrans-63.7-24.317000000112.1C25 I26 R29 F35 N123 I161C25-A155 HydrophobicContact CB-CB 3.7Å; I26-A155 HydrophobicContact CG1-CB 4.26Å; R29-A155 PolarHBondContact NE-O 2.89Å; R29-A155 PolarHBondContact NH2-O 3.16Å; F35-A155 HydrophobicContact CD2-CB 4.09Å; F35-A155 WeakPolarHBondContact CD2-O 3.44Å; F35-A155 HydrophobicContact CE2-CB 4.34Å; N123-A155 PolarHBondContact OD1-N 3.16Å; A155-I161 HydrophobicContact CB-CD1 4.47Å
156L97.5Very high97.6Very high83 Ų8341.1 Ų41.144%0.43522%0.218SC..THydrogen-bonded Turntrans-71.9-47.5177.6177.163.1000111.8R29 F35 D126 S154R29-L156 PolarHBondContact NH2-O 3.46Å; F35-L156 HydrophobicContact CD1-CD1 3.6Å; F35-L156 HydrophobicContact CE1-CD1 3.63Å; F35-L156 HydrophobicContact CE2-CB 4.4Å; F35-L156 HydrophobicContact CG-CD1 4.19Å; F35-L156 HydrophobicContact CZ-CB 4.45Å; F35-L156 HydrophobicContact CZ-CD1 4.24Å; D126-L156 VanDerWaalsContact OD2-CD2 3.26Å; D126-L156 WeakPolarHBondContact OD2-CD2 3.31Å; S154-L156 PolarHBondContact O-N 3.47Å; S154-L156 PolarHBondContact OG-N 2.92Å
157T97.4Very high97.3Very high86 Ų8641.9 Ų41.953%0.52822%0.22SC..THydrogen-bonded Turntrans-90.8-21.1-178.269.30000112.7D126 S154 E159D126-T157 HydrophobicContact CB-CG2 4.16Å; S154-T157 VanDerWaalsContact CB-OG1 3.25Å; S154-T157 WeakPolarHBondContact CB-OG1 3.36Å; S154-T157 PolarHBondContact O-N 2.95Å; S154-T157 PolarHBondContact OG-N 3.06Å; S154-T157 PolarHBondContact OG-OG1 2.99Å; T157-E159 VanDerWaalsContact C-N 3.34Å; T157-E159 WeakPolarHBondContact OG1-CB 3.49Å; T157-E159 PolarHBondContact OG1-N 2.87Å
158G97.8Very high97.2Very high27 Ų2735 Ų3528%0.27818%0.184SC..  trans87.9-0.5-170.800000113.7S154 N160 I161S154-G158 CarbonylContact O-C 3.48Å; S154-G158 VanDerWaalsContact O-CA 3.25Å; S154-G158 WeakPolarHBondContact O-CA 3.29Å; S154-G158 PolarHBondContact O-N 3.44Å; G158-N160 PolarHBondContact O-N 3.38Å; G158-I161 PolarHBondContact O-N 2.93Å
159E98.5Very high97.1Very high72 Ų7234.2 Ų34.234%0.33618%0.18SC..THydrogen-bonded Turntrans-56.6128.2-178.1-172-177.2164.200111.5K125 T153 S154 T157 I161K125-E159 WeakPolarHBondContact CD-OE1 3.14Å; K125-E159 IonicContact NZ-OE1 3.59Å; K125-E159 PolarHBondContact NZ-OE1 3.26Å; T153-E159 VanDerWaalsContact CA-O 3.28Å; T153-E159 WeakPolarHBondContact CA-O 3.44Å; T153-E159 WeakPolarHBondContact CB-O 3.28Å; S154-E159 PolarHBondContact N-O 3.01Å; S154-E159 VanDerWaalsContact N-O 3.07Å; S154-E159 PolarHBondContact O-N 2.84Å; T157-E159 VanDerWaalsContact C-N 3.34Å; T157-E159 WeakPolarHBondContact OG1-CB 3.49Å; T157-E159 PolarHBondContact OG1-N 2.87Å; E159-I161 PolarHBondContact O-N 3.14Å
160N98.1Very high97.1Very high61 Ų6135.9 Ų35.933%0.32618%0.183SC..THydrogen-bonded Turntrans55.98.2178.2-57.5-33.4000116.7L151 E152 T153 G158 E163 A164L151-N160 HydrophobicContact CD1-CB 3.64Å; E152-N160 WeakPolarHBondContact O-CB 3.5Å; E152-N160 PolarHBondContact O-ND2 2.81Å; T153-N160 HydrophobicContact CG2-CB 3.96Å; G158-N160 PolarHBondContact O-N 3.38Å; N160-E163 PolarHBondContact O-N 3.21Å; N160-A164 PolarHBondContact O-N 3.5Å
161I98.3Very high96.9Very high3 Ų337.4 Ų37.42%0.01519%0.19CC..Hα-helixtrans-63.5-46.9179.8-63.5-70.4000110.9I26 R29 Y30 T153 A155 G158 E159 E163 F165I26-I161 HydrophobicContact CB-CD1 4.36Å; I26-I161 HydrophobicContact CG1-CD1 3.89Å; I26-I161 HydrophobicContact CG2-CD1 4.15Å; R29-I161 HydrophobicContact CB-CG2 4.29Å; R29-I161 HydrophobicContact CG-CB 4.21Å; R29-I161 HydrophobicContact CG-CG1 3.91Å; R29-I161 HydrophobicContact CG-CG2 3.96Å; Y30-I161 HydrophobicContact CD2-CG2 4.16Å; Y30-I161 HydrophobicContact CG-CG2 4.45Å; T153-I161 HydrophobicContact CG2-CD1 4.3Å; A155-I161 HydrophobicContact CB-CD1 4.47Å; G158-I161 PolarHBondContact O-N 2.93Å; E159-I161 PolarHBondContact O-N 3.14Å; I161-E163 VanDerWaalsContact C-N 3.32Å; I161-E163 PolarHBondContact O-N 2.89Å; I161-F165 WeakPolarHBondContact O-CD2 3.36Å
