A0A3Q0KQS4_SCHMA Loading...

Intu_longin_1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQS4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 499 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
1M37.2Very low68.3Low231 Ų231102.1 Ų102.1100%1.13851%0.509SS*.  096.20-174.5172.1164.100106.6V3M1-V3 PolarHBondContact O-N 3.13Å; M1-V3 VanDerWaalsContact O-N 3.17Å
2F39.4Very low70.7Confident204 Ų20493.6 Ų93.690%0.89547%0.467SS*.  trans-69.7111.1177.9-67.5-82.2000107.4V4F2-V4 VanDerWaalsContact C-N 3.29Å; F2-V4 PolarHBondContact O-N 2.84Å
3V42.3Very low72.7Confident127 Ų12786.4 Ų86.477%0.7743%0.431SS*.  trans-6999.3165.1-179.40000104.6M1 D5M1-V3 PolarHBondContact O-N 3.13Å; M1-V3 VanDerWaalsContact O-N 3.17Å; V3-D5 VanDerWaalsContact C-N 3.33Å; V3-D5 PolarHBondContact O-N 3.07Å
4V52Low74.4Confident106 Ų10680.2 Ų80.264%0.64240%0.4SS*.  trans-64.8103.4170.6-179.70000105.3F2 R6F2-V4 VanDerWaalsContact C-N 3.29Å; F2-V4 PolarHBondContact O-N 2.84Å; V4-R6 PolarHBondContact O-N 3.22Å
5D61.9Low75.7Confident90 Ų9074.9 Ų74.948%0.48137%0.373SS..  trans-66124.8176.3-154.77000107.4V3 P92V3-D5 VanDerWaalsContact C-N 3.33Å; V3-D5 PolarHBondContact O-N 3.07Å; D5-P92 HydrophobicContact CB-CB 4.41Å; D5-P92 WeakPolarHBondContact O-CB 3.48Å; D5-P92 WeakPolarHBondContact O-CG 3.27Å
6R71.7Confident76.7Confident107 Ų10770.3 Ų70.340%0.40435%0.35SS..  trans-107.5144.8-171.6-75155.2174.2-147.56.6108.2V4 K8 S90 E161V4-R6 PolarHBondContact O-N 3.22Å; R6-K8 WeakPolarHBondContact O-CG 3.47Å; R6-K8 PolarHBondContact O-N 3.45Å; R6-S90 PolarHBondContact O-OG 2.82Å; R6-E161 VanDerWaalsContact CD-CD 3.45Å; R6-E161 WeakPolarHBondContact CD-OE2 3.41Å; R6-E161 HydrophobicContact CG-CG 4.08Å; R6-E161 IonicContact CZ-OE1 3.16Å; R6-E161 IonicContact CZ-OE2 3.58Å; R6-E161 VanDerWaalsContact CZ-OE2 3.26Å; R6-E161 IonicContact NE-OE1 2.81Å; R6-E161 PolarHBondContact NE-OE1 2.81Å; R6-E161 VanDerWaalsContact NE-OE1 3.09Å; R6-E161 IonicContact NE-OE2 3.91Å; R6-E161 PolarHBondContact NE-OE2 2.86Å; R6-E161 IonicContact NH1-OE1 2.69Å; R6-E161 PolarHBondContact NH1-OE1 2.78Å; R6-E161 IonicContact NH1-OE2 3.79Å; R6-E161 PolarHBondContact NH1-OE2 2.82Å; R6-E161 IonicContact NH2-OE1 3.35Å; R6-E161 PolarHBondContact NH2-OE1 2.81Å
7P82.2Confident77.1Confident17 Ų1770.6 Ų70.611%0.1135%0.347CS..  trans-60.3125.7176.425.7-32.7000109.5I89 S90 L108 F160P7-I89 HydrophobicContact CB-CG2 4.01Å; P7-S90 WeakPolarHBondContact CA-O 3.29Å; P7-L108 HydrophobicContact CB-CD2 4.12Å; P7-F160 HydrophobicContact CB-CB 4.27Å; P7-F160 HydrophobicContact CG-CB 4.25Å
8K86Confident77.1Confident123 Ų12372.7 Ų72.754%0.53536%0.36SS..  trans-133.3148.1-178.6-71.5169.4-173168.90109.2R6 L10 I89 S90R6-K8 WeakPolarHBondContact O-CG 3.47Å; R6-K8 PolarHBondContact O-N 3.45Å; K8-L10 PolarHBondContact O-N 2.86Å; K8-I89 WeakPolarHBondContact O-CA 3.38Å; K8-S90 PolarHBondContact N-OG 3.17Å; K8-S90 PolarHBondContact O-N 3.24Å; K8-S90 PolarHBondContact O-OG 2.84Å
9V90.8Very high76.6Confident25 Ų2573.6 Ų73.615%0.15236%0.361CS..EExtended strand (participates in β ladder)trans-68.3114.7170.4-175.30000108.3L12 F34 I87 L155 F160V9-L12 HydrophobicContact CG1-CB 4.28Å; V9-F34 HydrophobicContact CB-CE1 4.42Å; V9-F34 HydrophobicContact CG1-CD1 4.11Å; V9-F34 HydrophobicContact CG1-CE1 4.09Å; V9-I87 HydrophobicContact CG1-CD1 4.27Å; V9-I87 HydrophobicContact CG1-CG1 4.05Å; V9-I87 HydrophobicContact CG2-CD1 4.08Å; V9-L155 HydrophobicContact CG1-CD2 4.34Å; V9-F160 HydrophobicContact CG2-CD2 3.85Å; V9-F160 HydrophobicContact CG2-CE2 3.58Å
