A0A077ZCJ8_TRITR Loading...

FLYWCH domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCJ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 134 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
1M57.9Low69.1Low152 Ų15299.3 Ų99.375%0.74947%0.471SS*.  0146.60-61.6-165.3-175.700109F13M1-F13 HydrophobicContact SD-CZ 4Å
2A63Low70.9Confident44 Ų4494.2 Ų94.236%0.36445%0.446SS..EExtended strand (participates in β ladder)trans-123.9141.6-176.800000110.5F14A2-F14 HydrophobicContact CB-CD2 3.86Å; A2-F14 WeakPolarHBondContact O-CD2 3.44Å; A2-F14 PolarHBondContact O-N 3.3Å; A2-F14 VanDerWaalsContact O-N 3.14Å
3H68.1Low72.4Confident115 Ų11586.9 Ų86.953%0.53241%0.411SS..EExtended strand (participates in β ladder)trans-122.4148.9167.866.6-81.9000108.2K12H3-K12 CarbonylContact C-O 3.52Å; H3-K12 WeakPolarHBondContact CA-O 3.48Å; H3-K12 WeakPolarHBondContact CB-O 3.35Å
4S68.6Low73.8Confident13 Ų1381.7 Ų81.79%0.09139%0.386CS..EExtended strand (participates in β ladder)trans-143.5163177.366.30000110.8E11 K12 F14S4-E11 CarbonylContact O-C 3.53Å; S4-K12 PolarHBondContact N-O 2.79Å; S4-K12 WeakPolarHBondContact O-CA 3.37Å; S4-K12 WeakPolarHBondContact O-CB 3.37Å; S4-K12 PolarHBondContact O-N 2.91Å; S4-F14 VanDerWaalsContact OG-CE2 3.26Å; S4-F14 WeakPolarHBondContact OG-CE2 3.47Å; S4-F14 VanDerWaalsContact OG-CZ 3.22Å; S4-F14 WeakPolarHBondContact OG-CZ 3.48Å
5M73.9Confident74.9Confident104 Ų10478.1 Ų78.151%0.51237%0.369SS..EExtended strand (participates in β ladder)trans-99.5131.7173.5-61.2-172.189.300111.1N9M5-N9 WeakPolarHBondContact CE-OD1 3.37Å
6S69.9Low75.8Confident26 Ų2680.3 Ų80.318%0.18238%0.384CS..  trans-69.5169172.369.90000112.3R8 N9 R10S6-R8 PolarHBondContact O-N 2.73Å; S6-N9 PolarHBondContact O-N 3.44Å; S6-N9 VanDerWaalsContact O-N 3.1Å; S6-R10 VanDerWaalsContact CB-O 3.29Å; S6-R10 WeakPolarHBondContact CB-O 3.42Å; S6-R10 PolarHBondContact N-O 3.29Å; S6-R10 WeakPolarHBondContact OG-CA 3.38Å; S6-R10 VanDerWaalsContact OG-CB 3.31Å; S6-R10 WeakPolarHBondContact OG-CB 3.24Å; S6-R10 PolarHBondContact OG-N 3.43Å; S6-R10 PolarHBondContact OG-O 3.01Å
7E62.3Low76.7Confident118 Ų11876.8 Ų76.855%0.55137%0.374SS*.THydrogen-bonded Turntrans-62.8-22.1176.7-63.9-179.881.600113.2R79E7-R79 IonicContact OE1-NH2 3.8Å; E7-R79 IonicContact OE2-CZ 3.75Å; E7-R79 IonicContact OE2-NH1 3.76Å; E7-R79 IonicContact OE2-NH2 2.89Å; E7-R79 PolarHBondContact OE2-NH2 3.07Å
8R65.8Low77.7Confident212 Ų21275.3 Ų75.380%0.836%0.364SS*.THydrogen-bonded Turntrans-100.226.8176-60.9-174.4-177.8-178.70.3112.5S6 R10S6-R8 PolarHBondContact O-N 2.73Å; R8-R10 PolarHBondContact O-N 3.21Å
9N68.6Low78.5Confident124 Ų12472.8 Ų72.866%0.66335%0.352SS*.SBendtrans57.719.7179.5-142.637.8000115.3M5 S6M5-N9 WeakPolarHBondContact CE-OD1 3.37Å; S6-N9 PolarHBondContact O-N 3.44Å; S6-N9 VanDerWaalsContact O-N 3.1Å
10R76.4Confident79.3Confident134 Ų13469.2 Ų69.251%0.50633%0.334SS..  trans-86.7129.9172.5-57.1-172.7176.1-175.2-3110.2S6 R8S6-R10 VanDerWaalsContact CB-O 3.29Å; S6-R10 WeakPolarHBondContact CB-O 3.42Å; S6-R10 PolarHBondContact N-O 3.29Å; S6-R10 WeakPolarHBondContact OG-CA 3.38Å; S6-R10 VanDerWaalsContact OG-CB 3.31Å; S6-R10 WeakPolarHBondContact OG-CB 3.24Å; S6-R10 PolarHBondContact OG-N 3.43Å; S6-R10 PolarHBondContact OG-O 3.01Å; R8-R10 PolarHBondContact O-N 3.21Å
11E86Confident80Confident50 Ų5066.6 Ų66.623%0.23432%0.323CS..EExtended strand (participates in β ladder)trans-59140.5170.4-92.3-176.583.300111.4S4 F22 K32 W34S4-E11 CarbonylContact O-C 3.53Å; E11-F22 HydrophobicContact CB-CB 3.99Å; E11-F22 PolarHBondContact O-N 3.44Å; E11-K32 IonicContact OE1-NZ 3.19Å; E11-K32 PolarHBondContact OE1-NZ 2.95Å; E11-K32 IonicContact OE2-NZ 3.3Å; E11-K32 PolarHBondContact OE2-NZ 3.39Å; E11-W34 HydrophobicContact CB-CH2 4.11Å; E11-W34 HydrophobicContact CB-CZ3 3.9Å
12K89.9Confident81.7Confident38 Ų3861.9 Ų61.917%0.16530%0.298CS..EExtended strand (participates in β ladder)trans-120.9139.2173.3-65.8-167.7160.3-137.20109.3H3 S4 F14 M19 Y20 T21 D37H3-K12 CarbonylContact C-O 3.52Å; H3-K12 WeakPolarHBondContact CA-O 3.48Å; H3-K12 WeakPolarHBondContact CB-O 3.35Å; S4-K12 PolarHBondContact N-O 2.79Å; S4-K12 WeakPolarHBondContact O-CA 3.37Å; S4-K12 WeakPolarHBondContact O-CB 3.37Å; S4-K12 PolarHBondContact O-N 2.91Å; K12-F14 HydrophobicContact CB-CZ 4.43Å; K12-M19 HydrophobicContact CD-CG 4.36Å; K12-M19 HydrophobicContact CD-SD 3.67Å; K12-M19 PolarHBondContact NZ-SD 3.13Å; K12-Y20 CarbonylContact C-O 3.51Å; K12-Y20 WeakPolarHBondContact CA-O 3.3Å; K12-T21 HydrophobicContact CG-CG2 4.45Å; K12-D37 IonicContact NZ-OD1 2.83Å; K12-D37 PolarHBondContact NZ-OD1 3.11Å
13F91.2Very high83.2Confident0 Ų062 Ų620%029%0.293CS..EExtended strand (participates in β ladder)trans-121.7138.5177.1-169-92.4000109.4M1 H15 Y20 W34 I48 T50 V57M1-F13 HydrophobicContact SD-CZ 4Å; F13-H15 HydrophobicContact CD1-CB 4.09Å; F13-H15 HydrophobicContact CE1-CB 3.81Å; F13-Y20 PolarHBondContact N-O 3.13Å; F13-Y20 PolarHBondContact O-N 3.14Å; F13-W34 HydrophobicContact CB-CD2 3.87Å; F13-W34 HydrophobicContact CB-CE3 3.63Å; F13-W34 HydrophobicContact CB-CH2 4.03Å; F13-W34 HydrophobicContact CB-CZ2 4.22Å; F13-W34 HydrophobicContact CB-CZ3 3.73Å; F13-W34 HydrophobicContact CD2-CH2 4.38Å; F13-W34 HydrophobicContact CD2-CZ2 4.07Å; F13-W34 HydrophobicContact CG-CD2 4.45Å; F13-W34 HydrophobicContact CG-CZ2 4.41Å; F13-I48 HydrophobicContact CD1-CD1 3.36Å; F13-I48 HydrophobicContact CE1-CD1 3.66Å; F13-I48 HydrophobicContact CG-CD1 4.34Å; F13-T50 HydrophobicContact CD1-CG2 4.37Å; F13-T50 HydrophobicContact CD2-CG2 4.33Å; F13-T50 HydrophobicContact CE1-CG2 3.82Å; F13-T50 HydrophobicContact CE2-CG2 3.82Å; F13-T50 HydrophobicContact CZ-CG2 3.53Å; F13-V57 HydrophobicContact CE1-CG2 3.61Å; F13-V57 HydrophobicContact CZ-CG2 3.98Å
14F91.2Very high84.4Confident14 Ų1462.4 Ų62.46%0.06129%0.293CS..EExtended strand (participates in β ladder)trans-115.3124.4-179.3-54.2-71.7000110.4A2 S4 K12 Y18 M19 I73 A76A2-F14 HydrophobicContact CB-CD2 3.86Å; A2-F14 WeakPolarHBondContact O-CD2 3.44Å; A2-F14 PolarHBondContact O-N 3.3Å; A2-F14 VanDerWaalsContact O-N 3.14Å; S4-F14 VanDerWaalsContact OG-CE2 3.26Å; S4-F14 WeakPolarHBondContact OG-CE2 3.47Å; S4-F14 VanDerWaalsContact OG-CZ 3.22Å; S4-F14 WeakPolarHBondContact OG-CZ 3.48Å; K12-F14 HydrophobicContact CB-CZ 4.43Å; F14-Y18 WeakPolarHBondContact CA-O 3.15Å; F14-M19 HydrophobicContact CD1-CB 4.11Å; F14-M19 HydrophobicContact CD1-CE 4.36Å; F14-M19 HydrophobicContact CD1-CG 3.78Å; F14-M19 HydrophobicContact CE1-CB 4.23Å; F14-M19 HydrophobicContact CE1-CE 3.62Å; F14-M19 HydrophobicContact CE1-CG 3.52Å; F14-M19 HydrophobicContact CE1-SD 3.75Å; F14-I73 HydrophobicContact CB-CD1 4.32Å; F14-I73 HydrophobicContact CB-CG2 3.91Å; F14-I73 HydrophobicContact CD1-CB 4.19Å; F14-I73 HydrophobicContact CD1-CD1 4.27Å; F14-I73 HydrophobicContact CD1-CG1 3.79Å; F14-I73 HydrophobicContact CD1-CG2 3.73Å; F14-I73 HydrophobicContact CD2-CG2 4.37Å; F14-I73 HydrophobicContact CE1-CG1 4.4Å; F14-I73 HydrophobicContact CE1-CG2 4.31Å; F14-I73 HydrophobicContact CG-CG2 3.76Å; F14-A76 HydrophobicContact CE1-CB 3.92Å; F14-A76 HydrophobicContact CZ-CB 3.63Å
15H91.4Very high85.7Confident28 Ų2865.8 Ų65.813%0.1331%0.306CS..EExtended strand (participates in β ladder)trans-149.3131.4-179.1-172.468000110.9F13 G17 Y18 Y20 I48 V57F13-H15 HydrophobicContact CD1-CB 4.09Å; F13-H15 HydrophobicContact CE1-CB 3.81Å; H15-G17 VanDerWaalsContact C-N 3.3Å; H15-G17 PolarHBondContact O-N 3.11Å; H15-Y18 PolarHBondContact N-O 3.28Å; H15-Y18 WeakPolarHBondContact O-CA 3.15Å; H15-Y18 WeakPolarHBondContact O-CB 3.33Å; H15-Y18 PolarHBondContact O-N 3.4Å; H15-Y20 HydrophobicContact CB-CE2 3.95Å; H15-I48 HydrophobicContact CB-CD1 4.28Å; H15-V57 HydrophobicContact CB-CG2 4.4Å
16N89.2Confident86.7Confident113 Ų11362.1 Ų62.160%0.60429%0.289SS*.THydrogen-bonded Turntrans48.842175.4-60.6-10.6000115.2Y18N16-Y18 HydrophobicContact CB-CD2 4.39Å; N16-Y18 WeakPolarHBondContact O-CD2 3.27Å; N16-Y18 VanDerWaalsContact O-CE2 3.23Å; N16-Y18 WeakPolarHBondContact O-CE2 3.38Å; N16-Y18 PolarHBondContact O-N 2.91Å
17G90.8Very high87.8Confident21 Ų2171.7 Ų71.722%0.21632%0.323CS..THydrogen-bonded Turntrans80.30.8-178.800000114.4H15 G68 D69H15-G17 VanDerWaalsContact C-N 3.3Å; H15-G17 PolarHBondContact O-N 3.11Å; G17-G68 CarbonylContact O-C 3.57Å; G17-G68 WeakPolarHBondContact O-CA 3.47Å; G17-D69 PolarHBondContact O-N 3.11Å
18Y94Very high89.3Confident50 Ų5070 Ų7020%0.19632%0.324CS..EExtended strand (participates in β ladder)trans-110.4151.7178.1-57.2-78.6000112.5F14 H15 N16 H64 H66 G68F14-Y18 WeakPolarHBondContact CA-O 3.15Å; H15-Y18 PolarHBondContact N-O 3.28Å; H15-Y18 WeakPolarHBondContact O-CA 3.15Å; H15-Y18 WeakPolarHBondContact O-CB 3.33Å; H15-Y18 PolarHBondContact O-N 3.4Å; N16-Y18 HydrophobicContact CB-CD2 4.39Å; N16-Y18 WeakPolarHBondContact O-CD2 3.27Å; N16-Y18 VanDerWaalsContact O-CE2 3.23Å; N16-Y18 WeakPolarHBondContact O-CE2 3.38Å; N16-Y18 PolarHBondContact O-N 2.91Å; Y18-H64 HydrophobicContact CD1-CB 4.33Å; Y18-H64 AromaticContact CD1-CD2 3.84Å; Y18-H64 AromaticContact CD1-CE1 3.54Å; Y18-H64 AromaticContact CD1-CG 3.62Å; Y18-H64 AromaticContact CD1-ND1 3.43Å; Y18-H64 WeakPolarHBondContact CD1-ND1 3.48Å; Y18-H64 AromaticContact CD1-NE2 3.83Å; Y18-H64 AromaticContact CD2-CD2 3.79Å; Y18-H64 AromaticContact CD2-NE2 3.85Å; Y18-H64 HydrophobicContact CE1-CB 3.71Å; Y18-H64 AromaticContact CE1-CD2 3.9Å; Y18-H64 AromaticContact CE1-CG 3.48Å; Y18-H64 VanDerWaalsContact CE1-CG 3.48Å; Y18-H64 AromaticContact CE1-ND1 3.71Å; Y18-H64 AromaticContact CE2-CD2 3.89Å; Y18-H64 AromaticContact CG-CD2 3.78Å; Y18-H64 AromaticContact CG-CE1 3.62Å; Y18-H64 AromaticContact CG-ND1 3.96Å; Y18-H64 AromaticContact CG-NE2 3.53Å; Y18-H64 AromaticContact CZ-CD2 3.95Å; Y18-H64 AromaticContact CZ-CG 3.85Å; Y18-H66 AromaticContact CD1-CE1 3.66Å; Y18-H66 AromaticContact CE1-CE1 3.85Å; Y18-H66 AromaticContact CE1-ND1 3.98Å; Y18-H66 WeakPolarHBondContact CE1-O 3.47Å; Y18-H66 PolarHBondContact OH-O 3.38Å; Y18-G68 PolarHBondContact OH-N 3.04Å