162E97.1Very high96.6Very high90 Ų9036.5 Ų36.542%0.42119%0.185SC..Hα-helixtrans-64.6-37.7176.3-65.3-70.4165.100112.1Y30 K50 F165 T166Y30-E162 WeakPolarHBondContact CE2-OE2 3.48Å; K50-E162 IonicContact NZ-OE1 3.82Å; K50-E162 PolarHBondContact NZ-OE1 2.92Å; K50-E162 IonicContact NZ-OE2 2.88Å; K50-E162 PolarHBondContact NZ-OE2 2.6Å; E162-F165 PolarHBondContact O-N 3.31Å; E162-T166 VanDerWaalsContact O-CB 3.3Å; E162-T166 WeakPolarHBondContact O-CB 3.48Å; E162-T166 PolarHBondContact O-N 3.18Å; E162-T166 PolarHBondContact O-OG1 2.9Å
163E97.1Very high96.4Very high72 Ų7235.9 Ų35.934%0.33618%0.183SC..Hα-helixtrans-68-38.5-176.6-171.161.1-163.500111.5N160 I161 F165 T166 Q167N160-E163 PolarHBondContact O-N 3.21Å; I161-E163 VanDerWaalsContact C-N 3.32Å; I161-E163 PolarHBondContact O-N 2.89Å; E163-F165 VanDerWaalsContact C-N 3.27Å; E163-F165 PolarHBondContact O-N 2.74Å; E163-T166 PolarHBondContact O-N 3.19Å; E163-Q167 HydrophobicContact CG-CG 3.94Å; E163-Q167 WeakPolarHBondContact O-CB 3.29Å; E163-Q167 WeakPolarHBondContact O-CG 3.18Å; E163-Q167 PolarHBondContact O-N 2.95Å; E163-Q167 VanDerWaalsContact OE1-CD 3.3Å; E163-Q167 WeakPolarHBondContact OE1-CG 3.18Å; E163-Q167 PolarHBondContact OE1-NE2 2.84Å
164A96.9Very high96.2Very high1 Ų141.5 Ų41.51%0.00821%0.207CC..Hα-helixtrans-53-44176.800000112.5L87 V121 L151 T153 N160L87-A164 HydrophobicContact CD1-CB 4.25Å; L87-A164 HydrophobicContact CD2-CB 4.16Å; V121-A164 HydrophobicContact CG2-CB 4.43Å; L151-A164 HydrophobicContact CD1-CB 3.91Å; T153-A164 HydrophobicContact CG2-CB 4.44Å; N160-A164 PolarHBondContact O-N 3.5Å
165F97.3Very high95.9Very high0 Ų044.3 Ų44.30%022%0.22CC..Hα-helixtrans-80.5-42.6177.4-68-84.8000112F13 I15 I26 Y30 I63 L87 I161 E162 E163 Q167 C168 V169F13-F165 HydrophobicContact CD1-CD1 4.04Å; F13-F165 HydrophobicContact CD1-CE1 4.32Å; F13-F165 HydrophobicContact CE1-CD1 4.31Å; I15-F165 HydrophobicContact CD1-CZ 4.19Å; I26-F165 HydrophobicContact CG2-CE2 4.03Å; I26-F165 HydrophobicContact CG2-CZ 4.29Å; Y30-F165 HydrophobicContact CD1-CD1 4.47Å; Y30-F165 AromaticContact CD1-CD2 3.84Å; Y30-F165 HydrophobicContact CD1-CD2 3.84Å; Y30-F165 HydrophobicContact CD1-CE1 4.47Å; Y30-F165 AromaticContact CD1-CE2 3.84Å; Y30-F165 HydrophobicContact CD1-CE2 3.84Å; Y30-F165 HydrophobicContact CD1-CG 4.17Å; Y30-F165 HydrophobicContact CD1-CZ 4.16Å; Y30-F165 HydrophobicContact CD2-CB 4.5Å; Y30-F165 AromaticContact CD2-CD2 3.41Å; Y30-F165 HydrophobicContact CD2-CD2 3.41Å; Y30-F165 VanDerWaalsContact CD2-CD2 3.41Å; Y30-F165 AromaticContact CD2-CE2 3.86Å; Y30-F165 HydrophobicContact CD2-CE2 3.86Å; Y30-F165 HydrophobicContact CD2-CG 4.15Å; Y30-F165 HydrophobicContact CE1-CB 4.22Å; Y30-F165 HydrophobicContact CE1-CD1 4.18Å; Y30-F165 AromaticContact CE1-CD2 3.96Å; Y30-F165 HydrophobicContact CE1-CD2 3.96Å; Y30-F165 HydrophobicContact CE1-CE2 4.36Å; Y30-F165 AromaticContact CE1-CG 3.85Å; Y30-F165 HydrophobicContact CE1-CG 3.85Å; Y30-F165 HydrophobicContact CE2-CB 3.73Å; Y30-F165 AromaticContact CE2-CD2 3.52Å; Y30-F165 HydrophobicContact CE2-CD2 3.52Å; Y30-F165 HydrophobicContact CE2-CE2 4.37Å; Y30-F165 AromaticContact CE2-CG 3.82Å; Y30-F165 HydrophobicContact CE2-CG 3.82Å; Y30-F165 AromaticContact CG-CD2 3.56Å; Y30-F165 HydrophobicContact CG-CD2 3.56Å; Y30-F165 AromaticContact CG-CE2 3.54Å; Y30-F165 HydrophobicContact CG-CE2 3.54Å; Y30-F165 HydrophobicContact CG-CG 4.3Å; Y30-F165 HydrophobicContact CG-CZ 4.28Å; Y30-F165 AromaticContact CZ-CD2 3.8Å; Y30-F165 AromaticContact CZ-CG 3.66Å; I63-F165 HydrophobicContact CD1-CD1 4.2Å; I63-F165 HydrophobicContact CD1-CE1 3.62Å; I63-F165 HydrophobicContact CD1-CZ 3.94Å; I63-F165 HydrophobicContact CG1-CE1 4.08Å; I63-F165 HydrophobicContact CG2-CE1 4.28Å; L87-F165 HydrophobicContact CD1-CD1 4.41Å; L87-F165 HydrophobicContact CD1-CD2 4.24Å; L87-F165 HydrophobicContact CD1-CE1 3.79Å; L87-F165 HydrophobicContact CD1-CE2 3.59Å; L87-F165 HydrophobicContact CD1-CZ 3.34Å; L87-F165 HydrophobicContact CG-CE1 4.17Å; L87-F165 HydrophobicContact CG-CZ 4.19Å; I161-F165 WeakPolarHBondContact O-CD2 3.36Å; E162-F165 PolarHBondContact O-N 3.31Å; E163-F165 VanDerWaalsContact C-N 3.27Å; E163-F165 PolarHBondContact O-N 2.74Å; F165-Q167 PolarHBondContact O-N 3.18Å; F165-C168 PolarHBondContact O-N 2.96Å; F165-V169 VanDerWaalsContact O-CG2 3.22Å; F165-V169 WeakPolarHBondContact O-CG2 3.35Å; F165-V169 PolarHBondContact O-N 2.76Å