10L92.4Very high76.5Confident72 Ų7273.8 Ų73.838%0.37736%0.358SS..EExtended strand (participates in β ladder)trans-88.7-40176-64.6-180000111.3K8 P35 T72 V88K8-L10 PolarHBondContact O-N 2.86Å; L10-P35 VanDerWaalsContact O-CD 3.3Å; L10-P35 WeakPolarHBondContact O-CD 3.3Å; L10-T72 HydrophobicContact CD1-CG2 3.6Å; L10-V88 HydrophobicContact CB-CG1 4.37Å; L10-V88 PolarHBondContact N-O 3.36Å
11E95.4Very high76.2Confident21 Ų2175.9 Ų75.910%0.09837%0.371CS..EExtended strand (participates in β ladder)trans-144.2143.5176.8-55.4179.6167.200110.1F13 F34 K38 S46 V88E11-F13 HydrophobicContact CB-CD1 4.14Å; E11-F13 HydrophobicContact CB-CE1 4.27Å; E11-F34 VanDerWaalsContact CA-O 3.23Å; E11-F34 WeakPolarHBondContact CA-O 3.25Å; E11-K38 IonicContact OE1-NZ 2.83Å; E11-K38 PolarHBondContact OE1-NZ 2.86Å; E11-S46 PolarHBondContact OE1-OG 3.18Å; E11-S46 WeakPolarHBondContact OE2-CB 3.46Å; E11-S46 PolarHBondContact OE2-OG 2.78Å; E11-V88 HydrophobicContact CB-CB 3.89Å; E11-V88 HydrophobicContact CB-CG2 3.89Å; E11-V88 HydrophobicContact CG-CB 4.43Å; E11-V88 PolarHBondContact N-O 2.78Å; E11-V88 PolarHBondContact O-N 2.88Å
12L96.7Very high77.9Confident0 Ų071.7 Ų71.70%035%0.349CS..EExtended strand (participates in β ladder)trans-139.4125.3160.8-178.7141.9000107.8V9 Y32 F33 F34 I85 V86 I87 L117 F151 L155V9-L12 HydrophobicContact CG1-CB 4.28Å; L12-Y32 HydrophobicContact CD2-CD1 3.63Å; L12-Y32 HydrophobicContact CD2-CE1 3.42Å; L12-Y32 VanDerWaalsContact CD2-CE1 3.42Å; L12-F33 CarbonylContact O-C 3.58Å; L12-F34 HydrophobicContact CB-CB 4.37Å; L12-F34 PolarHBondContact N-O 2.82Å; L12-F34 VanDerWaalsContact N-O 3.14Å; L12-F34 PolarHBondContact O-N 3.41Å; L12-I85 HydrophobicContact CD1-CD1 4.25Å; L12-I85 HydrophobicContact CD2-CD1 4.14Å; L12-I85 HydrophobicContact CD2-CG1 4.43Å; L12-I85 HydrophobicContact CG-CD1 4.42Å; L12-I85 HydrophobicContact CG-CG1 4.42Å; L12-V86 WeakPolarHBondContact CA-O 3.22Å; L12-I87 HydrophobicContact CB-CG1 4.44Å; L12-I87 HydrophobicContact CD1-CB 4.16Å; L12-I87 HydrophobicContact CD1-CD1 4.05Å; L12-I87 HydrophobicContact CD1-CG1 4.08Å; L12-L117 HydrophobicContact CD1-CD1 3.96Å; L12-F151 HydrophobicContact CD1-CE1 4.47Å; L12-F151 HydrophobicContact CD2-CD1 4.08Å; L12-F151 HydrophobicContact CD2-CE1 4.41Å; L12-F151 HydrophobicContact CD2-CG 4.23Å; L12-L155 HydrophobicContact CB-CD1 4.36Å; L12-L155 HydrophobicContact CB-CD2 4.19Å; L12-L155 HydrophobicContact CD1-CD2 3.84Å; L12-L155 HydrophobicContact CG-CD2 4.44Å
13F97Very high79.3Confident0 Ų071.4 Ų71.40%035%0.351CS..EExtended strand (participates in β ladder)trans-142151-178.553.9-91.6000112E11 Y15 Y32 F33 I47 S50 I85 V86 V88E11-F13 HydrophobicContact CB-CD1 4.14Å; E11-F13 HydrophobicContact CB-CE1 4.27Å; F13-Y15 AromaticContact CD2-CD1 3.92Å; F13-Y15 HydrophobicContact CD2-CD1 3.92Å; F13-Y15 HydrophobicContact CD2-CE1 4.36Å; F13-Y15 HydrophobicContact CE2-CD1 4.06Å; F13-Y15 HydrophobicContact CE2-CE1 4.06Å; F13-Y32 CarbonylContact C-O 3.59Å; F13-Y32 WeakPolarHBondContact CA-O 3.46Å; F13-Y32 WeakPolarHBondContact CB-O 3.5Å; F13-F33 HydrophobicContact CB-CB 4.36Å; F13-F33 HydrophobicContact CB-CD2 3.41Å; F13-F33 