19M93Very high90.6Very high27 Ų2767.3 Ų67.313%0.13332%0.318CS..EExtended strand (participates in β ladder)trans-110.9132.4175.9-170.2180-42.200109.5K12 F14 D37 A76K12-M19 HydrophobicContact CD-CG 4.36Å; K12-M19 HydrophobicContact CD-SD 3.67Å; K12-M19 PolarHBondContact NZ-SD 3.13Å; F14-M19 HydrophobicContact CD1-CB 4.11Å; F14-M19 HydrophobicContact CD1-CE 4.36Å; F14-M19 HydrophobicContact CD1-CG 3.78Å; F14-M19 HydrophobicContact CE1-CB 4.23Å; F14-M19 HydrophobicContact CE1-CE 3.62Å; F14-M19 HydrophobicContact CE1-CG 3.52Å; F14-M19 HydrophobicContact CE1-SD 3.75Å; M19-D37 HydrophobicContact CB-CB 4.14Å; M19-D37 HydrophobicContact CG-CB 4.13Å; M19-D37 WeakPolarHBondContact O-CB 3.45Å; M19-D37 PolarHBondContact O-N 3.42Å; M19-D37 HydrophobicContact SD-CB 4.42Å; M19-A76 HydrophobicContact CE-CB 4.15Å
20Y94.2Very high91.9Very high0 Ų064.8 Ų64.80%031%0.307CS..EExtended strand (participates in β ladder)trans-121.2149.9177.7-53.5-99.5000109.9K12 F13 H15 W34 R35 C36 I48 H64K12-Y20 CarbonylContact C-O 3.51Å; K12-Y20 WeakPolarHBondContact CA-O 3.3Å; F13-Y20 PolarHBondContact N-O 3.13Å; F13-Y20 PolarHBondContact O-N 3.14Å; H15-Y20 HydrophobicContact CB-CE2 3.95Å; Y20-W34 HydrophobicContact CG-CB 4.39Å; Y20-R35 CarbonylContact C-O 3.53Å; Y20-R35 VanDerWaalsContact CA-O 3.26Å; Y20-R35 WeakPolarHBondContact CA-O 3.33Å; Y20-C36 HydrophobicContact CD1-CB 4.48Å; Y20-I48 HydrophobicContact CD1-CD1 4.07Å; Y20-I48 HydrophobicContact CD1-CG1 3.79Å; Y20-I48 HydrophobicContact CD1-CG2 4.43Å; Y20-I48 HydrophobicContact CD2-CD1 3.51Å; Y20-I48 HydrophobicContact CD2-CG1 4.17Å; Y20-I48 HydrophobicContact CE1-CB 4.42Å; Y20-I48 HydrophobicContact CE1-CD1 4.26Å; Y20-I48 HydrophobicContact CE1-CG1 4Å; Y20-I48 HydrophobicContact CE1-CG2 3.76Å; Y20-I48 HydrophobicContact CE2-CD1 3.71Å; Y20-I48 HydrophobicContact CE2-CG1 4.35Å; Y20-I48 HydrophobicContact CE2-CG2 4.38Å; Y20-I48 HydrophobicContact CG-CD1 3.7Å; Y20-I48 HydrophobicContact CG-CG1 3.89Å; Y20-H64 AromaticContact CE1-CE1 3.85Å; Y20-H64 AromaticContact CE1-NE2 3.59Å; Y20-H64 AromaticContact CZ-CE1 3.89Å; Y20-H64 AromaticContact CZ-NE2 3.38Å; Y20-H64 PolarHBondContact OH-NE2 3.23Å
21T93.8Very high92.8Very high15 Ų1560.4 Ų60.49%0.09229%0.294CS..EExtended strand (participates in β ladder)trans-111.6140.7172.655.80000109.2K12 D23 R35 D37 R39K12-T21 HydrophobicContact CG-CG2 4.45Å; T21-D23 PolarHBondContact O-N 3.01Å; T21-R35 PolarHBondContact N-O 3.35Å; T21-R35 PolarHBondContact O-N 2.74Å; T21-R35 PolarHBondContact OG1-O 3.23Å; T21-D37 HydrophobicContact CG2-CB 4.25Å; T21-R39 PolarHBondContact OG1-NH1 3.07Å
22F94Very high93.3Very high53 Ų5359.4 Ų59.423%0.23229%0.288CS..EExtended strand (participates in β ladder)trans-56.1136.3175.6178.3-106.6000110.9E11 K24 F25 K32 W34E11-F22 HydrophobicContact CB-CB 3.99Å; E11-F22 PolarHBondContact O-N 3.44Å; F22-K24 WeakPolarHBondContact CE2-O 3.47Å; F22-K24 VanDerWaalsContact CZ-CA 3.41Å; F22-F25 HydrophobicContact CE1-CE2 4.41Å; F22-F25 HydrophobicContact CE2-CD1 4.3Å; F22-F25 HydrophobicContact CE2-CD2 4.4Å; F22-F25 HydrophobicContact CE2-CE1 4.21Å; F22-F25 HydrophobicContact CE2-CE2 4.26Å; F22-F25 HydrophobicContact CE2-CG 4.43Å; F22-F25 HydrophobicContact CE2-CZ 4.17Å; F22-F25 HydrophobicContact CZ-CD1 4.4Å; F22-F25 AromaticContact CZ-CD2 3.71Å; F22-F25 HydrophobicContact CZ-CD2 3.71Å; F22-F25 HydrophobicContact CZ-CE1 4.34Å; F22-F25 AromaticContact CZ-CE2 3.59Å; F22-F25 HydrophobicContact CZ-CE2 3.59Å; F22-F25 HydrophobicContact CZ-CG 4.13Å; F22-F25 AromaticContact CZ-CZ 3.93Å; F22-F25 HydrophobicContact CZ-CZ 3.93Å; F22-K32 HydrophobicContact CD2-CB 4.28Å; F22-K32 HydrophobicContact CD2-CD 4.31Å; F22-K32 HydrophobicContact CD2-CG 4.29Å; F22-K32 HydrophobicContact CE2-CB 4.11Å; F22-K32 HydrophobicContact CE2-CD 4.28Å; F22-K32 HydrophobicContact CE2-CG 3.9Å; F22-W34 VanDerWaalsContact CA-CE3 3.47Å; F22-W34 HydrophobicContact CB-CE3 3.91Å; F22-W34 HydrophobicContact CB-CH2 4.43Å; F22-W34 HydrophobicContact CB-CZ3 3.68Å; F22-W34 HydrophobicContact CD2-CH2 4.48Å; F22-W34 HydrophobicContact CD2-CZ3 4.4Å
23D94.3Very high93.7Very high48 Ų4859.9 Ų59.926%0.25729%0.29SS..EExtended strand (participates in β ladder)trans-107.5-64.6176.1-169.545.5000110.4T21 F33 R35T21-D23 PolarHBondContact O-N 3.01Å; D23-F33 WeakPolarHBondContact CB-O 3.27Å; D23-F33 PolarHBondContact N-O 3.39Å; D23-R35 HydrophobicContact CB-CG 4.08Å; D23-R35 IonicContact OD1-CZ 3.18Å; D23-R35 IonicContact OD1-NE 2.8Å; D23-R35 PolarHBondContact OD1-NE 2.67Å; D23-R35 IonicContact OD1-NH2 2.77Å; D23-R35 PolarHBondContact OD1-NH2 2.97Å; D23-R35 IonicContact OD2-CZ 2.83Å; D23-R35 IonicContact OD2-NE 3.36Å; D23-R35 PolarHBondContact OD2-NE 3.24Å; D23-R35 IonicContact OD2-NH2 2.81Å; D23-R35 PolarHBondContact OD2-NH2 3.35Å
24K94.2Very high93.9Very high122 Ų12259.9 Ų59.953%0.5329%0.291SS..EExtended strand (participates in β ladder)trans-166.1172.8-178.664.9-176.3-177170.20110.9F22 F33F22-K24 WeakPolarHBondContact CE2-O 3.47Å; F22-K24 VanDerWaalsContact CZ-CA 3.41Å; K24-F33 HydrophobicContact CG-CB 4.46Å; K24-F33 HydrophobicContact CG-CD2 3.89Å; K24-F33 WeakPolarHBondContact O-CA 3.46Å; K24-F33 WeakPolarHBondContact O-CB 3.45Å; K24-F33 PolarHBondContact O-N 3.22Å
25F95.1Very high94.2Very high84 Ų8463 Ų6337%0.36830%0.302SS..EExtended strand (participates in β ladder)trans-86.7162.2168.9-65.1-75000111.6F22 K29 I31 K32 I52F22-F25 HydrophobicContact CE1-CE2 4.41Å; F22-F25 HydrophobicContact CE2-CD1 4.3Å; F22-F25 HydrophobicContact CE2-CD2 4.4Å; F22-F25 HydrophobicContact CE2-CE1 4.21Å; F22-F25 HydrophobicContact CE2-CE2 4.26Å; F22-F25 HydrophobicContact CE2-CG 4.43Å; F22-F25 HydrophobicContact CE2-CZ 4.17Å; F22-F25 HydrophobicContact CZ-CD1 4.4Å; F22-F25 AromaticContact CZ-CD2 3.71Å; F22-F25 HydrophobicContact CZ-CD2 3.71Å; F22-F25 HydrophobicContact CZ-CE1 4.34Å; F22-F25 AromaticContact CZ-CE2 3.59Å; F22-F25 HydrophobicContact CZ-CE2 3.59Å; F22-F25 HydrophobicContact CZ-CG 4.13Å; F22-F25 AromaticContact CZ-CZ 3.93Å; F22-F25 HydrophobicContact CZ-CZ 3.93Å; F25-K29 HydrophobicContact CB-CG 4.4Å; F25-I31 WeakPolarHBondContact CA-O 3.49Å; F25-K32 HydrophobicContact CD1-CG 3.73Å; F25-K32 HydrophobicContact CE1-CD 4.03Å; F25-K32 HydrophobicContact CE1-CG 3.37Å; F25-K32 HydrophobicContact CZ-CG 4.31Å; F25-I52 HydrophobicContact CD1-CD1 3.56Å; F25-I52 HydrophobicContact CD1-CG1 4.43Å; F25-I52 HydrophobicContact CE1-CD1 3.45Å; F25-I52 VanDerWaalsContact CE1-CD1 3.45Å; F25-I52 HydrophobicContact CE1-CG1 4.14Å
26D95.2Very high94.4Very high28 Ų2861.6 Ų61.615%0.1530%0.295CS..  trans-69.6174.115980.8-56.9000111.4S28 K29 T30 I31 F33D26-S28 VanDerWaalsContact C-N 3.31Å; D26-S28 PolarHBondContact O-N 3.34Å; D26-S28 WeakPolarHBondContact OD2-CB 3.45Å; D26-S28 PolarHBondContact OD2-N 2.66Å; D26-K29 PolarHBondContact O-N 2.85Å; D26-K29 WeakPolarHBondContact OD1-CA 3.34Å; D26-K29 PolarHBondContact OD1-N 2.92Å; D26-K29 VanDerWaalsContact OD1-N 3.1Å; D26-T30 PolarHBondContact OD1-N 3.3Å; D26-I31 HydrophobicContact CB-CB 3.99Å; D26-I31 PolarHBondContact N-O 3.3Å; D26-I31 PolarHBondContact OD1-N 3.26Å; D26-F33 HydrophobicContact CB-CE2 3.83Å; D26-F33 HydrophobicContact CB-CZ 3.66Å
27Y93.7Very high94.6Very high226 Ų22658.5 Ų58.589%0.88628%0.279SS*.THydrogen-bonded Turntrans-60.2-41.9-178.2179.2-99.6000112.3K29Y27-K29 PolarHBondContact O-N 3.24Å
28S94Very high94.8Very high82 Ų8260.4 Ų60.457%0.57328%0.281SS*.THydrogen-bonded Turntrans-82.1-2-176.5-57.10000113.3D26 T30D26-S28 VanDerWaalsContact C-N 3.31Å; D26-S28 PolarHBondContact O-N 3.34Å; D26-S28 WeakPolarHBondContact OD2-CB 3.45Å; D26-S28 PolarHBondContact OD2-N 2.66Å; S28-T30 PolarHBondContact O-N 3.32Å
29K93Very high94.8Very high156 Ų15659.9 Ų59.968%0.67828%0.279SS*.SBendtrans50.944-175.8-56.6-179.8-177.2175.90112.4F25 D26 Y27 I52F25-K29 HydrophobicContact CB-CG 4.4Å; D26-K29 PolarHBondContact O-N 2.85Å; D26-K29 WeakPolarHBondContact OD1-CA 3.34Å; D26-K29 PolarHBondContact OD1-N 2.92Å; D26-K29 VanDerWaalsContact OD1-N 3.1Å; Y27-K29 PolarHBondContact O-N 3.24Å; K29-I52 WeakPolarHBondContact O-CD1 3.33Å
30T95.2Very high94.9Very high72 Ų7267.3 Ų67.344%0.44231%0.306SS..SBendtrans-112.6-16.1173.5570000111.1D26 S28 I52D26-T30 PolarHBondContact OD1-N 3.3Å; S28-T30 PolarHBondContact O-N 3.32Å; T30-I52 PolarHBondContact O-N 3.3Å
31I96.1Very high94.8Very high42 Ų4271 Ų7122%0.21534%0.337CS..EExtended strand (participates in β ladder)trans-126.1132.3-176.3-57.9171.7000109.8F25 D26 F33 H49 T50 I58F25-I31 WeakPolarHBondContact CA-O 3.49Å; D26-I31 HydrophobicContact CB-CB 3.99Å; D26-I31 PolarHBondContact N-O 3.3Å; D26-I31 PolarHBondContact OD1-N 3.26Å; I31-F33 HydrophobicContact CG2-CD1 3.94Å; I31-F33 HydrophobicContact CG2-CE1 3.66Å; I31-F33 HydrophobicContact CG2-CZ 4.44Å; I31-H49 HydrophobicContact CG2-CB 3.78Å; I31-T50 CarbonylContact C-O 3.6Å; I31-T50 VanDerWaalsContact CA-O 3.29Å; I31-T50 WeakPolarHBondContact CA-O 3.45Å; I31-I58 HydrophobicContact CD1-CD1 3.71Å; I31-I58 HydrophobicContact CG1-CD1 3.72Å; I31-I58 HydrophobicContact CG2-CD1 4.04Å