166T95.8Very high95.6Very high25 Ų2545.5 Ų45.515%0.15323%0.225CC..Hα-helixtrans-65.2-38.3-174.1-57.70000112.2V54 E162 E163 C168 V169 R170V54-T166 HydrophobicContact CG2-CG2 4.13Å; E162-T166 VanDerWaalsContact O-CB 3.3Å; E162-T166 WeakPolarHBondContact O-CB 3.48Å; E162-T166 PolarHBondContact O-N 3.18Å; E162-T166 PolarHBondContact O-OG1 2.9Å; E163-T166 PolarHBondContact O-N 3.19Å; T166-C168 PolarHBondContact O-N 3.32Å; T166-V169 PolarHBondContact O-N 2.82Å; T166-R170 VanDerWaalsContact O-CB 3.31Å; T166-R170 WeakPolarHBondContact O-CB 3.49Å; T166-R170 PolarHBondContact O-N 2.83Å
167Q91.8Very high95.2Very high55 Ų5548 Ų4826%0.25723%0.229SC..Hα-helixtrans-61.8-44.7175.1-71.7-170.50.600112.1E163 F165 R170 K171E163-Q167 HydrophobicContact CG-CG 3.94Å; E163-Q167 WeakPolarHBondContact O-CB 3.29Å; E163-Q167 WeakPolarHBondContact O-CG 3.18Å; E163-Q167 PolarHBondContact O-N 2.95Å; E163-Q167 VanDerWaalsContact OE1-CD 3.3Å; E163-Q167 WeakPolarHBondContact OE1-CG 3.18Å; E163-Q167 PolarHBondContact OE1-NE2 2.84Å; F165-Q167 PolarHBondContact O-N 3.18Å; Q167-R170 PolarHBondContact O-N 2.68Å; Q167-K171 WeakPolarHBondContact O-CG 3.29Å; Q167-K171 PolarHBondContact O-N 2.79Å; Q167-K171 VanDerWaalsContact O-N 3.16Å
168C94.4Very high95Very high0 Ų047.8 Ų47.80%023%0.225CC..Hα-helixtrans-63.6-47.5178.7-170.60000110.8F13 M117 V119 F165 T166 R170 K171 L172F13-C168 HydrophobicContact CE1-CB 3.66Å; F13-C168 WeakPolarHBondContact CE1-SG 3.41Å; F13-C168 HydrophobicContact CZ-CB 3.8Å; F13-C168 WeakPolarHBondContact CZ-SG 3.36Å; M117-C168 VanDerWaalsContact CG-SG 3.54Å; M117-C168 HydrophobicContact SD-CB 4.38Å; V119-C168 HydrophobicContact CG2-CB 4.04Å; F165-C168 PolarHBondContact O-N 2.96Å; T166-C168 PolarHBondContact O-N 3.32Å; C168-R170 PolarHBondContact O-N 3.31Å; C168-K171 PolarHBondContact O-N 3.07Å; C168-L172 WeakPolarHBondContact O-CG 3.47Å; C168-L172 PolarHBondContact O-N 3.17Å
169V95.7Very high94.5Very high0 Ų049.8 Ų49.80%025%0.245CC..Hα-helixtrans-61.2-44.3178.4174.80000111.6F11 F13 I52 V54 V59 I61 F165 T166 K171 L172 V173F11-V169 HydrophobicContact CD2-CG1 4.22Å; F11-V169 HydrophobicContact CD2-CG2 4.28Å; F11-V169 HydrophobicContact CE2-CG1 4.01Å; F13-V169 HydrophobicContact CE2-CG2 4.19Å; F13-V169 HydrophobicContact CZ-CG2 3.93Å; I52-V169 HydrophobicContact CD1-CB 4.17Å; I52-V169 HydrophobicContact CD1-CG1 4.05Å; I52-V169 HydrophobicContact CD1-CG2 4Å; V54-V169 HydrophobicContact CB-CG1 4.25Å; V54-V169 HydrophobicContact CG2-CB 4.29Å; V54-V169 HydrophobicContact CG2-CG1 3.71Å; V59-V169 HydrophobicContact CB-CG1 4.1Å; V59-V169 HydrophobicContact CG1-CG1 4.12Å; V59-V169 HydrophobicContact CG2-CG1 3.97Å; I61-V169 HydrophobicContact CD1-CG2 3.46Å; I61-V169 VanDerWaalsContact CD1-CG2 3.46Å; I61-V169 HydrophobicContact CG1-CG2 4.05Å; F165-V169 VanDerWaalsContact O-CG2 3.22Å; F165-V169 WeakPolarHBondContact O-CG2 3.35Å; F165-V169 PolarHBondContact O-N 2.76Å; T166-V169 PolarHBondContact O-N 2.82Å; V169-K171 VanDerWaalsContact C-N 3.33Å; V169-K171 PolarHBondContact O-N 2.88Å; V169-L172 PolarHBondContact O-N 3.2Å; V169-V173 HydrophobicContact CG1-CG2 4.33Å; V169-V173 WeakPolarHBondContact O-CG2 3.39Å; V169-V173 PolarHBondContact O-N 2.81Å
170R95.2Very high94Very high94 Ų9451.6 Ų51.636%0.35525%0.253SS..Hα-helixtrans-57.1-47.2178.4-174.8175.6-69.4114.1-3.1111.6V54 D55 T166 Q167 C168 V173 F174V54-R170 HydrophobicContact CG1-CB 3.69Å; V54-R170 HydrophobicContact CG1-CG 3.99Å; D55-R170 IonicContact OD1-NE 2.89Å; D55-R170 WeakPolarHBondContact OD2-CD 3.47Å; D55-R170 WeakPolarHBondContact OD2-CG 3.21Å; D55-R170 IonicContact OD2-NE 3.11Å; D55-R170 PolarHBondContact OD2-NE 2.95Å; T166-R170 VanDerWaalsContact O-CB 3.31Å; T166-R170 WeakPolarHBondContact O-CB 3.49Å; T166-R170 PolarHBondContact O-N 2.83Å; Q167-R170 PolarHBondContact O-N 2.68Å; C168-R170 PolarHBondContact O-N 3.31Å; R170-V173 PolarHBondContact O-N 3.15Å; R170-F174 WeakPolarHBondContact O-CB 3.25Å; R170-F174 PolarHBondContact O-N 3.26Å