VanDerWaalsContact CB-CD2 3.41Å; F13-F33 HydrophobicContact CB-CE2 3.78Å; F13-F33 HydrophobicContact CB-CG 3.97Å; F13-F33 HydrophobicContact CD1-CD2 4.28Å; F13-F33 AromaticContact CD1-CE2 3.74Å; F13-F33 HydrophobicContact CD1-CE2 3.74Å; F13-F33 HydrophobicContact CD1-CZ 4.06Å; F13-F33 HydrophobicContact CE1-CE2 4.49Å; F13-F33 AromaticContact CG-CD2 3.98Å; F13-F33 HydrophobicContact CG-CD2 3.98Å; F13-F33 AromaticContact CG-CE2 3.82Å; F13-F33 HydrophobicContact CG-CE2 3.82Å; F13-I47 HydrophobicContact CD2-CD1 4.48Å; F13-I47 HydrophobicContact CD2-CG1 3.71Å; F13-I47 HydrophobicContact CE2-CG1 3.85Å; F13-I47 HydrophobicContact CG-CG1 4.47Å; F13-S50 WeakPolarHBondContact CZ-OG 3.49Å; F13-I85 WeakPolarHBondContact O-CA 3.3Å; F13-V86 HydrophobicContact CD2-CB 4.07Å; F13-V86 HydrophobicContact CD2-CG2 4.47Å; F13-V86 HydrophobicContact CE1-CB 4.13Å; F13-V86 HydrophobicContact CE1-CG1 4.05Å; F13-V86 HydrophobicContact CE2-CB 3.55Å; F13-V86 HydrophobicContact CE2-CG1 4.07Å; F13-V86 HydrophobicContact CE2-CG2 3.81Å; F13-V86 HydrophobicContact CZ-CB 3.58Å; F13-V86 HydrophobicContact CZ-CG1 3.57Å; F13-V86 HydrophobicContact CZ-CG2 4.19Å; F13-V86 PolarHBondContact N-O 2.8Å; F13-V86 PolarHBondContact O-N 3.07Å; F13-V88 HydrophobicContact CE1-CG2 4.23Å
14V96.4Very high80.9Confident0 Ų067.9 Ų67.90%034%0.34CS..EExtended strand (participates in β ladder)trans-123.3130179.3-174.50000107.8L31 Y32 L79 I83 Q84 I85 L147V14-L31 HydrophobicContact CB-CB 4.23Å; V14-L31 HydrophobicContact CG1-CB 4.11Å; V14-L31 HydrophobicContact CG1-CD1 4.18Å; V14-L31 WeakPolarHBondContact O-CA 3.35Å; V14-L31 WeakPolarHBondContact O-CB 3.43Å; V14-L31 PolarHBondContact O-N 2.93Å; V14-Y32 HydrophobicContact CG2-CD1 4.43Å; V14-Y32 PolarHBondContact N-O 3.48Å; V14-Y32 PolarHBondContact O-N 3.33Å; V14-Y32 VanDerWaalsContact O-N 3.16Å; V14-L79 HydrophobicContact CG1-CD1 4.09Å; V14-I83 HydrophobicContact CG1-CG2 3.43Å; V14-I83 VanDerWaalsContact CG1-CG2 3.43Å; V14-Q84 CarbonylContact C-O 3.51Å; V14-Q84 WeakPolarHBondContact CA-O 3.48Å; V14-Q84 WeakPolarHBondContact CG1-O 3.3Å; V14-I85 HydrophobicContact CG2-CB 4.1Å; V14-I85 HydrophobicContact CG2-CD1 3.88Å; V14-I85 HydrophobicContact CG2-CG1 3.8Å; V14-L147 HydrophobicContact CB-CD1 4.1Å; V14-L147 HydrophobicContact CG1-CD1 3.99Å; V14-L147 HydrophobicContact CG2-CD1 4.32Å; V14-L147 HydrophobicContact CG2-CD2 4.41Å
15Y94.3Very high82.4Confident0 Ų064.9 Ų64.90%032%0.32CS..EExtended strand (participates in β ladder)trans-143.4159.2-178.171.4-84.2000112.9F13 R17 K29 I47 E51 I83 Q84 V86F13-Y15 AromaticContact CD2-CD1 3.92Å; F13-Y15 HydrophobicContact CD2-CD1 3.92Å; F13-Y15 HydrophobicContact CD2-CE1 4.36Å; F13-Y15 HydrophobicContact CE2-CD1 4.06Å; F13-Y15 HydrophobicContact CE2-CE1 4.06Å; Y15-R17 HydrophobicContact CE2-CG 4.09Å; Y15-K29 CarbonylContact C-O 3.57Å; Y15-K29 WeakPolarHBondContact CA-O 3.5Å; Y15-K29 WeakPolarHBondContact CB-O 3.44Å; Y15-I47 HydrophobicContact CD1-CG1 4.48Å; Y15-I47 HydrophobicContact CD1-CG2 4.34Å; Y15-I47 HydrophobicContact CD2-CG2 3.88Å; Y15-I47 HydrophobicContact CE2-CG2 4.26Å; Y15-I47 HydrophobicContact CG-CG2 3.91Å; Y15-E51 HydrophobicContact CD2-CG 4.45Å; Y15-E51 HydrophobicContact CE2-CG 3.59Å; Y15-I83 WeakPolarHBondContact O-CA 3.41Å; Y15-Q84 HydrophobicContact CD1-CB 4.08Å; Y15-Q84 HydrophobicContact CE1-CB 3.68Å; Y15-Q84 HydrophobicContact CE1-CG 3.94Å; Y15-Q84 HydrophobicContact CE2-CB 4.24Å; Y15-Q84 PolarHBondContact N-O 2.87Å; Y15-Q84 PolarHBondContact O-N 3.43Å; Y15-Q84 PolarHBondContact OH-OE1 3.47Å; Y15-V86 HydrophobicContact CE1-CG2 3.86Å