32K96.1Very high94.9Very high29 Ų2974.9 Ų74.913%0.12636%0.357CS..EExtended strand (participates in β ladder)trans-93.4130166.5-73-177.2178.9-171.80109.8E11 F22 F25 W34 H49 T50 I52E11-K32 IonicContact OE1-NZ 3.19Å; E11-K32 PolarHBondContact OE1-NZ 2.95Å; E11-K32 IonicContact OE2-NZ 3.3Å; E11-K32 PolarHBondContact OE2-NZ 3.39Å; F22-K32 HydrophobicContact CD2-CB 4.28Å; F22-K32 HydrophobicContact CD2-CD 4.31Å; F22-K32 HydrophobicContact CD2-CG 4.29Å; F22-K32 HydrophobicContact CE2-CB 4.11Å; F22-K32 HydrophobicContact CE2-CD 4.28Å; F22-K32 HydrophobicContact CE2-CG 3.9Å; F25-K32 HydrophobicContact CD1-CG 3.73Å; F25-K32 HydrophobicContact CE1-CD 4.03Å; F25-K32 HydrophobicContact CE1-CG 3.37Å; F25-K32 HydrophobicContact CZ-CG 4.31Å; K32-W34 HydrophobicContact CB-CZ2 3.74Å; K32-W34 HydrophobicContact CD-CH2 3.95Å; K32-W34 HydrophobicContact CD-CZ2 3.42Å; K32-W34 VanDerWaalsContact CD-CZ2 3.42Å; K32-W34 HydrophobicContact CG-CZ2 4.19Å; K32-W34 VanDerWaalsContact O-CD1 3.23Å; K32-W34 PolarHBondContact O-NE1 3.03Å; K32-H49 CarbonylContact O-C 3.56Å; K32-H49 WeakPolarHBondContact O-CA 3.44Å; K32-T50 PolarHBondContact N-O 2.92Å; K32-T50 PolarHBondContact O-N 3.21Å; K32-I52 HydrophobicContact CD-CG1 4.41Å; K32-I52 HydrophobicContact CG-CD1 4.33Å; K32-I52 HydrophobicContact CG-CG1 3.81Å
33F96.8Very high94.9Very high47 Ų4774.7 Ų74.721%0.20637%0.37CS..EExtended strand (participates in β ladder)trans-95.1134.7169.7-59.3-43.4000110.7D23 K24 D26 I31 H49D23-F33 WeakPolarHBondContact CB-O 3.27Å; D23-F33 PolarHBondContact N-O 3.39Å; K24-F33 HydrophobicContact CG-CB 4.46Å; K24-F33 HydrophobicContact CG-CD2 3.89Å; K24-F33 WeakPolarHBondContact O-CA 3.46Å; K24-F33 WeakPolarHBondContact O-CB 3.45Å; K24-F33 PolarHBondContact O-N 3.22Å; D26-F33 HydrophobicContact CB-CE2 3.83Å; D26-F33 HydrophobicContact CB-CZ 3.66Å; I31-F33 HydrophobicContact CG2-CD1 3.94Å; I31-F33 HydrophobicContact CG2-CE1 3.66Å; I31-F33 HydrophobicContact CG2-CZ 4.44Å; F33-H49 HydrophobicContact CD1-CB 4.09Å; F33-H49 AromaticContact CD1-CD2 3.23Å; F33-H49 WeakPolarHBondContact CD1-CD2 3.47Å; F33-H49 AromaticContact CD1-CE1 3.89Å; F33-H49 AromaticContact CD1-CG 3.49Å; F33-H49 VanDerWaalsContact CD1-CG 3.49Å; F33-H49 AromaticContact CD1-ND1 3.88Å; F33-H49 AromaticContact CD1-NE2 3.52Å; F33-H49 HydrophobicContact CE1-CB 4.28Å; F33-H49 AromaticContact CE1-CD2 3.71Å; F33-H49 AromaticContact CE1-CE1 3.59Å; F33-H49 AromaticContact CE1-CG 3.61Å; F33-H49 AromaticContact CE1-ND1 3.53Å; F33-H49 AromaticContact CE1-NE2 3.7Å
34W97.1Very high95.1Very high1 Ų172.7 Ų72.70%0.00436%0.359CS..EExtended strand (participates in β ladder)trans-127.8146.2-177.8-45.783.8000110.4E11 F13 Y20 F22 K32 R47 I48 T50E11-W34 HydrophobicContact CB-CH2 4.11Å; E11-W34 HydrophobicContact CB-CZ3 3.9Å; F13-W34 HydrophobicContact CB-CD2 3.87Å; F13-W34 HydrophobicContact CB-CE3 3.63Å; F13-W34 HydrophobicContact CB-CH2 4.03Å; F13-W34 HydrophobicContact CB-CZ2 4.22Å; F13-W34 HydrophobicContact CB-CZ3 3.73Å; F13-W34 HydrophobicContact CD2-CH2 4.38Å; F13-W34 HydrophobicContact CD2-CZ2 4.07Å; F13-W34 HydrophobicContact CG-CD2 4.45Å; F13-W34 HydrophobicContact CG-CZ2 4.41Å; Y20-W34 HydrophobicContact CG-CB 4.39Å; F22-W34 VanDerWaalsContact CA-CE3 3.47Å; F22-W34 HydrophobicContact CB-CE3 3.91Å; F22-W34 HydrophobicContact CB-CH2 4.43Å; F22-W34 HydrophobicContact CB-CZ3 3.68Å; F22-W34 HydrophobicContact CD2-CH2 4.48Å; F22-W34 HydrophobicContact CD2-CZ3 4.4Å; K32-W34 HydrophobicContact CB-CZ2 3.74Å; K32-W34 HydrophobicContact CD-CH2 3.95Å; K32-W34 HydrophobicContact CD-CZ2 3.42Å; K32-W34 VanDerWaalsContact CD-CZ2 3.42Å; K32-W34 HydrophobicContact CG-CZ2 4.19Å; K32-W34 VanDerWaalsContact O-CD1 3.23Å; K32-W34 PolarHBondContact O-NE1 3.03Å; W34-R47 VanDerWaalsContact O-CA 3.24Å; W34-R47 WeakPolarHBondContact O-CA 3.11Å; W34-R47 WeakPolarHBondContact O-CB 3.39Å; W34-I48 HydrophobicContact CB-CD1 4.36Å; W34-I48 HydrophobicContact CB-CG1 3.66Å; W34-I48 VanDerWaalsContact CD1-O 3.32Å; W34-I48 HydrophobicContact CG-CD1 4.4Å; W34-I48 HydrophobicContact CG-CG1 3.97Å; W34-I48 PolarHBondContact N-O 2.97Å; W34-I48 PolarHBondContact O-N 2.97Å; W34-I48 VanDerWaalsContact O-N 3.14Å; W34-T50 PolarHBondContact NE1-OG1 3.19Å
35R97Very high95.2Very high78 Ų7874.5 Ų74.529%0.29437%0.367SS..EExtended strand (participates in β ladder)trans-120.4147.3173.7-62.4-175.9-170.8-173.713109.7Y20 T21 D23 D37 R47Y20-R35 CarbonylContact C-O 3.53Å; Y20-R35 VanDerWaalsContact CA-O 3.26Å; Y20-R35 WeakPolarHBondContact CA-O 3.33Å; T21-R35 PolarHBondContact N-O 3.35Å; T21-R35 PolarHBondContact O-N 2.74Å; T21-R35 PolarHBondContact OG1-O 3.23Å; D23-R35 HydrophobicContact CB-CG 4.08Å; D23-R35 IonicContact OD1-CZ 3.18Å; D23-R35 IonicContact OD1-NE 2.8Å; D23-R35 PolarHBondContact OD1-NE 2.67Å; D23-R35 IonicContact OD1-NH2 2.77Å; D23-R35 PolarHBondContact OD1-NH2 2.97Å; D23-R35 IonicContact OD2-CZ 2.83Å; D23-R35 IonicContact OD2-NE 3.36Å; D23-R35 PolarHBondContact OD2-NE 3.24Å; D23-R35 IonicContact OD2-NH2 2.81Å; D23-R35 PolarHBondContact OD2-NH2 3.35Å; R35-D37 PolarHBondContact O-N 3.19Å; R35-R47 HydrophobicContact CG-CG 4.37Å
36C96.4Very high95.3Very high0 Ų070.6 Ų70.60%035%0.35CS..EExtended strand (participates in β ladder)trans-52.4136.5174.7-176.40000112Y20 K38 R39 C44 A46 H64 H66Y20-C36 HydrophobicContact CD1-CB 4.48Å; C36-K38 PolarHBondContact O-N 2.9Å; C36-K38 PolarHBondContact SG-N 2.97Å; C36-R39 WeakPolarHBondContact O-CB 3.47Å; C36-R39 WeakPolarHBondContact O-CG 3.45Å; C36-R39 PolarHBondContact O-N 2.92Å; C36-C44 HydrophobicContact CB-CB 4.25Å; C36-A46 HydrophobicContact CB-CB 4.37Å; C36-A46 PolarHBondContact N-O 2.92Å; C36-A46 VanDerWaalsContact N-O 3.08Å; C36-H64 VanDerWaalsContact SG-CE1 3.56Å; C36-H66 PolarHBondContact SG-NE2 2.93Å
37D92.7Very high95.5Very high47 Ų4774.4 Ų74.425%0.25136%0.363SS..THydrogen-bonded Turntrans-62.3-24.6175.718085.2000111.9K12 M19 T21 R35 R39K12-D37 IonicContact NZ-OD1 2.83Å; K12-D37 PolarHBondContact NZ-OD1 3.11Å; M19-D37 HydrophobicContact CB-CB 4.14Å; M19-D37 HydrophobicContact CG-CB 4.13Å; M19-D37 WeakPolarHBondContact O-CB 3.45Å; M19-D37 PolarHBondContact O-N 3.42Å; M19-D37 HydrophobicContact SD-CB 4.42Å; T21-D37 HydrophobicContact CG2-CB 4.25Å; R35-D37 PolarHBondContact O-N 3.19Å; D37-R39 VanDerWaalsContact C-N 3.34Å; D37-R39 PolarHBondContact O-N 3.24Å
38K93.9Very high95.7Very high61 Ų6163.7 Ų63.727%0.26532%0.32SS..THydrogen-bonded Turntrans-87.98.7178.1-57-55.7-176.4-164.10114.6C36 Y40 A41 L42 C44C36-K38 PolarHBondContact O-N 2.9Å; C36-K38 PolarHBondContact SG-N 2.97Å; K38-Y40 PolarHBondContact O-N 3.49Å; K38-Y40 VanDerWaalsContact O-N 3.15Å; K38-A41 PolarHBondContact O-N 3.3Å; K38-L42 HydrophobicContact CB-CB 4.3Å; K38-L42 HydrophobicContact CB-CD1 4.07Å; K38-L42 HydrophobicContact CB-CG 4.28Å; K38-L42 HydrophobicContact CG-CD1 4.25Å; K38-L42 PolarHBondContact O-N 2.89Å; K38-C44 HydrophobicContact CB-CB 4.48Å
39R94.7Very high95.8Very high40 Ų4061.5 Ų61.515%0.15130%0.301CS..THydrogen-bonded Turntrans-55.7-34.3-178.972.2-168-165.2-156.810.5114.6T21 C36 D37 G43 C44T21-R39 PolarHBondContact OG1-NH1 3.07Å; C36-R39 WeakPolarHBondContact O-CB 3.47Å; C36-R39 WeakPolarHBondContact O-CG 3.45Å; C36-R39 PolarHBondContact O-N 2.92Å; D37-R39 VanDerWaalsContact C-N 3.34Å; D37-R39 PolarHBondContact O-N 3.24Å; R39-G43 CarbonylContact O-C 3.5Å; R39-G43 WeakPolarHBondContact O-CA 3.33Å; R39-G43 PolarHBondContact O-N 3.41Å; R39-C44 VanDerWaalsContact CA-O 3.24Å; R39-C44 WeakPolarHBondContact CA-O 3.47Å; R39-C44 WeakPolarHBondContact CB-O 3.4Å
40Y94.6Very high96Very high182 Ų18254 Ų5471%0.71427%0.269SS*.THydrogen-bonded Turntrans-89-39.6179.3-62-64.5000112.2K38K38-Y40 PolarHBondContact O-N 3.49Å; K38-Y40 VanDerWaalsContact O-N 3.15Å
41A93.7Very high96Very high77 Ų7751.7 Ų51.764%0.63626%0.255SS*.THydrogen-bonded Turntrans-73.5-36-176.600000112.8K38K38-A41 PolarHBondContact O-N 3.3Å
42L94.2Very high95.8Very high98 Ų9852.9 Ų52.951%0.51326%0.261SS..SBendtrans-126.512.6-172.9-59.2179000112.7K38 C44 H66K38-L42 HydrophobicContact CB-CB 4.3Å; K38-L42 HydrophobicContact CB-CD1 4.07Å; K38-L42 HydrophobicContact CB-CG 4.28Å; K38-L42 HydrophobicContact CG-CD1 4.25Å; K38-L42 PolarHBondContact O-N 2.89Å; L42-C44 PolarHBondContact O-N 3.19Å; L42-H66 HydrophobicContact CD1-CB 3.63Å
43G95.7Very high95.6Very high49 Ų4957.8 Ų57.851%0.50529%0.293SS..  trans61.915.6-177.800000114.6R39 K45R39-G43 CarbonylContact O-C 3.5Å; R39-G43 WeakPolarHBondContact O-CA 3.33Å; R39-G43 PolarHBondContact O-N 3.41Å; G43-K45 PolarHBondContact O-N 3.01Å
44C97.4Very high95.3Very high5 Ų559 Ų593%0.03430%0.304CS..  trans-64.1128.8-172.6-173.60000112.2C36 K38 R39 L42 H64 H66C36-C44 HydrophobicContact CB-CB 4.25Å; K38-C44 HydrophobicContact CB-CB 4.48Å; R39-C44 VanDerWaalsContact CA-O 3.24Å; R39-C44 WeakPolarHBondContact CA-O 3.47Å; R39-C44 WeakPolarHBondContact CB-O 3.4Å; L42-C44 PolarHBondContact O-N 3.19Å; C44-H64 PolarHBondContact SG-ND1 2.9Å; C44-H66 PolarHBondContact SG-NE2 3.47Å
45K97.2Very high95Very high161 Ų16161 Ų6170%0.732%0.316SS*.  trans-103.95.7-178-61.9-178-176.5174.60114G43 N62G43-K45 PolarHBondContact O-N 3.01Å; K45-N62 PolarHBondContact O-ND2 3.38Å