171K93.6Very high93.3Very high76 Ų7649.1 Ų49.133%0.3324%0.24SC..Hα-helixtrans-69.1-38.8179.8-67.8177.5-172-121.70112.3M117 H149 Q167 C168 V169 F174 K175M117-K171 HydrophobicContact CE-CB 3.42Å; M117-K171 VanDerWaalsContact CE-CB 3.42Å; M117-K171 HydrophobicContact CE-CD 3.92Å; M117-K171 HydrophobicContact CE-CG 4.31Å; M117-K171 HydrophobicContact SD-CB 3.45Å; M117-K171 WeakPolarHBondContact SD-CB 3.44Å; M117-K171 HydrophobicContact SD-CD 3.77Å; M117-K171 HydrophobicContact SD-CG 4.22Å; H149-K171 PolarHBondContact CE1-NZ 2.92Å; H149-K171 WeakPolarHBondContact NE2-CD 3.19Å; H149-K171 VanDerWaalsContact NE2-CE 3.25Å; H149-K171 WeakPolarHBondContact NE2-CE 3.44Å; H149-K171 PolarHBondContact NE2-NZ 2.83Å; Q167-K171 WeakPolarHBondContact O-CG 3.29Å; Q167-K171 PolarHBondContact O-N 2.79Å; Q167-K171 VanDerWaalsContact O-N 3.16Å; C168-K171 PolarHBondContact O-N 3.07Å; V169-K171 VanDerWaalsContact C-N 3.33Å; V169-K171 PolarHBondContact O-N 2.88Å; K171-F174 WeakPolarHBondContact O-CB 3.25Å; K171-F174 PolarHBondContact O-N 2.88Å; K171-K175 WeakPolarHBondContact O-CG 3.34Å; K171-K175 PolarHBondContact O-N 3.44Å
172L93.7Very high92.5Very high0 Ų052.7 Ų52.70%026%0.259CS..Hα-helixtrans-59.9-47.3173.2-72.4169.6000111.1F11 F13 V84 M117 C168 V169 F174 K175 I176 L181F11-L172 HydrophobicContact CD2-CB 4.21Å; F11-L172 HydrophobicContact CD2-CD1 3.7Å; F11-L172 HydrophobicContact CE2-CB 3.51Å; F11-L172 HydrophobicContact CE2-CD1 3.9Å; F11-L172 HydrophobicContact CE2-CG 4.37Å; F11-L172 HydrophobicContact CG-CD1 4.18Å; F11-L172 HydrophobicContact CZ-CB 3.71Å; F13-L172 HydrophobicContact CE2-CD1 4.01Å; F13-L172 HydrophobicContact CZ-CD1 3.93Å; V84-L172 HydrophobicContact CB-CD1 4.44Å; V84-L172 HydrophobicContact CB-CD2 4.31Å; V84-L172 HydrophobicContact CG2-CD1 3.94Å; M117-L172 HydrophobicContact CB-CD2 4.32Å; C168-L172 WeakPolarHBondContact O-CG 3.47Å; C168-L172 PolarHBondContact O-N 3.17Å; V169-L172 PolarHBondContact O-N 3.2Å; L172-F174 VanDerWaalsContact C-N 3.3Å; L172-F174 PolarHBondContact O-N 3.18Å; L172-K175 PolarHBondContact O-N 3.34Å; L172-I176 VanDerWaalsContact O-CD1 3.3Å; L172-I176 WeakPolarHBondContact O-CD1 3.35Å; L172-I176 VanDerWaalsContact O-CG1 3.25Å; L172-I176 WeakPolarHBondContact O-CG1 3.25Å; L172-I176 PolarHBondContact O-N 3.35Å; L172-L181 HydrophobicContact CD2-CD2 3.66Å
173V93.6Very high91.2Very high4 Ų449.5 Ų49.52%0.02425%0.245CC..Hα-helixtrans-59.6-41.2175.7170.50000111.4Y9 F11 T57 V59 V169 R170 I176 R177Y9-V173 HydrophobicContact CD2-CG2 4.14Å; Y9-V173 HydrophobicContact CE2-CG2 4.37Å; F11-V173 HydrophobicContact CE2-CG2 4.09Å; F11-V173 HydrophobicContact CZ-CG2 4.15Å; T57-V173 HydrophobicContact CG2-CG1 4.4Å; T57-V173 HydrophobicContact CG2-CG2 4.32Å; V59-V173 HydrophobicContact CG2-CG2 3.95Å; V169-V173 HydrophobicContact CG1-CG2 4.33Å; V169-V173 WeakPolarHBondContact O-CG2 3.39Å; V169-V173 PolarHBondContact O-N 2.81Å; R170-V173 PolarHBondContact O-N 3.15Å; V173-I176 PolarHBondContact O-N 3.21Å; V173-R177 HydrophobicContact CG1-CG 4.49Å; V173-R177 VanDerWaalsContact O-CG 3.31Å; V173-R177 WeakPolarHBondContact O-CG 3.3Å; V173-R177 PolarHBondContact O-N 3.22Å
174F93.6Very high89.8Confident120 Ų12051.1 Ų51.153%0.52626%0.256SS..Hα-helixtrans-62-50.2176-179.5-98.7000112R170 K171 L172 I176 R177 N178R170-F174 WeakPolarHBondContact O-CB 3.25Å; R170-F174 PolarHBondContact O-N 3.26Å; K171-F174 WeakPolarHBondContact O-CB 3.25Å; K171-F174 PolarHBondContact O-N 2.88Å; L172-F174 VanDerWaalsContact C-N 3.3Å; L172-F174 PolarHBondContact O-N 3.18Å; F174-I176 VanDerWaalsContact C-N 3.3Å; F174-I176 PolarHBondContact O-N 2.87Å; F174-R177 PolarHBondContact O-N 3.31Å; F174-R177 VanDerWaalsContact O-N 3.13Å; F174-N178 WeakPolarHBondContact CE1-ND2 3.45Å; F174-N178 WeakPolarHBondContact CZ-ND2 3.1Å; F174-N178 PolarHBondContact O-N 3.01Å