16T91.5Very high83.4Confident1 Ų165.1 Ų65.11%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-94.4135.5175.360.80000111.4K29 L31 S82 I83 Y140T16-K29 PolarHBondContact N-O 3.16Å; T16-K29 WeakPolarHBondContact OG1-CA 3.47Å; T16-L31 HydrophobicContact CG2-CD1 3.76Å; T16-L31 HydrophobicContact CG2-CD2 4.01Å; T16-L31 HydrophobicContact CG2-CG 3.97Å; T16-S82 CarbonylContact C-O 3.5Å; T16-S82 WeakPolarHBondContact CA-O 3.46Å; T16-I83 HydrophobicContact CG2-CG1 4.24Å; T16-Y140 HydrophobicContact CG2-CD1 4.15Å; T16-Y140 HydrophobicContact CG2-CE1 3.59Å
17R83.8Confident84Confident77 Ų7765.3 Ų65.329%0.29132%0.32SS..SBendtrans-84.4-42177.4-72.2179.7167.2-168.1-8.7114.1Y15 K19 S82 Q84Y15-R17 HydrophobicContact CE2-CG 4.09Å; R17-K19 PolarHBondContact O-N 3.5Å; R17-S82 PolarHBondContact N-O 2.95Å; R17-Q84 VanDerWaalsContact CZ-CD 3.42Å; R17-Q84 VanDerWaalsContact NE-NE2 3.13Å
18D76.3Confident84.2Confident108 Ų10867.5 Ų67.558%0.57833%0.328SS*.SBendtrans-96.112.5-162.5-52.7-25.8000114.2S82D18-S82 WeakPolarHBondContact OD2-CB 3.45Å
19K68.8Low84.3Confident90 Ų9062.3 Ų62.339%0.39131%0.305SS..SBendtrans-139.7149.9-173.4-71.7-171.4175.1174.80111.2R17 K29 Y140R17-K19 PolarHBondContact O-N 3.5Å; K19-K29 WeakPolarHBondContact O-CE 3.46Å; K19-K29 WeakPolarHBondContact O-CG 3.44Å; K19-Y140 HydrophobicContact CD-CE2 4.25Å; K19-Y140 VanDerWaalsContact NZ-CE2 3.34Å; K19-Y140 PolarHBondContact NZ-OH 3.39Å
20Y73.9Confident84.4Confident76 Ų7662.1 Ų62.130%0.29830%0.303SS..  trans68.743.8175.2-44-73.1000114.7E22 K28 K29Y20-E22 PolarHBondContact O-N 2.97Å; Y20-K28 HydrophobicContact CD1-CB 3.77Å; Y20-K28 HydrophobicContact CD1-CD 3.8Å; Y20-K28 HydrophobicContact CD1-CG 4.44Å; Y20-K28 HydrophobicContact CD2-CB 3.84Å; Y20-K28 HydrophobicContact CE1-CB 3.89Å; Y20-K28 HydrophobicContact CE1-CD 3.8Å; Y20-K28 HydrophobicContact CE2-CB 3.96Å; Y20-K28 HydrophobicContact CG-CB 3.74Å; Y20-K29 HydrophobicContact CD2-CG 4.15Å; Y20-K29 WeakPolarHBondContact O-CE 3.28Å
21D69.5Low84.5Confident118 Ų11859 Ų5963%0.63129%0.287SS*.  trans-80.21.3174.6-61.6-37.4000113.6K29D21-K29 WeakPolarHBondContact OD1-CE 3.45Å; D21-K29 IonicContact OD1-NZ 3.59Å; D21-K29 PolarHBondContact OD1-NZ 3.08Å
22E73.7Confident84.5Confident144 Ų14458.4 Ų58.467%0.67328%0.284SS*.SBendtrans-76.7136174.2-65.9-173.3177.100110.9Y20 G24 D25Y20-E22 PolarHBondContact O-N 2.97Å; E22-G24 PolarHBondContact O-N 3.28Å; E22-D25 PolarHBondContact O-N 3.02Å
23E69.7Low84.5Confident198 Ų19858.7 Ų58.793%0.92529%0.285SS*.THydrogen-bonded Turntrans-58.8123.4-179.3-166175.6-175.900110.6
24G76.1Confident84.5Confident53 Ų5361.7 Ų61.755%0.54630%0.298SS..THydrogen-bonded Turntrans97.7-15.7-176.700000115.1E22 Y27E22-G24 PolarHBondContact O-N 3.28Å; G24-Y27 VanDerWaalsContact O-CD1 3.24Å; G24-Y27 WeakPolarHBondContact O-CD1 3.21Å; G24-Y27 WeakPolarHBondContact O-CE1 3.44Å