46A97.9Very high94.9Very high1 Ų162.4 Ų62.41%0.00833%0.326CS..  trans-63.2138.9178.700000112C36 H64C36-A46 HydrophobicContact CB-CB 4.37Å; C36-A46 PolarHBondContact N-O 2.92Å; C36-A46 VanDerWaalsContact N-O 3.08Å; A46-H64 VanDerWaalsContact CB-CE1 3.42Å; A46-H64 WeakPolarHBondContact CB-CE1 3.44Å; A46-H64 WeakPolarHBondContact CB-NE2 3.31Å
47R97.8Very high94.8Very high109 Ų10964.1 Ų64.141%0.41134%0.336SS..EExtended strand (participates in β ladder)trans-136.7152.7178.3-49.1-177.7179.7178.30109.9W34 R35 V61W34-R47 VanDerWaalsContact O-CA 3.24Å; W34-R47 WeakPolarHBondContact O-CA 3.11Å; W34-R47 WeakPolarHBondContact O-CB 3.39Å; R35-R47 HydrophobicContact CG-CG 4.37Å; R47-V61 HydrophobicContact CB-CB 4.2Å; R47-V61 PolarHBondContact N-O 3.49Å; R47-V61 PolarHBondContact O-N 2.87Å
48I97.5Very high95Very high0 Ų066.2 Ų66.20%035%0.346CS..EExtended strand (participates in β ladder)trans-133153.6168.760.1172.5000109F13 H15 Y20 W34 T50 V57 N59 Q60F13-I48 HydrophobicContact CD1-CD1 3.36Å; F13-I48 HydrophobicContact CE1-CD1 3.66Å; F13-I48 HydrophobicContact CG-CD1 4.34Å; H15-I48 HydrophobicContact CB-CD1 4.28Å; Y20-I48 HydrophobicContact CD1-CD1 4.07Å; Y20-I48 HydrophobicContact CD1-CG1 3.79Å; Y20-I48 HydrophobicContact CD1-CG2 4.43Å; Y20-I48 HydrophobicContact CD2-CD1 3.51Å; Y20-I48 HydrophobicContact CD2-CG1 4.17Å; Y20-I48 HydrophobicContact CE1-CB 4.42Å; Y20-I48 HydrophobicContact CE1-CD1 4.26Å; Y20-I48 HydrophobicContact CE1-CG1 4Å; Y20-I48 HydrophobicContact CE1-CG2 3.76Å; Y20-I48 HydrophobicContact CE2-CD1 3.71Å; Y20-I48 HydrophobicContact CE2-CG1 4.35Å; Y20-I48 HydrophobicContact CE2-CG2 4.38Å; Y20-I48 HydrophobicContact CG-CD1 3.7Å; Y20-I48 HydrophobicContact CG-CG1 3.89Å; W34-I48 HydrophobicContact CB-CD1 4.36Å; W34-I48 HydrophobicContact CB-CG1 3.66Å; W34-I48 VanDerWaalsContact CD1-O 3.32Å; W34-I48 HydrophobicContact CG-CD1 4.4Å; W34-I48 HydrophobicContact CG-CG1 3.97Å; W34-I48 PolarHBondContact N-O 2.97Å; W34-I48 PolarHBondContact O-N 2.97Å; W34-I48 VanDerWaalsContact O-N 3.14Å; I48-T50 HydrophobicContact CD1-CG2 4.49Å; I48-V57 HydrophobicContact CB-CG1 4.18Å; I48-V57 HydrophobicContact CD1-CG2 4.13Å; I48-V57 HydrophobicContact CG2-CG1 4.33Å; I48-N59 CarbonylContact C-O 3.54Å; I48-N59 WeakPolarHBondContact CA-O 3.25Å; I48-Q60 HydrophobicContact CG2-CB 4.18Å; I48-Q60 HydrophobicContact CG2-CG 4.02Å
49H97.1Very high95.1Very high36 Ų3667.1 Ų67.117%0.16735%0.354CS..EExtended strand (participates in β ladder)trans-116.5132.4174.5-54.9174.6000107.4I31 K32 F33 V57 I58 N59I31-H49 HydrophobicContact CG2-CB 3.78Å; K32-H49 CarbonylContact O-C 3.56Å; K32-H49 WeakPolarHBondContact O-CA 3.44Å; F33-H49 HydrophobicContact CD1-CB 4.09Å; F33-H49 AromaticContact CD1-CD2 3.23Å; F33-H49 WeakPolarHBondContact CD1-CD2 3.47Å; F33-H49 AromaticContact CD1-CE1 3.89Å; F33-H49 AromaticContact CD1-CG 3.49Å; F33-H49 VanDerWaalsContact CD1-CG 3.49Å; F33-H49 AromaticContact CD1-ND1 3.88Å; F33-H49 AromaticContact CD1-NE2 3.52Å; F33-H49 HydrophobicContact CE1-CB 4.28Å; F33-H49 AromaticContact CE1-CD2 3.71Å; F33-H49 AromaticContact CE1-CE1 3.59Å; F33-H49 AromaticContact CE1-CG 3.61Å; F33-H49 AromaticContact CE1-ND1 3.53Å; F33-H49 AromaticContact CE1-NE2 3.7Å; H49-V57 WeakPolarHBondContact O-CA 3.43Å; H49-I58 HydrophobicContact CB-CD1 4.47Å; H49-I58 HydrophobicContact CB-CG1 4.01Å; H49-I58 WeakPolarHBondContact O-CG1 3.33Å; H49-I58 PolarHBondContact O-N 2.93Å; H49-N59 HydrophobicContact CB-CB 4.02Å; H49-N59 PolarHBondContact N-O 3.33Å; H49-N59 PolarHBondContact O-N 3.39Å
50T96.6Very high95.2Very high0 Ų069 Ų690%036%0.364CS..EExtended strand (participates in β ladder)trans-120145.2174.867.70000111.7F13 I31 K32 W34 I48 E56 V57F13-T50 HydrophobicContact CD1-CG2 4.37Å; F13-T50 HydrophobicContact CD2-CG2 4.33Å; F13-T50 HydrophobicContact CE1-CG2 3.82Å; F13-T50 HydrophobicContact CE2-CG2 3.82Å; F13-T50 HydrophobicContact CZ-CG2 3.53Å; I31-T50 CarbonylContact C-O 3.6Å; I31-T50 VanDerWaalsContact CA-O 3.29Å; I31-T50 WeakPolarHBondContact CA-O 3.45Å; K32-T50 PolarHBondContact N-O 2.92Å; K32-T50 PolarHBondContact O-N 3.21Å; W34-T50 PolarHBondContact NE1-OG1 3.19Å; I48-T50 HydrophobicContact CD1-CG2 4.49Å; T50-E56 CarbonylContact C-O 3.56Å; T50-E56 WeakPolarHBondContact CA-O 3.49Å; T50-E56 VanDerWaalsContact CB-O 3.27Å; T50-E56 WeakPolarHBondContact CB-O 3.22Å; T50-V57 HydrophobicContact CG2-CG2 3.93Å
51S95.2Very high95.3Very high22 Ų2262.5 Ų62.515%0.15434%0.344CS..EExtended strand (participates in β ladder)trans-65.4135.8167.8172.30000109.5V53 T54 N55 E56S51-V53 VanDerWaalsContact C-N 3.31Å; S51-V53 PolarHBondContact OG-N 3.48Å; S51-T54 WeakPolarHBondContact CB-OG1 3.31Å; S51-T54 PolarHBondContact OG-N 2.7Å; S51-T54 PolarHBondContact OG-OG1 3.29Å; S51-N55 WeakPolarHBondContact O-CA 3.37Å; S51-N55 PolarHBondContact O-N 2.86Å; S51-E56 PolarHBondContact N-O 3.06Å
52I91.8Very high95.4Very high67 Ų6763.1 Ų63.134%0.34434%0.336SS..THydrogen-bonded Turntrans-69.9-34172.5-72.3170.7000111.1F25 K29 T30 K32F25-I52 HydrophobicContact CD1-CD1 3.56Å; F25-I52 HydrophobicContact CD1-CG1 4.43Å; F25-I52 HydrophobicContact CE1-CD1 3.45Å; F25-I52 VanDerWaalsContact CE1-CD1 3.45Å; F25-I52 HydrophobicContact CE1-CG1 4.14Å; K29-I52 WeakPolarHBondContact O-CD1 3.33Å; T30-I52 PolarHBondContact O-N 3.3Å; K32-I52 HydrophobicContact CD-CG1 4.41Å; K32-I52 HydrophobicContact CG-CD1 4.33Å; K32-I52 HydrophobicContact CG-CG1 3.81Å
53V91.6Very high95.5Very high132 Ų13265 Ų6580%0.835%0.347SS*.THydrogen-bonded Turntrans-73.4-49.4-175.5179.30000110.7S51S51-V53 VanDerWaalsContact C-N 3.31Å; S51-V53 PolarHBondContact OG-N 3.48Å
54T92.1Very high95.6Very high72 Ų7264.1 Ų64.144%0.44233%0.329SS..THydrogen-bonded Turntrans-95.5-16.5-175.968.40000112.9S51 E56S51-T54 WeakPolarHBondContact CB-OG1 3.31Å; S51-T54 PolarHBondContact OG-N 2.7Å; S51-T54 PolarHBondContact OG-OG1 3.29Å; T54-E56 VanDerWaalsContact CB-OE2 3.32Å; T54-E56 WeakPolarHBondContact CB-OE2 3.29Å; T54-E56 PolarHBondContact O-N 3.01Å; T54-E56 WeakPolarHBondContact OG1-CB 3.43Å; T54-E56 PolarHBondContact OG1-N 3.03Å; T54-E56 PolarHBondContact OG1-OE2 3.2Å
55N90.6Very high95.4Very high45 Ų4567.9 Ų67.924%0.24136%0.356CS..  trans57.523.1-172.1-160.240.9000113.8S51S51-N55 WeakPolarHBondContact O-CA 3.37Å; S51-N55 PolarHBondContact O-N 2.86Å
56E93.9Very high95.4Very high107 Ų10761.8 Ų61.850%0.533%0.33SS..  trans-95.6151.2178.3-63.6173.9134.200111T50 S51 T54 I58T50-E56 CarbonylContact C-O 3.56Å; T50-E56 WeakPolarHBondContact CA-O 3.49Å; T50-E56 VanDerWaalsContact CB-O 3.27Å; T50-E56 WeakPolarHBondContact CB-O 3.22Å; S51-E56 PolarHBondContact N-O 3.06Å; T54-E56 VanDerWaalsContact CB-OE2 3.32Å; T54-E56 WeakPolarHBondContact CB-OE2 3.29Å; T54-E56 PolarHBondContact O-N 3.01Å; T54-E56 WeakPolarHBondContact OG1-CB 3.43Å; T54-E56 PolarHBondContact OG1-N 3.03Å; T54-E56 PolarHBondContact OG1-OE2 3.2Å; E56-I58 PolarHBondContact O-N 3.46Å
57V95.6Very high95.1Very high35 Ų3568.8 Ų68.821%0.21237%0.367CS..EExtended strand (participates in β ladder)trans-72.7116.5173.6-179.50000108.7F13 H15 I48 H49 T50F13-V57 HydrophobicContact CE1-CG2 3.61Å; F13-V57 HydrophobicContact CZ-CG2 3.98Å; H15-V57 HydrophobicContact CB-CG2 4.4Å; I48-V57 HydrophobicContact CB-CG1 4.18Å; I48-V57 HydrophobicContact CD1-CG2 4.13Å; I48-V57 HydrophobicContact CG2-CG1 4.33Å; H49-V57 WeakPolarHBondContact O-CA 3.43Å; T50-V57 HydrophobicContact CG2-CG2 3.93Å
58I96.2Very high94.8Very high92 Ų9265 Ų6547%0.47236%0.361SS..EExtended strand (participates in β ladder)trans-100.3-18.6178.859.3170.2000112.3I31 H49 E56I31-I58 HydrophobicContact CD1-CD1 3.71Å; I31-I58 HydrophobicContact CG1-CD1 3.72Å; I31-I58 HydrophobicContact CG2-CD1 4.04Å; H49-I58 HydrophobicContact CB-CD1 4.47Å; H49-I58 HydrophobicContact CB-CG1 4.01Å; H49-I58 WeakPolarHBondContact O-CG1 3.33Å; H49-I58 PolarHBondContact O-N 2.93Å; E56-I58 PolarHBondContact O-N 3.46Å
59N96.1Very high94.3Very high80 Ų8067.3 Ų67.343%0.42837%0.374SS..EExtended strand (participates in β ladder)trans-156.2148.1177.5-164.28000111.2I48 H49I48-N59 CarbonylContact C-O 3.54Å; I48-N59 WeakPolarHBondContact CA-O 3.25Å; H49-N59 HydrophobicContact CB-CB 4.02Å; H49-N59 PolarHBondContact N-O 3.33Å; H49-N59 PolarHBondContact O-N 3.39Å
60Q96.4Very high93.8Very high79 Ų7969.5 Ų69.537%0.36939%0.391SS..EExtended strand (participates in β ladder)trans-126.8130.1171.7179.8171.4-19.500108.9I48I48-Q60 HydrophobicContact CG2-CB 4.18Å; I48-Q60 HydrophobicContact CG2-CG 4.02Å
61V96.6Very high93.3Very high46 Ų4670.1 Ų70.128%0.27940%0.396SS..EExtended strand (participates in β ladder)trans-121.2123.3-176.5-175.30000109.4R47R47-V61 HydrophobicContact CB-CB 4.2Å; R47-V61 PolarHBondContact N-O 3.49Å; R47-V61 PolarHBondContact O-N 2.87Å
62N96.5Very high92.7Very high89 Ų8973.9 Ų73.948%0.47641%0.41SS..SBendtrans63.6151.2-172-48.4-45.2000114K45K45-N62 PolarHBondContact O-ND2 3.38Å
63D95.6Very high92.5Very high138 Ų13872.1 Ų72.174%0.73840%0.401SS*.  trans-79.6159.7171.6-61.6-50.5000112.2