175K92.2Very high87.9Confident59 Ų5960.9 Ų60.926%0.25729%0.292SS..Hα-helixtrans-56.6-42.5177-73.4-171.2170.4-168.60112.2M117 K171 L172 N178 G179 E180 L181M117-K175 HydrophobicContact CE-CD 4.4Å; K171-K175 WeakPolarHBondContact O-CG 3.34Å; K171-K175 PolarHBondContact O-N 3.44Å; L172-K175 PolarHBondContact O-N 3.34Å; K175-N178 PolarHBondContact O-N 3.07Å; K175-G179 PolarHBondContact O-N 3.29Å; K175-E180 HydrophobicContact CB-CB 4.12Å; K175-E180 HydrophobicContact CG-CB 4.42Å; K175-E180 PolarHBondContact O-N 2.96Å; K175-L181 HydrophobicContact CB-CB 3.84Å; K175-L181 PolarHBondContact O-N 3Å
176I91.4Very high85.9Confident27 Ų2762.1 Ų62.114%0.13830%0.299CS..Hα-helixtrans-64.4-45.1177.5-65.2156000111.1Y9 F11 L172 V173 F174 N178 G179 L181 L183Y9-I176 HydrophobicContact CD2-CD1 4.44Å; Y9-I176 HydrophobicContact CE1-CG2 4.12Å; Y9-I176 HydrophobicContact CE2-CD1 4.44Å; Y9-I176 HydrophobicContact CE2-CG2 4.49Å; F11-I176 HydrophobicContact CE1-CD1 3.69Å; F11-I176 HydrophobicContact CZ-CD1 3.57Å; L172-I176 VanDerWaalsContact O-CD1 3.3Å; L172-I176 WeakPolarHBondContact O-CD1 3.35Å; L172-I176 VanDerWaalsContact O-CG1 3.25Å; L172-I176 WeakPolarHBondContact O-CG1 3.25Å; L172-I176 PolarHBondContact O-N 3.35Å; V173-I176 PolarHBondContact O-N 3.21Å; F174-I176 VanDerWaalsContact C-N 3.3Å; F174-I176 PolarHBondContact O-N 2.87Å; I176-N178 PolarHBondContact O-N 3.19Å; I176-G179 PolarHBondContact O-N 2.61Å; I176-G179 VanDerWaalsContact O-N 3.09Å; I176-L181 HydrophobicContact CD1-CD2 4.37Å; I176-L181 HydrophobicContact CG1-CB 4.04Å; I176-L181 HydrophobicContact CG1-CD2 3.99Å; I176-L181 HydrophobicContact CG1-CG 4.23Å; I176-L183 HydrophobicContact CD1-CD1 3.45Å; I176-L183 VanDerWaalsContact CD1-CD1 3.45Å; I176-L183 HydrophobicContact CD1-CD2 4.16Å; I176-L183 HydrophobicContact CD1-CG 3.7Å; I176-L183 HydrophobicContact CG1-CD1 4.18Å; I176-L183 HydrophobicContact CG1-CG 4.03Å
177R90.3Very high83.6Confident135 Ų13569.3 Ų69.351%0.50933%0.328SS..Hα-helixtrans-63.4-29.6179.6-75174.8176.4-176.2-2.2112.4D55 T57 V173 F174D55-R177 PolarHBondContact O-NH2 2.83Å; D55-R177 VanDerWaalsContact O-NH2 3.12Å; T57-R177 PolarHBondContact OG1-NH2 3.12Å; V173-R177 HydrophobicContact CG1-CG 4.49Å; V173-R177 VanDerWaalsContact O-CG 3.31Å; V173-R177 WeakPolarHBondContact O-CG 3.3Å; V173-R177 PolarHBondContact O-N 3.22Å; F174-R177 PolarHBondContact O-N 3.31Å; F174-R177 VanDerWaalsContact O-N 3.13Å
178N92Very high81.2Confident83 Ų8369 Ų6944%0.44433%0.331SS..THydrogen-bonded Turntrans-87.8-2.8176.7-66.4-4.2000113.9F174 K175 I176 E180F174-N178 WeakPolarHBondContact CE1-ND2 3.45Å; F174-N178 WeakPolarHBondContact CZ-ND2 3.1Å; F174-N178 PolarHBondContact O-N 3.01Å; K175-N178 PolarHBondContact O-N 3.07Å; I176-N178 PolarHBondContact O-N 3.19Å; N178-E180 VanDerWaalsContact C-N 3.28Å; N178-E180 HydrophobicContact CB-CG 4.06Å; N178-E180 WeakPolarHBondContact CB-OE1 3.22Å; N178-E180 PolarHBondContact ND2-OE1 3.12Å; N178-E180 PolarHBondContact O-N 3.3Å
179G87.6Confident78.3Confident68 Ų6875.7 Ų75.770%0.70137%0.367SS*.THydrogen-bonded Turntrans74.314.9-176.500000114.5K175 I176K175-G179 PolarHBondContact O-N 3.29Å; I176-G179 PolarHBondContact O-N 2.61Å; I176-G179 VanDerWaalsContact O-N 3.09Å
180E87.4Confident75.3Confident111 Ų11184.5 Ų84.552%0.51940%0.4SS..SBendtrans-82-22176.8-63.5167.1-148.400112.1K175 N178K175-E180 HydrophobicContact CB-CB 4.12Å; K175-E180 HydrophobicContact CG-CB 4.42Å; K175-E180 PolarHBondContact O-N 2.96Å; N178-E180 VanDerWaalsContact C-N 3.28Å; N178-E180 HydrophobicContact CB-CG 4.06Å; N178-E180 WeakPolarHBondContact CB-OE1 3.22Å; N178-E180 PolarHBondContact ND2-OE1 3.12Å; N178-E180 PolarHBondContact O-N 3.3Å