25D82.3Confident84.3Confident42 Ų4263.2 Ų63.223%0.22531%0.308CS..  trans-98.3-0.2178.3-975000113.7E22 Y27 K28E22-D25 PolarHBondContact O-N 3.02Å; D25-Y27 PolarHBondContact O-N 3.07Å; D25-Y27 VanDerWaalsContact O-N 3.12Å; D25-K28 HydrophobicContact CB-CD 4.27Å; D25-K28 VanDerWaalsContact O-CB 3.24Å; D25-K28 WeakPolarHBondContact O-CB 3.4Å; D25-K28 PolarHBondContact O-N 2.86Å; D25-K28 VanDerWaalsContact OD1-CE 3.26Å; D25-K28 WeakPolarHBondContact OD1-CE 3.42Å; D25-K28 IonicContact OD1-NZ 3.02Å; D25-K28 PolarHBondContact OD1-NZ 3.02Å; D25-K28 IonicContact OD2-NZ 2.75Å; D25-K28 PolarHBondContact OD2-NZ 3.5Å
26E82.6Confident84.1Confident95 Ų9567.3 Ų67.344%0.44433%0.33SS..G310 helixtrans-54.6-35-177.3-61.1179.7168.700113.5K28 K29 L44E26-K28 PolarHBondContact O-N 3.16Å; E26-K28 VanDerWaalsContact O-N 3.12Å; E26-K29 WeakPolarHBondContact O-CB 3.32Å; E26-K29 WeakPolarHBondContact O-CG 3.31Å; E26-K29 PolarHBondContact O-N 2.83Å; E26-L44 HydrophobicContact CB-CD2 3.91Å
27Y84.1Confident84Confident111 Ų11175.1 Ų75.144%0.43537%0.366SS..G310 helixtrans-61.3-22.817871.6-88.8000113G24 D25 K29 I30G24-Y27 VanDerWaalsContact O-CD1 3.24Å; G24-Y27 WeakPolarHBondContact O-CD1 3.21Å; G24-Y27 WeakPolarHBondContact O-CE1 3.44Å; D25-Y27 PolarHBondContact O-N 3.07Å; D25-Y27 VanDerWaalsContact O-N 3.12Å; Y27-K29 PolarHBondContact O-N 3.36Å; Y27-I30 WeakPolarHBondContact O-CG1 3.47Å; Y27-I30 PolarHBondContact O-N 3.05Å
28K86.3Confident84.4Confident64 Ų6474.5 Ų74.528%0.27837%0.365SS..G310 helixtrans-72.2-19.2176.3-61.9175.6180162.90112.3Y20 D25 E26 I30Y20-K28 HydrophobicContact CD1-CB 3.77Å; Y20-K28 HydrophobicContact CD1-CD 3.8Å; Y20-K28 HydrophobicContact CD1-CG 4.44Å; Y20-K28 HydrophobicContact CD2-CB 3.84Å; Y20-K28 HydrophobicContact CE1-CB 3.89Å; Y20-K28 HydrophobicContact CE1-CD 3.8Å; Y20-K28 HydrophobicContact CE2-CB 3.96Å; Y20-K28 HydrophobicContact CG-CB 3.74Å; D25-K28 HydrophobicContact CB-CD 4.27Å; D25-K28 VanDerWaalsContact O-CB 3.24Å; D25-K28 WeakPolarHBondContact O-CB 3.4Å; D25-K28 PolarHBondContact O-N 2.86Å; D25-K28 VanDerWaalsContact OD1-CE 3.26Å; D25-K28 WeakPolarHBondContact OD1-CE 3.42Å; D25-K28 IonicContact OD1-NZ 3.02Å; D25-K28 PolarHBondContact OD1-NZ 3.02Å; D25-K28 IonicContact OD2-NZ 2.75Å; D25-K28 PolarHBondContact OD2-NZ 3.5Å; E26-K28 PolarHBondContact O-N 3.16Å; E26-K28 VanDerWaalsContact O-N 3.12Å; K28-I30 PolarHBondContact O-N 3.36Å
29K89.4Confident85.2Confident14 Ų1471.9 Ų71.96%0.06136%0.356CS..G310 helixtrans-64.4-25.5173.8-61.1-173.6177.5-1690112.5Y15 T16 K19 Y20 D21 E26 Y27 L31 E51Y15-K29 CarbonylContact C-O 3.57Å; Y15-K29 WeakPolarHBondContact CA-O 3.5Å; Y15-K29 WeakPolarHBondContact CB-O 3.44Å; T16-K29 PolarHBondContact N-O 3.16Å; T16-K29 WeakPolarHBondContact OG1-CA 3.47Å; K19-K29 WeakPolarHBondContact O-CE 3.46Å; K19-K29 WeakPolarHBondContact O-CG 3.44Å; Y20-K29 HydrophobicContact CD2-CG 4.15Å; Y20-K29 WeakPolarHBondContact O-CE 3.28Å; D21-K29 WeakPolarHBondContact OD1-CE 3.45Å; D21-K29 IonicContact OD1-NZ 3.59Å; D21-K29 PolarHBondContact OD1-NZ 3.08Å; E26-K29 WeakPolarHBondContact O-CB 3.32Å; E26-K29 WeakPolarHBondContact O-CG 3.31Å; E26-K29 PolarHBondContact O-N 2.83Å; Y27-K29 PolarHBondContact O-N 3.36Å; K29-L31 PolarHBondContact O-N 3.21Å; K29-E51 IonicContact NZ-OE1 3.96Å; K29-E51 IonicContact NZ-OE2 3.68Å