64H97Very high92.3Very high31 Ų3170 Ų7014%0.14438%0.383CS..  trans-75135170.3-77.7-89.8000110.5Y18 Y20 C36 C44 A46 H66Y18-H64 HydrophobicContact CD1-CB 4.33Å; Y18-H64 AromaticContact CD1-CD2 3.84Å; Y18-H64 AromaticContact CD1-CE1 3.54Å; Y18-H64 AromaticContact CD1-CG 3.62Å; Y18-H64 AromaticContact CD1-ND1 3.43Å; Y18-H64 WeakPolarHBondContact CD1-ND1 3.48Å; Y18-H64 AromaticContact CD1-NE2 3.83Å; Y18-H64 AromaticContact CD2-CD2 3.79Å; Y18-H64 AromaticContact CD2-NE2 3.85Å; Y18-H64 HydrophobicContact CE1-CB 3.71Å; Y18-H64 AromaticContact CE1-CD2 3.9Å; Y18-H64 AromaticContact CE1-CG 3.48Å; Y18-H64 VanDerWaalsContact CE1-CG 3.48Å; Y18-H64 AromaticContact CE1-ND1 3.71Å; Y18-H64 AromaticContact CE2-CD2 3.89Å; Y18-H64 AromaticContact CG-CD2 3.78Å; Y18-H64 AromaticContact CG-CE1 3.62Å; Y18-H64 AromaticContact CG-ND1 3.96Å; Y18-H64 AromaticContact CG-NE2 3.53Å; Y18-H64 AromaticContact CZ-CD2 3.95Å; Y18-H64 AromaticContact CZ-CG 3.85Å; Y20-H64 AromaticContact CE1-CE1 3.85Å; Y20-H64 AromaticContact CE1-NE2 3.59Å; Y20-H64 AromaticContact CZ-CE1 3.89Å; Y20-H64 AromaticContact CZ-NE2 3.38Å; Y20-H64 PolarHBondContact OH-NE2 3.23Å; C36-H64 VanDerWaalsContact SG-CE1 3.56Å; C44-H64 PolarHBondContact SG-ND1 2.9Å; A46-H64 VanDerWaalsContact CB-CE1 3.42Å; A46-H64 WeakPolarHBondContact CB-CE1 3.44Å; A46-H64 WeakPolarHBondContact CB-NE2 3.31Å; H64-H66 AromaticContact ND1-CE1 3.56Å; H64-H66 AromaticContact ND1-NE2 3.23Å; H64-H66 PolarHBondContact ND1-NE2 3.1Å; H64-H66 PolarHBondContact O-N 2.83Å
65S95.2Very high92.2Very high84 Ų8467.5 Ų67.559%0.58737%0.367SS*.SBendtrans-86.815.3172.6580000113.1
66H95.1Very high92Very high33 Ų3366.3 Ų66.315%0.15336%0.364CS..SBendtrans-154.6159.6-176.464.284.7000109.8Y18 C36 L42 C44 H64Y18-H66 AromaticContact CD1-CE1 3.66Å; Y18-H66 AromaticContact CE1-CE1 3.85Å; Y18-H66 AromaticContact CE1-ND1 3.98Å; Y18-H66 WeakPolarHBondContact CE1-O 3.47Å; Y18-H66 PolarHBondContact OH-O 3.38Å; C36-H66 PolarHBondContact SG-NE2 2.93Å; L42-H66 HydrophobicContact CD1-CB 3.63Å; C44-H66 PolarHBondContact SG-NE2 3.47Å; H64-H66 AromaticContact ND1-CE1 3.56Å; H64-H66 AromaticContact ND1-NE2 3.23Å; H64-H66 PolarHBondContact ND1-NE2 3.1Å; H64-H66 PolarHBondContact O-N 2.83Å
67N93.3Very high91.7Very high147 Ų14763.5 Ų63.579%0.78636%0.359SS*.  trans-70.3152.9176.5-64.4-25.4000111.7
68G89.8Confident91.5Very high29 Ų2962.1 Ų62.130%0.29935%0.35SS..  trans-63.2158.8167.700000111.2G17 Y18G17-G68 CarbonylContact O-C 3.57Å; G17-G68 WeakPolarHBondContact O-CA 3.47Å; Y18-G68 PolarHBondContact OH-N 3.04Å
69D88.5Confident91.2Very high49 Ų4961.1 Ų61.126%0.26234%0.34SS..  trans-134.279.4177.9-168.7-24.6000109.3G17 A71 K72 I73G17-D69 PolarHBondContact O-N 3.11Å; D69-A71 PolarHBondContact O-N 3.32Å; D69-K72 HydrophobicContact CB-CB 4.11Å; D69-K72 HydrophobicContact CB-CG 4.43Å; D69-K72 VanDerWaalsContact CG-CG 3.48Å; D69-K72 PolarHBondContact O-N 3.19Å; D69-K72 WeakPolarHBondContact OD1-CB 3.42Å; D69-K72 PolarHBondContact OD1-N 3.34Å; D69-K72 WeakPolarHBondContact OD2-CD 3.22Å; D69-K72 WeakPolarHBondContact OD2-CE 3.31Å; D69-K72 WeakPolarHBondContact OD2-CG 3.49Å; D69-K72 IonicContact OD2-NZ 2.61Å; D69-K72 PolarHBondContact OD2-NZ 3.48Å; D69-I73 PolarHBondContact O-N 3.32Å
70P86Confident90.9Very high82 Ų8259 Ų5953%0.53233%0.334SS..Hα-helixtrans-56.9-38.4-179.5-24.234.2000112.1K72 I73 E74P70-K72 PolarHBondContact O-N 3.35Å; P70-I73 WeakPolarHBondContact O-CA 3.47Å; P70-I73 VanDerWaalsContact O-CB 3.31Å; P70-I73 WeakPolarHBondContact O-CB 3.34Å; P70-I73 PolarHBondContact O-N 2.98Å; P70-E74 PolarHBondContact O-N 3.46Å
71A85.2Confident90.6Very high13 Ų1356.8 Ų56.811%0.10732%0.324CS..Hα-helixtrans-65.3-40.2-178.900000111.9D69 I73 E74 V75 Q111D69-A71 PolarHBondContact O-N 3.32Å; A71-I73 PolarHBondContact O-N 3.14Å; A71-E74 PolarHBondContact O-N 2.91Å; A71-V75 WeakPolarHBondContact O-CG2 3.15Å; A71-V75 PolarHBondContact O-N 3.41Å; A71-Q111 VanDerWaalsContact CB-CD 3.44Å
72K84.6Confident90.5Very high101 Ų10154.6 Ų54.644%0.43931%0.311SS..Hα-helixtrans-61.5-31.1171.4-84.4-167.6-174.291.50113.4D69 P70 A76D69-K72 HydrophobicContact CB-CB 4.11Å; D69-K72 HydrophobicContact CB-CG 4.43Å; D69-K72 VanDerWaalsContact CG-CG 3.48Å; D69-K72 PolarHBondContact O-N 3.19Å; D69-K72 WeakPolarHBondContact OD1-CB 3.42Å; D69-K72 PolarHBondContact OD1-N 3.34Å; D69-K72 WeakPolarHBondContact OD2-CD 3.22Å; D69-K72 WeakPolarHBondContact OD2-CE 3.31Å; D69-K72 WeakPolarHBondContact OD2-CG 3.49Å; D69-K72 IonicContact OD2-NZ 2.61Å; D69-K72 PolarHBondContact OD2-NZ 3.48Å; P70-K72 PolarHBondContact O-N 3.35Å; K72-A76 WeakPolarHBondContact O-CB 3.45Å; K72-A76 PolarHBondContact O-N 2.94Å
73I86.3Confident90.2Very high30 Ų3052.5 Ų52.515%0.15430%0.298CS..Hα-helixtrans-67.4-46.5175.4-64.2178.3000109.8F14 D69 P70 A71 V75 A76 A77F14-I73 HydrophobicContact CB-CD1 4.32Å; F14-I73 HydrophobicContact CB-CG2 3.91Å; F14-I73 HydrophobicContact CD1-CB 4.19Å; F14-I73 HydrophobicContact CD1-CD1 4.27Å; F14-I73 HydrophobicContact CD1-CG1 3.79Å; F14-I73 HydrophobicContact CD1-CG2 3.73Å; F14-I73 HydrophobicContact CD2-CG2 4.37Å; F14-I73 HydrophobicContact CE1-CG1 4.4Å; F14-I73 HydrophobicContact CE1-CG2 4.31Å; F14-I73 HydrophobicContact CG-CG2 3.76Å; D69-I73 PolarHBondContact O-N 3.32Å; P70-I73 WeakPolarHBondContact O-CA 3.47Å; P70-I73 VanDerWaalsContact O-CB 3.31Å; P70-I73 WeakPolarHBondContact O-CB 3.34Å; P70-I73 PolarHBondContact O-N 2.98Å; A71-I73 PolarHBondContact O-N 3.14Å; I73-V75 PolarHBondContact O-N 2.97Å; I73-A76 WeakPolarHBondContact O-CB 3.26Å; I73-A76 PolarHBondContact O-N 3.39Å; I73-A76 VanDerWaalsContact O-N 3.13Å; I73-A77 PolarHBondContact O-N 2.98Å
74E88.3Confident90Very high89 Ų8951.4 Ų51.442%0.41628%0.283SS..Hα-helixtrans-63.2-41.7177-66.5-174.895.200111.9P70 A71 A76 A77 F78 V108P70-E74 PolarHBondContact O-N 3.46Å; A71-E74 PolarHBondContact O-N 2.91Å; E74-A76 VanDerWaalsContact C-N 3.29Å; E74-A76 PolarHBondContact O-N 2.87Å; E74-A77 PolarHBondContact O-N 3.03Å; E74-F78 WeakPolarHBondContact O-CB 3.22Å; E74-F78 PolarHBondContact O-N 3.28Å; E74-V108 HydrophobicContact CB-CB 4.41Å; E74-V108 HydrophobicContact CB-CG1 3.95Å; E74-V108 HydrophobicContact CB-CG2 3.48Å; E74-V108 VanDerWaalsContact CB-CG2 3.48Å; E74-V108 HydrophobicContact CG-CG2 4.05Å; E74-V108 VanDerWaalsContact OE2-CG2 3.22Å; E74-V108 WeakPolarHBondContact OE2-CG2 3.19Å
75V89.3Confident89.8Confident19 Ų1952 Ų5212%0.11528%0.284CS..Hα-helixtrans-61.3-38.4172.9173.50000111A71 I73 F78 R79 V108 Q111 L112A71-V75 WeakPolarHBondContact O-CG2 3.15Å; A71-V75 PolarHBondContact O-N 3.41Å; I73-V75 PolarHBondContact O-N 2.97Å; V75-F78 PolarHBondContact O-N 3.43Å; V75-R79 VanDerWaalsContact O-CG 3.31Å; V75-R79 WeakPolarHBondContact O-CG 3.14Å; V75-R79 PolarHBondContact O-N 3.47Å; V75-V108 HydrophobicContact CG2-CG1 4.02Å; V75-Q111 HydrophobicContact CG2-CB 3.98Å; V75-L112 HydrophobicContact CG1-CD2 4.45Å; V75-L112 HydrophobicContact CG2-CD2 4.4Å
76A86.7Confident89.8Confident20 Ų2048.1 Ų48.117%0.16526%0.257CS..Hα-helixtrans-67.6-40.9176.300000112.1F14 M19 K72 I73 E74 R79 A80F14-A76 HydrophobicContact CE1-CB 3.92Å; F14-A76 HydrophobicContact CZ-CB 3.63Å; M19-A76 HydrophobicContact CE-CB 4.15Å; K72-A76 WeakPolarHBondContact O-CB 3.45Å; K72-A76 PolarHBondContact O-N 2.94Å; I73-A76 WeakPolarHBondContact O-CB 3.26Å; I73-A76 PolarHBondContact O-N 3.39Å; I73-A76 VanDerWaalsContact O-N 3.13Å; E74-A76 VanDerWaalsContact C-N 3.29Å; E74-A76 PolarHBondContact O-N 2.87Å; A76-R79 PolarHBondContact O-N 3.31Å; A76-A80 PolarHBondContact O-N 3.33Å
77A87Confident89.6Confident48 Ų4848 Ų4840%0.39726%0.262SS..Hα-helixtrans-62.4-43.6173.600000111.5I73 E74 R79 A80 N81I73-A77 PolarHBondContact O-N 2.98Å; E74-A77 PolarHBondContact O-N 3.03Å; A77-R79 PolarHBondContact O-N 2.98Å; A77-A80 WeakPolarHBondContact O-CB 3.39Å; A77-A80 PolarHBondContact O-N 3.38Å; A77-N81 PolarHBondContact O-N 2.66Å
78F91.4Very high89.5Confident5 Ų547.1 Ų47.12%0.02225%0.253CS..Hα-helixtrans-57.1-49.5172.4171-92.2000111.6E74 V75 A80 N81 V82 A100 I104 L112 L118E74-F78 WeakPolarHBondContact O-CB 3.22Å; E74-F78 PolarHBondContact O-N 3.28Å; V75-F78 PolarHBondContact O-N 3.43Å; F78-A80 VanDerWaalsContact C-N 3.26Å; F78-A80 PolarHBondContact O-N 3.4Å; F78-N81 WeakPolarHBondContact O-CB 3.37Å; F78-N81 PolarHBondContact O-N 3.34Å; F78-N81 VanDerWaalsContact O-N 3.14Å; F78-V82 HydrophobicContact CD1-CG2 4.15Å; F78-V82 HydrophobicContact CE1-CG2 3.67Å; F78-V82 HydrophobicContact CE2-CG2 4.08Å; F78-V82 HydrophobicContact CZ-CG2 3.63Å; F78-V82 WeakPolarHBondContact O-CG2 3.44Å; F78-V82 PolarHBondContact O-N 3.01Å; F78-A100 HydrophobicContact CD2-CB 4.11Å; F78-A100 HydrophobicContact CE2-CB 3.52Å; F78-A100 HydrophobicContact CZ-CB 4.16Å; F78-I104 HydrophobicContact CB-CG2 4.34Å; F78-I104 HydrophobicContact CD2-CD1 3.83Å; F78-I104 HydrophobicContact CD2-CG2 3.96Å; F78-I104 HydrophobicContact CE2-CD1 4.05Å; F78-L112 HydrophobicContact CB-CD2 4.4Å; F78-L112 HydrophobicContact CD1-CD2 3.38Å; F78-L112 HydrophobicContact CD2-CD2 4.34Å; F78-L112 HydrophobicContact CE1-CD1 4Å; F78-L112 HydrophobicContact CE1-CD2 3.61Å; F78-L112 HydrophobicContact CE1-CG 4.41Å; F78-L112 HydrophobicContact CE2-CD1 4.13Å; F78-L112 HydrophobicContact CE2-CD2 4.49Å; F78-L112 HydrophobicContact CG-CD2 3.79Å; F78-L112 HydrophobicContact CZ-CD1 3.79Å; F78-L112 HydrophobicContact CZ-CD2 4.17Å; F78-L118 HydrophobicContact CE1-CD1 3.93Å; F78-L118 HydrophobicContact CE1-CD2 3.84Å; F78-L118 HydrophobicContact CZ-CD1 4.08Å
79R91.2Very high89.7Confident72 Ų7247.8 Ų47.827%0.27225%0.252SS..Hα-helixtrans-61.1-36.6178-71.7178.283.1-161.8-1.5111.7E7 V75 A76 A77 K83E7-R79 IonicContact OE1-NH2 3.8Å; E7-R79 IonicContact OE2-CZ 3.75Å; E7-R79 IonicContact OE2-NH1 3.76Å; E7-R79 IonicContact OE2-NH2 2.89Å; E7-R79 PolarHBondContact OE2-NH2 3.07Å; V75-R79 VanDerWaalsContact O-CG 3.31Å; V75-R79 WeakPolarHBondContact O-CG 3.14Å; V75-R79 PolarHBondContact O-N 3.47Å; A76-R79 PolarHBondContact O-N 3.31Å; A77-R79 PolarHBondContact O-N 2.98Å; R79-K83 VanDerWaalsContact O-CG 3.31Å; R79-K83 WeakPolarHBondContact O-CG 3.45Å; R79-K83 PolarHBondContact O-N 3.24Å