181L85.4Confident72.3Confident9 Ų989 Ų895%0.04743%0.425CS..SBendtrans-130.7118.1178.3-175.169.7000110.6D115 L172 K175 I176 L186D115-L181 HydrophobicContact CB-CD1 3.75Å; L172-L181 HydrophobicContact CD2-CD2 3.66Å; K175-L181 HydrophobicContact CB-CB 3.84Å; K175-L181 PolarHBondContact O-N 3Å; I176-L181 HydrophobicContact CD1-CD2 4.37Å; I176-L181 HydrophobicContact CG1-CB 4.04Å; I176-L181 HydrophobicContact CG1-CD2 3.99Å; I176-L181 HydrophobicContact CG1-CG 4.23Å; L181-L186 HydrophobicContact CD1-CD1 4.17Å
182D79.7Confident69.4Low77 Ų7788.9 Ų88.941%0.41243%0.434SS..  trans-98.1103.9177.8-178.75000110.8D184 R185D182-D184 VanDerWaalsContact C-N 3.3Å; D182-D184 PolarHBondContact O-N 3.23Å; D182-D184 WeakPolarHBondContact OD1-CB 3.46Å; D182-D184 PolarHBondContact OD1-N 2.57Å; D182-R185 HydrophobicContact CB-CG 4.27Å; D182-R185 PolarHBondContact O-N 3.35Å; D182-R185 WeakPolarHBondContact OD2-CG 3.47Å; D182-R185 IonicContact OD2-NE 3.35Å; D182-R185 PolarHBondContact OD2-NE 3.2Å
183L71.4Confident66.4Low24 Ų2493.4 Ų93.413%0.12647%0.466CS..THydrogen-bonded Turntrans-72-19.4177.4-71.6174.1000113.8Y9 F11 I176 R185 L186Y9-L183 HydrophobicContact CD1-CD1 3.38Å; Y9-L183 HydrophobicContact CE1-CD1 3.95Å; Y9-L183 HydrophobicContact CG-CD1 3.91Å; F11-L183 HydrophobicContact CD1-CD2 4.26Å; F11-L183 HydrophobicContact CE1-CD1 3.96Å; F11-L183 HydrophobicContact CE1-CD2 3.91Å; F11-L183 HydrophobicContact CE1-CG 4.49Å; I176-L183 HydrophobicContact CD1-CD1 3.45Å; I176-L183 VanDerWaalsContact CD1-CD1 3.45Å; I176-L183 HydrophobicContact CD1-CD2 4.16Å; I176-L183 HydrophobicContact CD1-CG 3.7Å; I176-L183 HydrophobicContact CG1-CD1 4.18Å; I176-L183 HydrophobicContact CG1-CG 4.03Å; L183-R185 PolarHBondContact O-N 3.05Å; L183-L186 HydrophobicContact CD2-CB 4.42Å; L183-L186 HydrophobicContact CD2-CD1 3.87Å; L183-L186 CarbonylContact O-C 3.59Å; L183-L186 VanDerWaalsContact O-CA 3.24Å; L183-L186 WeakPolarHBondContact O-CA 3.27Å; L183-L186 WeakPolarHBondContact O-CB 3.42Å; L183-L186 PolarHBondContact O-N 3.33Å
184D66.9Low63.4Low106 Ų10698.5 Ų98.557%0.56750%0.502SS*.THydrogen-bonded Turntrans-69.6-20.7179.5-75.9-21.7000110.9D182 L186 R190D182-D184 VanDerWaalsContact C-N 3.3Å; D182-D184 PolarHBondContact O-N 3.23Å; D182-D184 WeakPolarHBondContact OD1-CB 3.46Å; D182-D184 PolarHBondContact OD1-N 2.57Å; D184-L186 VanDerWaalsContact C-N 3.3Å; D184-R190 VanDerWaalsContact CG-NH2 3.3Å; D184-R190 IonicContact OD1-CZ 3.17Å; D184-R190 IonicContact OD1-NH2 2.77Å; D184-R190 PolarHBondContact OD1-NH2 3.04Å; D184-R190 IonicContact OD2-NH2 3.71Å; D184-R190 PolarHBondContact OD2-NH2 3.29Å; D184-R190 VanDerWaalsContact OD2-NH2 3.1Å
185R57.1Low60.3Low205 Ų20599.8 Ų99.877%0.77451%0.513SS*.SBendtrans-69.1-30.3165.1-61.7-180-176.5-163.2-4.5112.5D182 L183 K187D182-R185 HydrophobicContact CB-CG 4.27Å; D182-R185 PolarHBondContact O-N 3.35Å; D182-R185 WeakPolarHBondContact OD2-CG 3.47Å; D182-R185 IonicContact OD2-NE 3.35Å; D182-R185 PolarHBondContact OD2-NE 3.2Å; L183-R185 PolarHBondContact O-N 3.05Å; R185-K187 VanDerWaalsContact C-N 3.35Å; R185-K187 PolarHBondContact O-N 3.49Å
186L55.6Low57.3Low27 Ų27103.4 Ų103.414%0.14154%0.541CS..SBendtrans-97.360.2-178.9-61158.3000108.8V84 L181 L183 D184 C188V84-L186 HydrophobicContact CG1-CD1 3.53Å; V84-L186 HydrophobicContact CG1-CD2 4.07Å; V84-L186 HydrophobicContact CG1-CG 4.28Å; L181-L186 HydrophobicContact CD1-CD1 4.17Å; L183-L186 HydrophobicContact CD2-CB 4.42Å; L183-L186 HydrophobicContact CD2-CD1 3.87Å; L183-L186 CarbonylContact O-C 3.59Å; L183-L186 VanDerWaalsContact O-CA 3.24Å; L183-L186 WeakPolarHBondContact O-CA 3.27Å; L183-L186 WeakPolarHBondContact O-CB 3.42Å; L183-L186 PolarHBondContact O-N 3.33Å; D184-L186 VanDerWaalsContact C-N 3.3Å; L186-C188 PolarHBondContact O-N 2.79Å
187K47Very low54.3Low176 Ų176111.7 Ų111.777%0.76558%0.576SS**  trans-25.991.9-173.4-66.1179.9179177.10114.5R185 N189R185-K187 VanDerWaalsContact C-N 3.35Å; R185-K187 PolarHBondContact O-N 3.49Å; K187-N189 PolarHBondContact O-N 3.15Å