30I93.1Very high86.3Confident21 Ų2171.8 Ų71.811%0.10836%0.359CS..EExtended strand (participates in β ladder)trans-74.7113.8-175.1-45.7-173.2000109.7Y27 K28 F33 L40 K43 L44 I47 K144Y27-I30 WeakPolarHBondContact O-CG1 3.47Å; Y27-I30 PolarHBondContact O-N 3.05Å; K28-I30 PolarHBondContact O-N 3.36Å; I30-F33 HydrophobicContact CG2-CB 4.15Å; I30-L40 HydrophobicContact CD1-CD1 4.13Å; I30-K43 HydrophobicContact CD1-CB 3.91Å; I30-L44 HydrophobicContact CD1-CD2 4.16Å; I30-I47 HydrophobicContact CB-CD1 4.32Å; I30-I47 HydrophobicContact CD1-CD1 3.92Å; I30-I47 HydrophobicContact CG1-CD1 3.54Å; I30-I47 HydrophobicContact CG2-CD1 4.29Å; I30-K144 VanDerWaalsContact O-CE 3.27Å; I30-K144 WeakPolarHBondContact O-CE 3.46Å
31L93.3Very high87.2Confident6 Ų673.6 Ų73.63%0.03137%0.374CS..EExtended strand (participates in β ladder)trans-95-32175.3-57.5-174.3000112.5V14 T16 K29 I83 Y140 I143 K144 L147V14-L31 HydrophobicContact CB-CB 4.23Å; V14-L31 HydrophobicContact CG1-CB 4.11Å; V14-L31 HydrophobicContact CG1-CD1 4.18Å; V14-L31 WeakPolarHBondContact O-CA 3.35Å; V14-L31 WeakPolarHBondContact O-CB 3.43Å; V14-L31 PolarHBondContact O-N 2.93Å; T16-L31 HydrophobicContact CG2-CD1 3.76Å; T16-L31 HydrophobicContact CG2-CD2 4.01Å; T16-L31 HydrophobicContact CG2-CG 3.97Å; K29-L31 PolarHBondContact O-N 3.21Å; L31-I83 HydrophobicContact CD1-CD1 3.75Å; L31-I83 HydrophobicContact CD1-CG1 4.06Å; L31-I83 HydrophobicContact CD1-CG2 3.96Å; L31-Y140 HydrophobicContact CD1-CD1 4.31Å; L31-Y140 HydrophobicContact CD2-CD1 3.66Å; L31-Y140 HydrophobicContact CD2-CE1 4.48Å; L31-Y140 HydrophobicContact CD2-CG 4.44Å; L31-I143 HydrophobicContact CD1-CG2 4.41Å; L31-K144 HydrophobicContact CD2-CG 4.29Å; L31-K144 WeakPolarHBondContact O-CG 3.45Å; L31-L147 HydrophobicContact CB-CD1 3.81Å
32Y96Very high88.4Confident9 Ų971.8 Ų71.84%0.03536%0.364CS..EExtended strand (participates in β ladder)trans-157.9146.3175.9175.6-100.5000109.7L12 F13 V14 F34 L147 E148 F151 L155L12-Y32 HydrophobicContact CD2-CD1 3.63Å; L12-Y32 HydrophobicContact CD2-CE1 3.42Å; L12-Y32 VanDerWaalsContact CD2-CE1 3.42Å; F13-Y32 CarbonylContact C-O 3.59Å; F13-Y32 WeakPolarHBondContact CA-O 3.46Å; F13-Y32 WeakPolarHBondContact CB-O 3.5Å; V14-Y32 HydrophobicContact CG2-CD1 4.43Å; V14-Y32 PolarHBondContact N-O 3.48Å; V14-Y32 PolarHBondContact O-N 3.33Å; V14-Y32 VanDerWaalsContact O-N 3.16Å; Y32-F34 HydrophobicContact CE1-CB 3.87Å; Y32-L147 HydrophobicContact CD2-CB 4.34Å; Y32-L147 HydrophobicContact CG-CB 4.28Å; Y32-E148 HydrophobicContact CD2-CB 4.42Å; Y32-E148 VanDerWaalsContact CD2-OE2 3.31Å; Y32-E148 WeakPolarHBondContact CD2-OE2 3.32Å; Y32-E148 WeakPolarHBondContact CE2-OE2 3.12Å; Y32-F151 HydrophobicContact CD1-CB 4.4Å; Y32-F151 HydrophobicContact CE1-CB 3.7Å; Y32-F151 HydrophobicContact CE1-CG 4.32Å; Y32-F151 HydrophobicContact CE2-CB 4.09Å; Y32-L155 HydrophobicContact CE1-CD1 4.39Å; Y32-L155 WeakPolarHBondContact OH-CD1 3.14Å
33F97Very high89.3Confident6 Ų666.1 Ų66.13%0.02634%0.337CS..EExtended strand (participates in β ladder)trans-148.7126.4174.6-157.3-71.4000111.4L12 F13 I30 N36 K38 K43L12-F33 CarbonylContact O-C 3.58Å; F13-F33 HydrophobicContact CB-CB 4.36Å; F13-F33 HydrophobicContact CB-CD2 3.41Å; F13-F33 VanDerWaalsContact CB-CD2 3.41Å; F13-F33 HydrophobicContact CB-CE2 3.78Å; F13-F33 HydrophobicContact CB-CG 3.97Å; F13-F33 HydrophobicContact CD1-CD2 4.28Å; F13-F33 AromaticContact CD1-CE2 3.74Å; F13-F33 HydrophobicContact CD1-CE2 3.74Å; F13-F33 HydrophobicContact CD1-CZ 4.06Å; F13-F33 HydrophobicContact CE1-CE2 4.49Å; F13-F33 AromaticContact CG-CD2 3.98Å; F13-F33 HydrophobicContact CG-CD2 