80A88.3Confident89.8Confident36 Ų3654.7 Ų54.730%0.29828%0.282SS..Hα-helixtrans-64.9-44.9174.700000111.5A76 A77 F78 K83 R84A76-A80 PolarHBondContact O-N 3.33Å; A77-A80 WeakPolarHBondContact O-CB 3.39Å; A77-A80 PolarHBondContact O-N 3.38Å; F78-A80 VanDerWaalsContact C-N 3.26Å; F78-A80 PolarHBondContact O-N 3.4Å; A80-K83 PolarHBondContact O-N 3.27Å; A80-R84 WeakPolarHBondContact O-CB 3.44Å; A80-R84 PolarHBondContact O-N 2.93Å
81N91.2Very high90.2Very high31 Ų3153.3 Ų53.317%0.16627%0.271CS..Hα-helixtrans-60.2-46175.1-176.736.9000111.9A77 F78 K83 R84 R85A77-N81 PolarHBondContact O-N 2.66Å; F78-N81 WeakPolarHBondContact O-CB 3.37Å; F78-N81 PolarHBondContact O-N 3.34Å; F78-N81 VanDerWaalsContact O-N 3.14Å; N81-K83 VanDerWaalsContact C-N 3.34Å; N81-K83 PolarHBondContact O-N 3.23Å; N81-R84 PolarHBondContact O-N 3.31Å; N81-R84 PolarHBondContact OD1-NH2 3.3Å; N81-R85 WeakPolarHBondContact O-CG 3.42Å; N81-R85 PolarHBondContact O-N 3.33Å; N81-R85 PolarHBondContact OD1-NE 3.13Å
82V93.4Very high90.7Very high1 Ų156 Ų561%0.00629%0.286CS..Hα-helixtrans-58.7-44.7175.8169.50000111.5F78 A86 I96 A100 I122F78-V82 HydrophobicContact CD1-CG2 4.15Å; F78-V82 HydrophobicContact CE1-CG2 3.67Å; F78-V82 HydrophobicContact CE2-CG2 4.08Å; F78-V82 HydrophobicContact CZ-CG2 3.63Å; F78-V82 WeakPolarHBondContact O-CG2 3.44Å; F78-V82 PolarHBondContact O-N 3.01Å; V82-A86 VanDerWaalsContact O-CB 3.27Å; V82-A86 WeakPolarHBondContact O-CB 3.05Å; V82-A86 PolarHBondContact O-N 3.23Å; V82-I96 HydrophobicContact CG1-CG2 4.22Å; V82-A100 HydrophobicContact CG2-CB 3.71Å; V82-I122 HydrophobicContact CG1-CD1 3.91Å; V82-I122 HydrophobicContact CG1-CG1 3.59Å
83K91.6Very high91.2Very high45 Ų4553.3 Ų53.320%0.19628%0.279CS..Hα-helixtrans-64.2-40.2177.2-74.9175.2-178.2-177.90112.3R79 A80 N81 A86 A87 I121R79-K83 VanDerWaalsContact O-CG 3.31Å; R79-K83 WeakPolarHBondContact O-CG 3.45Å; R79-K83 PolarHBondContact O-N 3.24Å; A80-K83 PolarHBondContact O-N 3.27Å; N81-K83 VanDerWaalsContact C-N 3.34Å; N81-K83 PolarHBondContact O-N 3.23Å; K83-A86 PolarHBondContact O-N 3.14Å; K83-A87 PolarHBondContact O-N 2.99Å; K83-I121 HydrophobicContact CD-CG2 4.49Å; K83-I121 HydrophobicContact CG-CG2 3.71Å
84R91.2Very high91.6Very high115 Ų11554.8 Ų54.843%0.43430%0.295SS..Hα-helixtrans-62.7-52.1177.4-175.9-174.659.880.8-0.9110.6A80 N81 A86 A87 E88A80-R84 WeakPolarHBondContact O-CB 3.44Å; A80-R84 PolarHBondContact O-N 2.93Å; N81-R84 PolarHBondContact O-N 3.31Å; N81-R84 PolarHBondContact OD1-NH2 3.3Å; R84-A86 VanDerWaalsContact C-N 3.31Å; R84-A86 PolarHBondContact O-N 3.04Å; R84-A87 WeakPolarHBondContact O-CA 3.2Å; R84-A87 WeakPolarHBondContact O-CB 3.46Å; R84-A87 PolarHBondContact O-N 3.02Å; R84-E88 VanDerWaalsContact CG-CD 3.43Å; R84-E88 HydrophobicContact CG-CG 4.45Å; R84-E88 WeakPolarHBondContact CG-OE1 3.31Å; R84-E88 WeakPolarHBondContact CG-OE2 2.95Å; R84-E88 IonicContact CZ-OE2 3.76Å; R84-E88 IonicContact NH1-OE2 2.7Å; R84-E88 PolarHBondContact NH1-OE2 3.21Å; R84-E88 PolarHBondContact O-N 3.44Å
85R92.8Very high92Very high42 Ų4254.6 Ų54.616%0.15829%0.294CS..Hα-helixtrans-60.3-39176.4-68-174-172.3-153.26.7112.7N81 A87 E88 T89 I96 E99N81-R85 WeakPolarHBondContact O-CG 3.42Å; N81-R85 PolarHBondContact O-N 3.33Å; N81-R85 PolarHBondContact OD1-NE 3.13Å; R85-A87 PolarHBondContact O-N 2.96Å; R85-E88 PolarHBondContact O-N 3.25Å; R85-T89 WeakPolarHBondContact O-CB 3.32Å; R85-T89 PolarHBondContact O-N 3.21Å; R85-T89 PolarHBondContact O-OG1 2.84Å; R85-I96 HydrophobicContact CB-CG2 3.87Å; R85-E99 IonicContact CZ-OE2 3.93Å; R85-E99 IonicContact NH1-OE2 2.74Å; R85-E99 PolarHBondContact NH1-OE2 2.89Å
86A94Very high92.3Very high3 Ų353.7 Ų53.73%0.02529%0.289CS..Hα-helixtrans-60.8-28.117500000113.4V82 K83 R84 I96 I122 K125 R126V82-A86 VanDerWaalsContact O-CB 3.27Å; V82-A86 WeakPolarHBondContact O-CB 3.05Å; V82-A86 PolarHBondContact O-N 3.23Å; K83-A86 PolarHBondContact O-N 3.14Å; R84-A86 VanDerWaalsContact C-N 3.31Å; R84-A86 PolarHBondContact O-N 3.04Å; A86-I96 HydrophobicContact CB-CD1 4.45Å; A86-I122 HydrophobicContact CB-CB 4.21Å; A86-I122 HydrophobicContact CB-CG1 4.19Å; A86-I122 HydrophobicContact CB-CG2 3.83Å; A86-K125 HydrophobicContact CB-CB 4.25Å; A86-K125 HydrophobicContact CB-CG 4.21Å; A86-R126 WeakPolarHBondContact O-CG 3.46Å; A86-R126 PolarHBondContact O-NE 2.91Å
87A91.4Very high92.7Very high31 Ų3153.8 Ų53.826%0.25629%0.286SS..Hα-helixtrans-85.1-36177.900000112.9K83 R84 R85 K125 M129K83-A87 PolarHBondContact O-N 2.99Å; R84-A87 WeakPolarHBondContact O-CA 3.2Å; R84-A87 WeakPolarHBondContact O-CB 3.46Å; R84-A87 PolarHBondContact O-N 3.02Å; R85-A87 PolarHBondContact O-N 2.96Å; A87-K125 HydrophobicContact CB-CG 4.44Å; A87-M129 WeakPolarHBondContact CA-SD 3.29Å; A87-M129 HydrophobicContact CB-CE 4.12Å; A87-M129 HydrophobicContact CB-SD 3.39Å; A87-M129 WeakPolarHBondContact CB-SD 3.38Å
88E92.4Very high93Very high129 Ų12958.1 Ų58.160%0.60330%0.296SS*.Hα-helixtrans-96.2-14.2-171.3-68.2168.6-173.900113.5R84 R85R84-E88 VanDerWaalsContact CG-CD 3.43Å; R84-E88 HydrophobicContact CG-CG 4.45Å; R84-E88 WeakPolarHBondContact CG-OE1 3.31Å; R84-E88 WeakPolarHBondContact CG-OE2 2.95Å; R84-E88 IonicContact CZ-OE2 3.76Å; R84-E88 IonicContact NH1-OE2 2.7Å; R84-E88 PolarHBondContact NH1-OE2 3.21Å; R84-E88 PolarHBondContact O-N 3.44Å; R85-E88 PolarHBondContact O-N 3.25Å
89T93.3Very high93Very high43 Ų4360.8 Ų60.826%0.26431%0.308SS..  trans-129.2154.5-173.874.80000112.6R85 N91 R126R85-T89 WeakPolarHBondContact O-CB 3.32Å; R85-T89 PolarHBondContact O-N 3.21Å; R85-T89 PolarHBondContact O-OG1 2.84Å; T89-N91 WeakPolarHBondContact CB-OD1 3.44Å; T89-N91 PolarHBondContact OG1-OD1 2.99Å; T89-R126 PolarHBondContact O-NH2 2.61Å
90Q91.1Very high93.1Very high194 Ų19457.3 Ų57.391%0.90730%0.295SS*.  trans-94.14.7171.3-63.9-171300113.4
91N94.1Very high93.2Very high53 Ų5356.7 Ų56.728%0.28329%0.288SS..  trans-54.7151-180-64119.5000111.9T89 E95 I96 R126T89-N91 WeakPolarHBondContact CB-OD1 3.44Å; T89-N91 PolarHBondContact OG1-OD1 2.99Å; N91-E95 HydrophobicContact CB-CB 4.06Å; N91-I96 HydrophobicContact CB-CD1 4.32Å; N91-I96 HydrophobicContact CB-CG1 3.78Å; N91-R126 VanDerWaalsContact O-CZ 3.26Å; N91-R126 PolarHBondContact O-NH1 3.31Å; N91-R126 PolarHBondContact O-NH2 3.36Å
92T95.6Very high93.2Very high70 Ų7061.4 Ų61.443%0.42931%0.31SS..  trans-62.1154.2175.766.10000110.5A94 E95 I96T92-A94 PolarHBondContact O-N 3.1Å; T92-A94 VanDerWaalsContact O-N 3.13Å; T92-E95 WeakPolarHBondContact CB-OE2 3.32Å; T92-E95 WeakPolarHBondContact CG2-OE2 3.43Å; T92-E95 PolarHBondContact N-OE2 2.88Å; T92-E95 PolarHBondContact O-N 2.83Å; T92-E95 VanDerWaalsContact O-N 3.14Å; T92-E95 VanDerWaalsContact OG1-CD 3.25Å; T92-E95 VanDerWaalsContact OG1-CG 3.24Å; T92-E95 WeakPolarHBondContact OG1-CG 3.42Å; T92-E95 PolarHBondContact OG1-N 2.85Å; T92-E95 PolarHBondContact OG1-OE2 3.18Å; T92-I96 PolarHBondContact O-N 2.71Å
93P95.1Very high92.7Very high44 Ų4465.7 Ų65.729%0.28634%0.338SS..Hα-helixtrans-54.5-33.2175.9-28.936.5000113.7I97 K119 I122P93-I97 WeakPolarHBondContact O-CB 3.42Å; P93-I97 VanDerWaalsContact O-CD1 3.27Å; P93-I97 WeakPolarHBondContact O-CD1 3.07Å; P93-I97 WeakPolarHBondContact O-CG1 3.11Å; P93-I97 PolarHBondContact O-N 3.02Å; P93-I97 VanDerWaalsContact O-N 3.13Å; P93-K119 HydrophobicContact CB-CB 4.37Å; P93-K119 HydrophobicContact CB-CG 3.94Å; P93-I122 HydrophobicContact CB-CD1 3.94Å; P93-I122 HydrophobicContact CB-CG2 4.31Å; P93-I122 HydrophobicContact CG-CG2 4.15Å
94A95.3Very high92.5Very high60 Ų6065.3 Ų65.350%0.49634%0.338SS..Hα-helixtrans-68.1-44.8178.200000112T92 I97 K98T92-A94 PolarHBondContact O-N 3.1Å; T92-A94 VanDerWaalsContact O-N 3.13Å; A94-I97 PolarHBondContact O-N 2.88Å; A94-K98 WeakPolarHBondContact O-CB 3.38Å; A94-K98 PolarHBondContact O-N 3.1Å
95E95.9Very high92.4Very high85 Ų8562 Ų6240%0.39733%0.333SS..Hα-helixtrans-61.2-49176.3-71.8163.8145.400111.1N91 T92 I97 K98 E99N91-E95 HydrophobicContact CB-CB 4.06Å; T92-E95 WeakPolarHBondContact CB-OE2 3.32Å; T92-E95 WeakPolarHBondContact CG2-OE2 3.43Å; T92-E95 PolarHBondContact N-OE2 2.88Å; T92-E95 PolarHBondContact O-N 2.83Å; T92-E95 VanDerWaalsContact O-N 3.14Å; T92-E95 VanDerWaalsContact OG1-CD 3.25Å; T92-E95 VanDerWaalsContact OG1-CG 3.24Å; T92-E95 WeakPolarHBondContact OG1-CG 3.42Å; T92-E95 PolarHBondContact OG1-N 2.85Å; T92-E95 PolarHBondContact OG1-OE2 3.18Å; E95-I97 VanDerWaalsContact C-N 3.29Å; E95-I97 PolarHBondContact O-N 2.8Å; E95-K98 PolarHBondContact O-N 3.22Å; E95-K98 VanDerWaalsContact O-N 3.11Å; E95-E99 WeakPolarHBondContact O-CG 3.23Å; E95-E99 PolarHBondContact O-N 2.81Å
96I95.6Very high92.1Very high0 Ų064.7 Ų64.70%036%0.356CS..Hα-helixtrans-57.3-43.7178.3-66.5174.4000111.4V82 R85 A86 N91 T92 A100 I122V82-I96 HydrophobicContact CG1-CG2 4.22Å; R85-I96 HydrophobicContact CB-CG2 3.87Å; A86-I96 HydrophobicContact CB-CD1 4.45Å; N91-I96 HydrophobicContact CB-CD1 4.32Å; N91-I96 HydrophobicContact CB-CG1 3.78Å; T92-I96 PolarHBondContact O-N 2.71Å; I96-A100 WeakPolarHBondContact O-CB 3.39Å; I96-A100 PolarHBondContact O-N 3.02Å; I96-I122 HydrophobicContact CB-CD1 4.02Å; I96-I122 HydrophobicContact CD1-CG2 4.23Å; I96-I122 HydrophobicContact CG2-CD1 3.89Å; I96-I122 HydrophobicContact CG2-CG1 4.49Å