188C41.5Very low51.3Low47 Ų47111.9 Ų111.932%0.31859%0.587SS.*  trans-79.9110.2158.8-175.90000106L10 L186 R190L10-C188 HydrophobicContact CB-CB 4.46Å; L10-C188 VanDerWaalsContact CB-SG 3.52Å; L186-C188 PolarHBondContact O-N 2.79Å; C188-R190 VanDerWaalsContact C-N 3.29Å; C188-R190 PolarHBondContact O-N 2.88Å
189N32.6Very low48.2Very low142 Ų142116 Ų11676%0.75960%0.604SS**  trans-53.493.2174.4-87.7-20000109.6K187 Q191K187-N189 PolarHBondContact O-N 3.15Å; N189-Q191 PolarHBondContact O-N 3.42Å; N189-Q191 VanDerWaalsContact O-N 3.16Å
190R33.9Very low45.3Very low184 Ų184123.6 Ų123.669%0.69461%0.611SS**  trans-67.9110.4164.3-63.7-173.7-160.5174.37.9104.9D184 C188D184-R190 VanDerWaalsContact CG-NH2 3.3Å; D184-R190 IonicContact OD1-CZ 3.17Å; D184-R190 IonicContact OD1-NH2 2.77Å; D184-R190 PolarHBondContact OD1-NH2 3.04Å; D184-R190 IonicContact OD2-NH2 3.71Å; D184-R190 PolarHBondContact OD2-NH2 3.29Å; D184-R190 VanDerWaalsContact OD2-NH2 3.1Å; C188-R190 VanDerWaalsContact C-N 3.29Å; C188-R190 PolarHBondContact O-N 2.88Å
191Q32.3Very low42.7Very low189 Ų189122.8 Ų122.888%0.88362%0.615SS**  trans69.294.1172.7-50173.31900115N189N189-Q191 PolarHBondContact O-N 3.42Å; N189-Q191 VanDerWaalsContact O-N 3.16Å
192S32.9Very low40Very low74 Ų74132.3 Ų132.352%0.51766%0.657SS.*  trans-116.8100140.9-169.70000107S194S192-S194 PolarHBondContact O-N 2.9Å
193S29.4Very low37.7Very low95 Ų95135.9 Ų135.966%0.66467%0.669SS**  trans-34.9125.3148.944.60000110L195S193-L195 PolarHBondContact O-N 3.1Å
194S30.4Very low35.8Very low111 Ų111137.6 Ų137.678%0.77669%0.692SS**  trans40.272.2151.555.60000116S192S192-S194 PolarHBondContact O-N 2.9Å
195L29Very low34Very low146 Ų146138 Ų13876%0.76470%0.703SS**  trans-112.499.3152.5-71.2174.2000106.8S193 F197S193-L195 PolarHBondContact O-N 3.1Å; L195-F197 PolarHBondContact O-N 3.09Å; L195-F197 VanDerWaalsContact O-N 3.12Å
196T29.7Very low32.6Very low136 Ų136134.7 Ų134.783%0.83470%0.7SS**  trans-51.4115.8168.238.10000108.3N198T196-N198 PolarHBondContact O-N 3.01Å
197F28.9Very low31.3Very low200 Ų200138.5 Ų138.588%0.87773%0.726SS**  trans-63.993.7178-170.8-97.3000108.9L195L195-F197 PolarHBondContact O-N 3.09Å; L195-F197 VanDerWaalsContact O-N 3.12Å
198N25.8Very low30.4Very low140 Ų140138.8 Ų138.875%0.74973%0.73SS**  trans-136.461.3171.6-151.721.7000109.6T196T196-N198 PolarHBondContact O-N 3.01Å
199E27.8Very low29.8Very low169 Ų169142.7 Ų142.779%0.7975%0.752SS**  trans-110.291.4164.9-70.9-167.6156.700108.5P201E199-P201 WeakPolarHBondContact O-CD 3.26Å
200R27.4Very low29.5Very low227 Ų227144 Ų14486%0.85775%0.753SS**  trans-71.7116.7151.6-76.2-175.3179.6-172.7-0.1106.2K202R200-K202 PolarHBondContact O-N 3.05Å
201P31.3Very low29.4Very low94 Ų94140.7 Ų140.761%0.6175%0.753SS**  trans-61.9125.617921.9-29.5000109.3E199 F203E199-P201 WeakPolarHBondContact O-CD 3.26Å; P201-F203 HydrophobicContact CB-CD2 3.86Å; P201-F203 HydrophobicContact CB-CE2 3.87Å; P201-F203 HydrophobicContact CG-CD2 3.86Å; P201-F203 HydrophobicContact CG-CE2 3.73Å; P201-F203 PolarHBondContact O-N 2.71Å
202K29.4Very low29.3Very low210 Ų210139.8 Ų139.891%0.91375%0.749SS**  trans-68.480.7167.8-69.2-170-179.8-177.70108.1R200 G204R200-K202 PolarHBondContact O-N 3.05Å; K202-G204 PolarHBondContact O-N 3.23Å; K202-G204 VanDerWaalsContact O-N 3.14Å
203F32.3Very low29Very low152 Ų152143.2 Ų143.267%0.66776%0.762SS**  trans-67.8108.3166.7-90.2-86.3000108.2P201 S205P201-F203 HydrophobicContact CB-CD2 3.86Å; P201-F203 HydrophobicContact CB-CE2 3.87Å; P201-F203 HydrophobicContact CG-CD2 3.86Å; P201-F203 HydrophobicContact CG-CE2 3.73Å; P201-F203 PolarHBondContact O-N 2.71Å; F203-S205 PolarHBondContact O-N 3.31Å
204G30.5Very low29.3Very low59 Ų59145.9 Ų145.961%0.60877%0.768SS**  trans-57.7120.2163.700000108.9K202 I206K202-G204 PolarHBondContact O-N 3.23Å; K202-G204 VanDerWaalsContact O-N 3.14Å; G204-I206 PolarHBondContact O-N 2.99Å; G204-I206 VanDerWaalsContact O-N 3.12Å