3.98Å; F13-F33 AromaticContact CG-CE2 3.82Å; F13-F33 HydrophobicContact CG-CE2 3.82Å; I30-F33 HydrophobicContact CG2-CB 4.15Å; F33-N36 WeakPolarHBondContact O-CA 3.33Å; F33-N36 PolarHBondContact O-N 3.2Å; F33-K38 HydrophobicContact CE1-CB 4.44Å; F33-K38 HydrophobicContact CE1-CD 3.85Å; F33-K38 HydrophobicContact CZ-CD 4.49Å; F33-K43 HydrophobicContact CB-CD 3.95Å; F33-K43 HydrophobicContact CB-CG 4.31Å; F33-K43 HydrophobicContact CD1-CD 4.09Å; F33-K43 HydrophobicContact CD1-CG 3.69Å; F33-K43 HydrophobicContact CD2-CB 3.71Å; F33-K43 HydrophobicContact CD2-CD 4.17Å; F33-K43 HydrophobicContact CD2-CG 3.64Å; F33-K43 HydrophobicContact CE1-CG 3.88Å; F33-K43 HydrophobicContact CE2-CB 3.72Å; F33-K43 HydrophobicContact CE2-CG 3.81Å; F33-K43 HydrophobicContact CG-CB 4.19Å; F33-K43 HydrophobicContact CG-CD 3.79Å; F33-K43 HydrophobicContact CG-CG 3.59Å; F33-K43 HydrophobicContact CZ-CB 4.21Å; F33-K43 HydrophobicContact CZ-CG 3.93Å
34F95.6Very high90.4Very high63 Ų6358.4 Ų58.428%0.27630%0.302SS..EExtended strand (participates in β ladder)trans-115.7138.1171172.7-97000110.4V9 E11 L12 Y32 L155V9-F34 HydrophobicContact CB-CE1 4.42Å; V9-F34 HydrophobicContact CG1-CD1 4.11Å; V9-F34 HydrophobicContact CG1-CE1 4.09Å; E11-F34 VanDerWaalsContact CA-O 3.23Å; E11-F34 WeakPolarHBondContact CA-O 3.25Å; L12-F34 HydrophobicContact CB-CB 4.37Å; L12-F34 PolarHBondContact N-O 2.82Å; L12-F34 VanDerWaalsContact N-O 3.14Å; L12-F34 PolarHBondContact O-N 3.41Å; Y32-F34 HydrophobicContact CE1-CB 3.87Å; F34-L155 HydrophobicContact CB-CD1 3.65Å; F34-L155 HydrophobicContact CD1-CD1 3.79Å; F34-L155 HydrophobicContact CD2-CD1 3.7Å; F34-L155 HydrophobicContact CE1-CD1 4.37Å; F34-L155 HydrophobicContact CE2-CD1 4.31Å; F34-L155 HydrophobicContact CG-CD1 3.41Å; F34-L155 VanDerWaalsContact CG-CD1 3.41Å
35P93.7Very high91.3Very high32 Ų3261 Ų6121%0.20830%0.304CS..SBendcis-65.5144.5-12.6-19.231.9000111.5L10 E37 K38L10-P35 VanDerWaalsContact O-CD 3.3Å; L10-P35 WeakPolarHBondContact O-CD 3.3Å; P35-E37 WeakPolarHBondContact CB-OE2 3.37Å; P35-E37 PolarHBondContact O-N 2.92Å; P35-K38 PolarHBondContact O-N 3.39Å
36N89.1Confident91.8Very high86 Ų8659.5 Ų59.546%0.4630%0.297SS..THydrogen-bonded Turntrans-71.5-20.8-176.6-168.716.4000111.8F33 K38 K43F33-N36 WeakPolarHBondContact O-CA 3.33Å; F33-N36 PolarHBondContact O-N 3.2Å; N36-K38 PolarHBondContact O-N 2.91Å; N36-K43 WeakPolarHBondContact O-CE 3.26Å; N36-K43 PolarHBondContact O-NZ 3.41Å; N36-K43 PolarHBondContact OD1-NZ 3.4Å; N36-K43 VanDerWaalsContact OD1-NZ 3.1Å
37E90.4Very high92.3Very high164 Ų16455.3 Ų55.377%0.76628%0.277SS*.THydrogen-bonded Turntrans-73.4-11.2-177.5-54.677.6-169.200113.7P35P35-E37 WeakPolarHBondContact CB-OE2 3.37Å; P35-E37 PolarHBondContact O-N 2.92Å
38K91.6Very high92.7Very high64 Ų6451.6 Ų51.628%0.27827%0.273SS..SBendtrans-62.6147.1176.5-84.2-178.5169.1171.80111.9E11 F33 P35 N36 K43E11-K38 IonicContact OE1-NZ 2.83Å; E11-K38 PolarHBondContact OE1-NZ 2.86Å; F33-K38 HydrophobicContact CE1-CB 4.44Å; F33-K38 HydrophobicContact CE1-CD 3.85Å; F33-K38 HydrophobicContact CZ-CD 4.49Å; P35-K38 PolarHBondContact O-N 3.39Å; N36-K38 PolarHBondContact O-N 2.91Å; K38-K43 HydrophobicContact CB-CG 4.25Å; K38-K43 WeakPolarHBondContact O-CE 3.44Å