97I94.2Very high91.8Very high22 Ų2269.2 Ų69.211%0.11338%0.376CS..Hα-helixtrans-65.9-45.5178.7-69164.1000110.3P93 A94 E95 A100 C101 L118 K119 I122P93-I97 WeakPolarHBondContact O-CB 3.42Å; P93-I97 VanDerWaalsContact O-CD1 3.27Å; P93-I97 WeakPolarHBondContact O-CD1 3.07Å; P93-I97 WeakPolarHBondContact O-CG1 3.11Å; P93-I97 PolarHBondContact O-N 3.02Å; P93-I97 VanDerWaalsContact O-N 3.13Å; A94-I97 PolarHBondContact O-N 2.88Å; E95-I97 VanDerWaalsContact C-N 3.29Å; E95-I97 PolarHBondContact O-N 2.8Å; I97-A100 PolarHBondContact O-N 2.94Å; I97-C101 WeakPolarHBondContact O-CB 3.26Å; I97-C101 PolarHBondContact O-N 3.45Å; I97-C101 PolarHBondContact O-SG 3.03Å; I97-L118 HydrophobicContact CD1-CB 3.56Å; I97-L118 HydrophobicContact CD1-CD1 4.39Å; I97-L118 HydrophobicContact CG1-CB 3.92Å; I97-L118 HydrophobicContact CG1-CD1 4.27Å; I97-L118 HydrophobicContact CG2-CD1 3.98Å; I97-K119 HydrophobicContact CD1-CG 3.92Å; I97-I122 HydrophobicContact CD1-CD1 4.23Å; I97-I122 HydrophobicContact CG1-CD1 3.92Å
98K93.6Very high91.5Very high140 Ų14067.8 Ų67.861%0.60936%0.364SS*.Hα-helixtrans-58.2-55.6-179.5180-173.5172.1-170.60110.6A94 E95 A100 C101 E102A94-K98 WeakPolarHBondContact O-CB 3.38Å; A94-K98 PolarHBondContact O-N 3.1Å; E95-K98 PolarHBondContact O-N 3.22Å; E95-K98 VanDerWaalsContact O-N 3.11Å; K98-A100 VanDerWaalsContact C-N 3.32Å; K98-A100 PolarHBondContact O-N 2.83Å; K98-C101 WeakPolarHBondContact O-CA 3.33Å; K98-C101 WeakPolarHBondContact O-CB 3.46Å; K98-C101 PolarHBondContact O-N 3.43Å; K98-E102 PolarHBondContact O-N 2.91Å
99E92.7Very high91.4Very high60 Ų6067.6 Ų67.628%0.2836%0.361SS..Hα-helixtrans-66-34.2-178.2-59.3169.9177.600112.3R85 E95 C101 E102R85-E99 IonicContact CZ-OE2 3.93Å; R85-E99 IonicContact NH1-OE2 2.74Å; R85-E99 PolarHBondContact NH1-OE2 2.89Å; E95-E99 WeakPolarHBondContact O-CG 3.23Å; E95-E99 PolarHBondContact O-N 2.81Å; E99-C101 PolarHBondContact O-N 2.98Å; E99-E102 WeakPolarHBondContact O-CB 3.39Å; E99-E102 PolarHBondContact O-N 3.24Å
100A92.1Very high91.1Very high0 Ų075.2 Ų75.20%039%0.385CS..Hα-helixtrans-67.3-29.2173.700000112F78 V82 I96 I97 K98 E102F78-A100 HydrophobicContact CD2-CB 4.11Å; F78-A100 HydrophobicContact CE2-CB 3.52Å; F78-A100 HydrophobicContact CZ-CB 4.16Å; V82-A100 HydrophobicContact CG2-CB 3.71Å; I96-A100 WeakPolarHBondContact O-CB 3.39Å; I96-A100 PolarHBondContact O-N 3.02Å; I97-A100 PolarHBondContact O-N 2.94Å; K98-A100 VanDerWaalsContact C-N 3.32Å; K98-A100 PolarHBondContact O-N 2.83Å; A100-E102 VanDerWaalsContact C-N 3.32Å
101C91.7Very high91Very high22 Ų2269.8 Ų69.815%0.14936%0.36CS..Hα-helixtrans-75.3-20.1176-70.80000113I97 K98 E99 C103 I104I97-C101 WeakPolarHBondContact O-CB 3.26Å; I97-C101 PolarHBondContact O-N 3.45Å; I97-C101 PolarHBondContact O-SG 3.03Å; K98-C101 WeakPolarHBondContact O-CA 3.33Å; K98-C101 WeakPolarHBondContact O-CB 3.46Å; K98-C101 PolarHBondContact O-N 3.43Å; E99-C101 PolarHBondContact O-N 2.98Å; C101-C103 PolarHBondContact O-N 3.26Å; C101-I104 WeakPolarHBondContact O-CG1 3.27Å
102E90.4Very high90.8Very high131 Ų13168.7 Ų68.761%0.61235%0.354SS*.Hα-helixtrans-69.5-22.5176.4-69167.5179.900112K98 E99 A100K98-E102 PolarHBondContact O-N 2.91Å; E99-E102 WeakPolarHBondContact O-CB 3.39Å; E99-E102 PolarHBondContact O-N 3.24Å; A100-E102 VanDerWaalsContact C-N 3.32Å
103C83.5Confident90.3Very high90 Ų9067.5 Ų67.561%0.60835%0.347SS*.THydrogen-bonded Turntrans-95.87.8-177.9-54.20000114.6C101C101-C103 PolarHBondContact O-N 3.26Å
104I87.6Confident90.1Very high38 Ų3870.6 Ų70.620%0.19536%0.362CS..SBendtrans-126.3155.3-175.761.9168.7000112F78 C101 V108 K109 L112F78-I104 HydrophobicContact CB-CG2 4.34Å; F78-I104 HydrophobicContact CD2-CD1 3.83Å; F78-I104 HydrophobicContact CD2-CG2 3.96Å; F78-I104 HydrophobicContact CE2-CD1 4.05Å; C101-I104 WeakPolarHBondContact O-CG1 3.27Å; I104-V108 HydrophobicContact CB-CB 4.3Å; I104-V108 HydrophobicContact CB-CG1 4.23Å; I104-V108 HydrophobicContact CD1-CB 4.43Å; I104-V108 HydrophobicContact CD1-CG1 4.05Å; I104-V108 HydrophobicContact CG2-CG1 4.46Å; I104-K109 HydrophobicContact CD1-CB 4.2Å; I104-L112 HydrophobicContact CD1-CD1 3.76Å; I104-L112 HydrophobicContact CD1-CD2 4.28Å; I104-L112 HydrophobicContact CD1-CG 4.26Å
105S88.3Confident89.9Confident45 Ų4570.7 Ų70.732%0.31536%0.358SS..  trans-70157.2178.3740000112.2E107 V108 K109S105-E107 PolarHBondContact O-N 3.23Å; S105-V108 PolarHBondContact O-N 3.45Å; S105-V108 VanDerWaalsContact OG-CG2 3.3Å; S105-V108 WeakPolarHBondContact OG-CG2 3.32Å; S105-V108 PolarHBondContact OG-N 3.46Å; S105-K109 PolarHBondContact O-N 3.49Å
106P87.1Confident89.7Confident99 Ų9971.1 Ų71.164%0.64336%0.363SS*.Hα-helixtrans-57.6-31.6174.6-2534.5000113.4K109 R110P106-K109 WeakPolarHBondContact O-CB 3.4Å; P106-K109 PolarHBondContact O-N 2.75Å; P106-R110 WeakPolarHBondContact O-CG 3.16Å; P106-R110 PolarHBondContact O-N 3.41Å
107E86.2Confident89.6Confident98 Ų9872.7 Ų72.746%0.45838%0.376SS..Hα-helixtrans-67.4-47.1178.6-17852.1-147.300111.2S105 K109 R110 Q111S105-E107 PolarHBondContact O-N 3.23Å; E107-K109 VanDerWaalsContact C-N 3.26Å; E107-K109 PolarHBondContact O-N 2.88Å; E107-R110 PolarHBondContact O-N 2.82Å; E107-Q111 PolarHBondContact OE1-NE2 3.27Å
108V86.9Confident89.5Confident0 Ų071.8 Ų71.80%037%0.372CS..Hα-helixtrans-61.8-38.7174.8178.60000110.7E74 V75 I104 S105 R110 Q111 L112E74-V108 HydrophobicContact CB-CB 4.41Å; E74-V108 HydrophobicContact CB-CG1 3.95Å; E74-V108 HydrophobicContact CB-CG2 3.48Å; E74-V108 VanDerWaalsContact CB-CG2 3.48Å; E74-V108 HydrophobicContact CG-CG2 4.05Å; E74-V108 VanDerWaalsContact OE2-CG2 3.22Å; E74-V108 WeakPolarHBondContact OE2-CG2 3.19Å; V75-V108 HydrophobicContact CG2-CG1 4.02Å; I104-V108 HydrophobicContact CB-CB 4.3Å; I104-V108 HydrophobicContact CB-CG1 4.23Å; I104-V108 HydrophobicContact CD1-CB 4.43Å; I104-V108 HydrophobicContact CD1-CG1 4.05Å; I104-V108 HydrophobicContact CG2-CG1 4.46Å; S105-V108 PolarHBondContact O-N 3.45Å; S105-V108 VanDerWaalsContact OG-CG2 3.3Å; S105-V108 WeakPolarHBondContact OG-CG2 3.32Å; S105-V108 PolarHBondContact OG-N 3.46Å; V108-R110 VanDerWaalsContact C-N 3.26Å; V108-R110 PolarHBondContact O-N 3.47Å; V108-Q111 PolarHBondContact O-N 3.26Å; V108-L112 PolarHBondContact O-N 3.34Å
109K88.8Confident89.6Confident125 Ų12569.4 Ų69.454%0.54336%0.362SS..Hα-helixtrans-58.5-37.2179.3-165.2174.3-177.4176.90112.5I104 S105 P106 E107 Q111 L112I104-K109 HydrophobicContact CD1-CB 4.2Å; S105-K109 PolarHBondContact O-N 3.49Å; P106-K109 WeakPolarHBondContact O-CB 3.4Å; P106-K109 PolarHBondContact O-N 2.75Å; E107-K109 VanDerWaalsContact C-N 3.26Å; E107-K109 PolarHBondContact O-N 2.88Å; K109-Q111 VanDerWaalsContact C-N 3.26Å; K109-Q111 PolarHBondContact O-N 3.42Å; K109-L112 HydrophobicContact CG-CD1 4.27Å; K109-L112 WeakPolarHBondContact O-CB 3.29Å; K109-L112 PolarHBondContact O-N 2.82Å
110R87.4Confident89.6Confident203 Ų20372.9 Ų72.977%0.76638%0.376SS*.Hα-helixtrans-67.5-26.7177.1-68.1173.5-170.1-1721.4113.1P106 E107 V108P106-R110 WeakPolarHBondContact O-CG 3.16Å; P106-R110 PolarHBondContact O-N 3.41Å; E107-R110 PolarHBondContact O-N 2.82Å; V108-R110 VanDerWaalsContact C-N 3.26Å; V108-R110 PolarHBondContact O-N 3.47Å
111Q88.6Confident89.6Confident80 Ų8073.6 Ų73.637%0.37438%0.379SS..THydrogen-bonded Turntrans-93.81.5-178.6-57-170.632.100112.9A71 V75 E107 V108 K109A71-Q111 VanDerWaalsContact CB-CD 3.44Å; V75-Q111 HydrophobicContact CG2-CB 3.98Å; E107-Q111 PolarHBondContact OE1-NE2 3.27Å; V108-Q111 PolarHBondContact O-N 3.26Å; K109-Q111 VanDerWaalsContact C-N 3.26Å; K109-Q111 PolarHBondContact O-N 3.42Å
112L89.8Confident89.7Confident30 Ų3072.5 Ų72.516%0.15737%0.372CS..SBendtrans-66.2146.9176.8-67.8-176.2000111.3V75 F78 I104 V108 K109V75-L112 HydrophobicContact CG1-CD2 4.45Å; V75-L112 HydrophobicContact CG2-CD2 4.4Å; F78-L112 HydrophobicContact CB-CD2 4.4Å; F78-L112 HydrophobicContact CD1-CD2 3.38Å; F78-L112 HydrophobicContact CD2-CD2 4.34Å; F78-L112 HydrophobicContact CE1-CD1 4Å; F78-L112 HydrophobicContact CE1-CD2 3.61Å; F78-L112 HydrophobicContact CE1-CG 4.41Å; F78-L112 HydrophobicContact CE2-CD1 4.13Å; F78-L112 HydrophobicContact CE2-CD2 4.49Å; F78-L112 HydrophobicContact CG-CD2 3.79Å; F78-L112 HydrophobicContact CZ-CD1 3.79Å; F78-L112 HydrophobicContact CZ-CD2 4.17Å; I104-L112 HydrophobicContact CD1-CD1 3.76Å; I104-L112 HydrophobicContact CD1-CD2 4.28Å; I104-L112 HydrophobicContact CD1-CG 4.26Å; V108-L112 PolarHBondContact O-N 3.34Å; K109-L112 HydrophobicContact CG-CD1 4.27Å; K109-L112 WeakPolarHBondContact O-CB 3.29Å; K109-L112 PolarHBondContact O-N 2.82Å
113P86.3Confident89.9Confident45 Ų4574 Ų7429%0.29238%0.377SS..PPolyproline II helixtrans-55.1156163.3-20.431.6000111A117 L118P113-A117 HydrophobicContact CB-CB 3.88Å; P113-L118 HydrophobicContact CB-CD2 4.28Å; P113-L118 HydrophobicContact CG-CD2 4.2Å
114N91.3Very high90.3Very high110 Ų11077.6 Ų77.659%0.58838%0.377SS*.PPolyproline II helixtrans-56.5155.8173.166.435.4000112D116 A117 L118N114-D116 PolarHBondContact O-N 3.31Å; N114-A117 WeakPolarHBondContact O-CB 3.33Å; N114-A117 PolarHBondContact O-N 2.79Å; N114-A117 VanDerWaalsContact OD1-CB 3.25Å; N114-A117 WeakPolarHBondContact OD1-CB 3.24Å; N114-A117 PolarHBondContact OD1-N 3.26Å; N114-L118 PolarHBondContact O-N 3.45Å
115S89.5Confident90.4Very high61 Ų6179.3 Ų79.343%0.42738%0.384SS..Hα-helixtrans-57.6-35.6-174.359.90000112.6L118 K119S115-L118 WeakPolarHBondContact O-CB 3.24Å; S115-L118 PolarHBondContact O-N 3.02Å; S115-K119 WeakPolarHBondContact O-CG 3.19Å; S115-K119 PolarHBondContact O-N 3.44Å