205S29.9Very low29.3Very low116 Ų116145.7 Ų145.781%0.81177%0.767SS**  trans8.888.9158.554.40000115.7F203F203-S205 PolarHBondContact O-N 3.31Å
206I28.1Very low29.5Very low135 Ų135144.8 Ų144.869%0.69277%0.768SS**  trans-73.6123.8156.6-64.7172.7000106.1G204 Q208G204-I206 PolarHBondContact O-N 2.99Å; G204-I206 VanDerWaalsContact O-N 3.12Å; I206-Q208 PolarHBondContact O-N 2.69Å
207P27Very low29.5Very low107 Ų107145.3 Ų145.370%0.69577%0.765SS**  trans-58.6123.6178.4-20.331000109.8V209P207-V209 PolarHBondContact O-N 3.31Å
208Q28.7Very low29.8Very low181 Ų181140.8 Ų140.885%0.84676%0.758SS**  trans-64.6103.5168.9-70.5-165.3-30.300108I206 H210I206-Q208 PolarHBondContact O-N 2.69Å; Q208-H210 PolarHBondContact O-N 3.33Å; Q208-H210 VanDerWaalsContact O-N 3.17Å
209V28.1Very low30.2Very low129 Ų129143.7 Ų143.778%0.78276%0.76SS**  trans-71.9106.8167.1-174.60000106.3P207 V211P207-V209 PolarHBondContact O-N 3.31Å; V209-V211 PolarHBondContact O-N 3.32Å; V209-V211 VanDerWaalsContact O-N 3.15Å
210H27.7Very low30.5Very low169 Ų169143.5 Ų143.578%0.78276%0.759SS**  trans-66.5108171.7-126.665.8000107.6Q208 Q212Q208-H210 PolarHBondContact O-N 3.33Å; Q208-H210 VanDerWaalsContact O-N 3.17Å; H210-Q212 PolarHBondContact O-N 2.87Å
211V30.3Very low30.6Very low116 Ų116139 Ų13970%0.70376%0.76SS**  trans-76.1105.9169.8-178.10000106.3V209 N213V209-V211 PolarHBondContact O-N 3.32Å; V209-V211 VanDerWaalsContact O-N 3.15Å; V211-N213 PolarHBondContact O-N 3.28Å
212Q29.9Very low31.1Very low169 Ų169140.9 Ų140.979%0.7977%0.766SS**  trans-64.9114.9164.7-84.5175.3-54.800107.5H210 D214H210-Q212 PolarHBondContact O-N 2.87Å; Q212-D214 VanDerWaalsContact C-N 3.3Å; Q212-D214 PolarHBondContact O-N 3.25Å
213N28.3Very low32Very low146 Ų146140.4 Ų140.478%0.78179%0.787SS**  trans-68.989.6168-76.7-20.1000108.2V211 S215V211-N213 PolarHBondContact O-N 3.28Å; N213-S215 VanDerWaalsContact C-N 3.28Å; N213-S215 PolarHBondContact O-N 3.22Å
214D34Very low32Very low151 Ų151139.9 Ų139.981%0.80779%0.793SS**  trans-75.590.6162.3-92.3-14.6000108.4Q212 T216Q212-D214 VanDerWaalsContact C-N 3.3Å; Q212-D214 PolarHBondContact O-N 3.25Å; D214-T216 PolarHBondContact O-N 3.04Å
215S30.5Very low32.1Very low107 Ų107144.1 Ų144.175%0.74880%0.802SS**  trans-69.398.9165.453.10000109.7N213N213-S215 VanDerWaalsContact C-N 3.28Å; N213-S215 PolarHBondContact O-N 3.22Å
216T34.1Very low32.2Very low127 Ų127145.7 Ų145.778%0.77980%0.802SS**  trans-136.279154.652.40000109.2D214 S218D214-T216 PolarHBondContact O-N 3.04Å; T216-S218 PolarHBondContact O-N 3.34Å
217L30.6Very low32.4Very low147 Ų147146.3 Ų146.377%0.7781%0.808SS**  trans-78.489.5160.2-76.9161.2000107.5Y219L217-Y219 HydrophobicContact CB-CD2 4.26Å; L217-Y219 HydrophobicContact CB-CE2 4.33Å; L217-Y219 HydrophobicContact CD2-CE2 3.87Å; L217-Y219 PolarHBondContact O-N 3.33Å
218S33.6Very low32.8Very low105 Ų105148.8 Ų148.873%0.73482%0.815SS**  trans-83.690.4162.654.20000108.3T216 E220T216-S218 PolarHBondContact O-N 3.34Å; S218-E220 PolarHBondContact O-N 3.27Å
219Y34.3Very low33Very low201 Ų201146.6 Ų146.679%0.78881%0.813SS**  trans-79.194.7158.4-78.9-83.9000107.6L217L217-Y219 HydrophobicContact CB-CD2 4.26Å; L217-Y219 HydrophobicContact CB-CE2 4.33Å; L217-Y219 HydrophobicContact CD2-CE2 3.87Å; L217-Y219 PolarHBondContact O-N 3.33Å
220E35.2Very low33.4Very low166 Ų166147.9 Ų147.978%0.77682%0.816SS**  trans-91.1102.6162.6-77.1-176.116600108.4S218 N222S218-E220 PolarHBondContact O-N 3.27Å; E220-N222 PolarHBondContact O-N 3.31Å
221C29.5Very low33.8Very low131 Ų131146.2 Ų146.289%0.88582%0.818SS**  trans-76.399.5166.5-169.40000107.2
222N40.9Very low34.1Very low135 Ų135148.8 Ų148.872%0.72283%0.828SS**  trans-89.3111.1170.5-81.1-27000109E220E220-N222 PolarHBondContact O-N 3.31Å
223C48.4Very low34.5Very low200 Ų200146.9 Ų146.9100%1.35183%0.831SS**  trans40.50154.7-57.30000119.3

Retrieved 223 of 223 residues in 136.8 ms (Link to these results)

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