116D92.9Very high90.6Very high94 Ų9479.8 Ų79.850%0.50338%0.378SS..Hα-helixtrans-65-40176.4-71.8-62.2000113.3N114 L118 K119 K120N114-D116 PolarHBondContact O-N 3.31Å; D116-L118 VanDerWaalsContact C-N 3.29Å; D116-L118 PolarHBondContact O-N 2.91Å; D116-K119 PolarHBondContact O-N 2.89Å; D116-K120 WeakPolarHBondContact O-CB 3.46Å; D116-K120 WeakPolarHBondContact O-CG 3.35Å; D116-K120 PolarHBondContact O-N 2.84Å
117A92.6Very high90.7Very high33 Ų3377.5 Ų77.527%0.27337%0.367SS..Hα-helixtrans-62.2-40.2173.600000111.1P113 N114 K120 I121P113-A117 HydrophobicContact CB-CB 3.88Å; N114-A117 WeakPolarHBondContact O-CB 3.33Å; N114-A117 PolarHBondContact O-N 2.79Å; N114-A117 VanDerWaalsContact OD1-CB 3.25Å; N114-A117 WeakPolarHBondContact OD1-CB 3.24Å; N114-A117 PolarHBondContact OD1-N 3.26Å; A117-K120 PolarHBondContact O-N 2.88Å; A117-I121 WeakPolarHBondContact O-CG1 3.37Å; A117-I121 PolarHBondContact O-N 3.48Å
118L93.2Very high90.7Very high4 Ų476.1 Ų76.12%0.02137%0.369CS..Hα-helixtrans-65.4-45.8176.1-61.9-178.9000111.9F78 I97 P113 N114 S115 D116 K120 I121 I122F78-L118 HydrophobicContact CE1-CD1 3.93Å; F78-L118 HydrophobicContact CE1-CD2 3.84Å; F78-L118 HydrophobicContact CZ-CD1 4.08Å; I97-L118 HydrophobicContact CD1-CB 3.56Å; I97-L118 HydrophobicContact CD1-CD1 4.39Å; I97-L118 HydrophobicContact CG1-CB 3.92Å; I97-L118 HydrophobicContact CG1-CD1 4.27Å; I97-L118 HydrophobicContact CG2-CD1 3.98Å; P113-L118 HydrophobicContact CB-CD2 4.28Å; P113-L118 HydrophobicContact CG-CD2 4.2Å; N114-L118 PolarHBondContact O-N 3.45Å; S115-L118 WeakPolarHBondContact O-CB 3.24Å; S115-L118 PolarHBondContact O-N 3.02Å; D116-L118 VanDerWaalsContact C-N 3.29Å; D116-L118 PolarHBondContact O-N 2.91Å; L118-K120 VanDerWaalsContact C-N 3.27Å; L118-K120 PolarHBondContact O-N 2.83Å; L118-I121 HydrophobicContact CD2-CD1 4.29Å; L118-I121 WeakPolarHBondContact O-CB 3.48Å; L118-I121 PolarHBondContact O-N 3.19Å; L118-I121 VanDerWaalsContact O-N 3.1Å; L118-I122 WeakPolarHBondContact O-CG1 3.23Å; L118-I122 PolarHBondContact O-N 2.79Å; L118-I122 VanDerWaalsContact O-N 3.11Å
119K94.6Very high90.5Very high90 Ų9081.3 Ų81.339%0.39139%0.394SS..Hα-helixtrans-57.5-41.3174.2-70.2174.5-176.3173.60111.5P93 I97 S115 D116 I121 I122 K123P93-K119 HydrophobicContact CB-CB 4.37Å; P93-K119 HydrophobicContact CB-CG 3.94Å; I97-K119 HydrophobicContact CD1-CG 3.92Å; S115-K119 WeakPolarHBondContact O-CG 3.19Å; S115-K119 PolarHBondContact O-N 3.44Å; D116-K119 PolarHBondContact O-N 2.89Å; K119-I121 PolarHBondContact O-N 2.83Å; K119-I122 PolarHBondContact O-N 3.3Å; K119-K123 PolarHBondContact O-N 3.04Å
120K94.2Very high90Very high133 Ų13383 Ų8358%0.57840%0.404SS*.Hα-helixtrans-62.5-40.1175.7-76.8176.7-178.8175.90112.2D116 A117 L118 K123 R124D116-K120 WeakPolarHBondContact O-CB 3.46Å; D116-K120 WeakPolarHBondContact O-CG 3.35Å; D116-K120 PolarHBondContact O-N 2.84Å; A117-K120 PolarHBondContact O-N 2.88Å; L118-K120 VanDerWaalsContact C-N 3.27Å; L118-K120 PolarHBondContact O-N 2.83Å; K120-K123 PolarHBondContact O-N 2.86Å; K120-R124 WeakPolarHBondContact O-CB 3.41Å; K120-R124 VanDerWaalsContact O-CG 3.29Å; K120-R124 WeakPolarHBondContact O-CG 3.36Å; K120-R124 PolarHBondContact O-N 3.41Å
121I92.1Very high89.3Confident14 Ų1476.9 Ų76.97%0.07239%0.392CS..Hα-helixtrans-59.8-46.9175.4-69.3165000110.5K83 A117 L118 K119 R124 K125K83-I121 HydrophobicContact CD-CG2 4.49Å; K83-I121 HydrophobicContact CG-CG2 3.71Å; A117-I121 WeakPolarHBondContact O-CG1 3.37Å; A117-I121 PolarHBondContact O-N 3.48Å; L118-I121 HydrophobicContact CD2-CD1 4.29Å; L118-I121 WeakPolarHBondContact O-CB 3.48Å; L118-I121 PolarHBondContact O-N 3.19Å; L118-I121 VanDerWaalsContact O-N 3.1Å; K119-I121 PolarHBondContact O-N 2.83Å; I121-R124 PolarHBondContact O-N 3.26Å; I121-K125 WeakPolarHBondContact O-CB 3.35Å; I121-K125 PolarHBondContact O-N 3.15Å
122I93.4Very high88Confident0 Ų078.6 Ų78.60%041%0.41CS..Hα-helixtrans-60.9-50.1179.4-64.9168.8000110.5V82 A86 P93 I96 I97 L118 K119 R124 K125 R126V82-I122 HydrophobicContact CG1-CD1 3.91Å; V82-I122 HydrophobicContact CG1-CG1 3.59Å; A86-I122 HydrophobicContact CB-CB 4.21Å; A86-I122 HydrophobicContact CB-CG1 4.19Å; A86-I122 HydrophobicContact CB-CG2 3.83Å; P93-I122 HydrophobicContact CB-CD1 3.94Å; P93-I122 HydrophobicContact CB-CG2 4.31Å; P93-I122 HydrophobicContact CG-CG2 4.15Å; I96-I122 HydrophobicContact CB-CD1 4.02Å; I96-I122 HydrophobicContact CD1-CG2 4.23Å; I96-I122 HydrophobicContact CG2-CD1 3.89Å; I96-I122 HydrophobicContact CG2-CG1 4.49Å; I97-I122 HydrophobicContact CD1-CD1 4.23Å; I97-I122 HydrophobicContact CG1-CD1 3.92Å; L118-I122 WeakPolarHBondContact O-CG1 3.23Å; L118-I122 PolarHBondContact O-N 2.79Å; L118-I122 VanDerWaalsContact O-N 3.11Å; K119-I122 PolarHBondContact O-N 3.3Å; I122-R124 PolarHBondContact O-N 3.08Å; I122-K125 PolarHBondContact O-N 2.82Å; I122-R126 PolarHBondContact O-N 2.84Å
123K93.5Very high86.7Confident162 Ų16286.6 Ų86.670%0.70445%0.447SS*.Hα-helixtrans-57.8-47.2179.2-174.7176.7-179.31770111.8K119 K120 K125 R126 A127K119-K123 PolarHBondContact O-N 3.04Å; K120-K123 PolarHBondContact O-N 2.86Å; K123-K125 VanDerWaalsContact C-N 3.34Å; K123-K125 PolarHBondContact O-N 2.89Å; K123-R126 PolarHBondContact O-N 3.14Å; K123-A127 WeakPolarHBondContact O-CB 3.42Å; K123-A127 PolarHBondContact O-N 3.3Å
124R91.5Very high84.5Confident165 Ų16597.6 Ų97.662%0.62349%0.49SS*.Hα-helixtrans-61.3-42.4177.8-74.1175.7-177.8175.60.3111.8K120 I121 I122 A127 S128K120-R124 WeakPolarHBondContact O-CB 3.41Å; K120-R124 VanDerWaalsContact O-CG 3.29Å; K120-R124 WeakPolarHBondContact O-CG 3.36Å; K120-R124 PolarHBondContact O-N 3.41Å; I121-R124 PolarHBondContact O-N 3.26Å; I122-R124 PolarHBondContact O-N 3.08Å; R124-A127 PolarHBondContact O-N 3.19Å; R124-S128 PolarHBondContact O-N 3.41Å
125K90.5Very high84.2Confident75 Ų7597 Ų9733%0.32649%0.485SS..Hα-helixtrans-62.9-45.2179.3-178.156.6-176.6169.70111.4A86 A87 I121 I122 K123 S128 M129A86-K125 HydrophobicContact CB-CB 4.25Å; A86-K125 HydrophobicContact CB-CG 4.21Å; A87-K125 HydrophobicContact CB-CG 4.44Å; I121-K125 WeakPolarHBondContact O-CB 3.35Å; I121-K125 PolarHBondContact O-N 3.15Å; I122-K125 PolarHBondContact O-N 2.82Å; K123-K125 VanDerWaalsContact C-N 3.34Å; K123-K125 PolarHBondContact O-N 2.89Å; K125-S128 PolarHBondContact O-N 3.39Å; K125-S128 PolarHBondContact O-OG 3.06Å; K125-M129 PolarHBondContact O-N 2.89Å
126R92.2Very high83.9Confident55 Ų5598.8 Ų98.821%0.20849%0.488CS..Hα-helixtrans-61.6-45.9175.5-72.4178.9170.3168.6-1.8112.7A86 T89 N91 I122 K123 S128 M129 Q130A86-R126 WeakPolarHBondContact O-CG 3.46Å; A86-R126 PolarHBondContact O-NE 2.91Å; T89-R126 PolarHBondContact O-NH2 2.61Å; N91-R126 VanDerWaalsContact O-CZ 3.26Å; N91-R126 PolarHBondContact O-NH1 3.31Å; N91-R126 PolarHBondContact O-NH2 3.36Å; I122-R126 PolarHBondContact O-N 2.84Å; K123-R126 PolarHBondContact O-N 3.14Å; R126-S128 VanDerWaalsContact C-N 3.29Å; R126-S128 PolarHBondContact O-N 3.28Å; R126-M129 PolarHBondContact O-N 2.8Å; R126-M129 VanDerWaalsContact O-N 3.07Å; R126-Q130 PolarHBondContact O-N 2.99Å
127A89.6Confident83.4Confident50 Ų5099.1 Ų99.141%0.41349%0.488SS..Hα-helixtrans-60.1-38.5177.200000112.6K123 R124 M129 Q130 S131K123-A127 WeakPolarHBondContact O-CB 3.42Å; K123-A127 PolarHBondContact O-N 3.3Å; R124-A127 PolarHBondContact O-N 3.19Å; A127-M129 PolarHBondContact O-N 3.36Å; A127-Q130 PolarHBondContact O-N 3.1Å; A127-S131 PolarHBondContact O-N 3.25Å; A127-S131 PolarHBondContact O-OG 3.03Å
128S86.5Confident82.8Confident69 Ų69103 Ų10348%0.48350%0.5SS..Hα-helixtrans-65.7-21.8177.272.90000113.9R124 K125 R126R124-S128 PolarHBondContact O-N 3.41Å; K125-S128 PolarHBondContact O-N 3.39Å; K125-S128 PolarHBondContact O-OG 3.06Å; R126-S128 VanDerWaalsContact C-N 3.29Å; R126-S128 PolarHBondContact O-N 3.28Å
129M81.6Confident82.2Confident109 Ų109109.2 Ų109.254%0.53753%0.53SS..Hα-helixtrans-87.8-21.6177.3-67.3-178.166.600113.2A87 K125 R126 A127A87-M129 WeakPolarHBondContact CA-SD 3.29Å; A87-M129 HydrophobicContact CB-CE 4.12Å; A87-M129 HydrophobicContact CB-SD 3.39Å; A87-M129 WeakPolarHBondContact CB-SD 3.38Å; K125-M129 PolarHBondContact O-N 2.89Å; R126-M129 PolarHBondContact O-N 2.8Å; R126-M129 VanDerWaalsContact O-N 3.07Å; A127-M129 PolarHBondContact O-N 3.36Å
130Q79.9Confident81.4Confident161 Ų161110.5 Ų110.575%0.75254%0.539SS*.Hα-helixtrans-90.4-16.6178.8-66.3177.417.600112.7R126 A127 P132R126-Q130 PolarHBondContact O-N 2.99Å; A127-Q130 PolarHBondContact O-N 3.1Å; Q130-P132 WeakPolarHBondContact O-CD 3.17Å
131S72.7Confident80.4Confident74 Ų74108.9 Ų108.952%0.51754%0.537SS..SBendtrans-72.6121.5178.2-60.90000109.1A127 Q133A127-S131 PolarHBondContact O-N 3.25Å; A127-S131 PolarHBondContact O-OG 3.03Å; S131-Q133 PolarHBondContact O-N 2.77Å
132P59.9Low79.5Confident116 Ų116116.2 Ų116.275%0.75357%0.572SS**  trans-55.6127173.6-19.930.2000108.7Q130 K134Q130-P132 WeakPolarHBondContact O-CD 3.17Å; P132-K134 PolarHBondContact O-N 2.8Å
133Q62.1Low78.4Confident198 Ų198125.8 Ų125.893%0.92562%0.62SS**  trans-61.6109.1167.8-68.9-176.8-27.400106.3S131S131-Q133 PolarHBondContact O-N 2.77Å
134K40.7Very low77Confident276 Ų276122.5 Ų122.5100%1.261%0.612SS**  trans-68.50170.5-80.7-170.2176-171.70110.2P132P132-K134 PolarHBondContact O-N 2.8Å

Retrieved 134 of 134 residues in 97.5 ms (Link to these results)

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