39S93.8Very high93Very high53 Ų5352.3 Ų52.337%0.37128%0.279SS..  trans-62.1154.2177.777.30000110.9D41 D42 K43S39-D41 VanDerWaalsContact C-N 3.26Å; S39-D41 PolarHBondContact O-N 2.89Å; S39-D42 PolarHBondContact O-N 3.3Å; S39-D42 WeakPolarHBondContact OG-CB 3.4Å; S39-D42 PolarHBondContact OG-N 3.3Å; S39-D42 VanDerWaalsContact OG-N 3.15Å; S39-D42 PolarHBondContact OG-OD2 3.38Å; S39-K43 WeakPolarHBondContact O-CG 3.21Å; S39-K43 PolarHBondContact O-N 2.97Å; S39-K43 VanDerWaalsContact O-N 3.1Å
40L91.3Very high93.2Very high89 Ų8951.7 Ų51.747%0.46628%0.276SS..Hα-helixtrans-60.3-40.6178.6-177.262.9000111.4I30 D42 K43 L44I30-L40 HydrophobicContact CD1-CD1 4.13Å; L40-D42 PolarHBondContact O-N 2.81Å; L40-K43 WeakPolarHBondContact O-CB 3.46Å; L40-K43 PolarHBondContact O-N 3.25Å; L40-L44 HydrophobicContact CD1-CG 4.48Å; L40-L44 HydrophobicContact CG-CD1 4.13Å; L40-L44 HydrophobicContact CG-CG 4.45Å; L40-L44 WeakPolarHBondContact O-CG 3.47Å; L40-L44 PolarHBondContact O-N 3.13Å
41D92Very high93Very high113 Ų11352.9 Ų52.960%0.60428%0.282SS*.Hα-helixtrans-61.6-42.6178.7-59.5-22.6000111.4S39 K43 L44 N45S39-D41 VanDerWaalsContact C-N 3.26Å; S39-D41 PolarHBondContact O-N 2.89Å; D41-K43 VanDerWaalsContact C-N 3.33Å; D41-K43 PolarHBondContact O-N 2.97Å; D41-L44 PolarHBondContact O-N 3.25Å; D41-N45 WeakPolarHBondContact O-CB 3.35Å; D41-N45 PolarHBondContact O-N 3.11Å; D41-N45 PolarHBondContact O-ND2 2.67Å; D41-N45 VanDerWaalsContact O-ND2 3.1Å
42D94.4Very high92.9Very high81 Ų8155.3 Ų55.343%0.43330%0.303SS..Hα-helixtrans-63.2-40.7175.4-65.6-41000111.8S39 L40 N45 S46S39-D42 PolarHBondContact O-N 3.3Å; S39-D42 WeakPolarHBondContact OG-CB 3.4Å; S39-D42 PolarHBondContact OG-N 3.3Å; S39-D42 VanDerWaalsContact OG-N 3.15Å; S39-D42 PolarHBondContact OG-OD2 3.38Å; L40-D42 PolarHBondContact O-N 2.81Å; D42-N45 PolarHBondContact O-N 3.28Å; D42-S46 PolarHBondContact O-N 2.89Å
43K94.5Very high92.6Very high25 Ų2556.4 Ų56.411%0.10931%0.309CS..Hα-helixtrans-63.3-46178-65.9177.7178.6171.50111.1I30 F33 N36 K38 S39 L40 D41 S46 I47I30-K43 HydrophobicContact CD1-CB 3.91Å; F33-K43 HydrophobicContact CB-CD 3.95Å; F33-K43 HydrophobicContact CB-CG 4.31Å; F33-K43 HydrophobicContact CD1-CD 4.09Å; F33-K43 HydrophobicContact CD1-CG 3.69Å; F33-K43 HydrophobicContact CD2-CB 3.71Å; F33-K43 HydrophobicContact CD2-CD 4.17Å; F33-K43 HydrophobicContact CD2-CG 3.64Å; F33-K43 HydrophobicContact CE1-CG 3.88Å; F33-K43 HydrophobicContact CE2-CB 3.72Å; F33-K43 HydrophobicContact CE2-CG 3.81Å; F33-K43 HydrophobicContact CG-CB 4.19Å; F33-K43 HydrophobicContact CG-CD 3.79Å; F33-K43 HydrophobicContact CG-CG 3.59Å; F33-K43 HydrophobicContact CZ-CB 4.21Å; F33-K43 HydrophobicContact CZ-CG 3.93Å; N36-K43 WeakPolarHBondContact O-CE 3.26Å; N36-K43 PolarHBondContact O-NZ 3.41Å; N36-K43 PolarHBondContact OD1-NZ 3.4Å; N36-K43 VanDerWaalsContact OD1-NZ 3.1Å; K38-K43 HydrophobicContact CB-CG 4.25Å; K38-K43 WeakPolarHBondContact O-CE 3.44Å; S39-K43 WeakPolarHBondContact O-CG 3.21Å; S39-K43 PolarHBondContact O-N 2.97Å; S39-K43 VanDerWaalsContact O-N 3.1Å; L40-K43 WeakPolarHBondContact O-CB 3.46Å; L40-K43 PolarHBondContact O-N 3.25Å; D41-K43 VanDerWaalsContact C-N 3.33Å; D41-K43 PolarHBondContact O-N 2.97Å; K43-S46 PolarHBondContact O-N 3.47Å; K43-I47 WeakPolarHBondContact O-CG1 3.34Å; K43-I47 PolarHBondContact O-N 3.04Å; K43-I47 VanDerWaalsContact O-N 3.16Å
44L92.3Very high92.2Very high36 Ų3656.5 Ų56.519%0.18831%0.311CS..Hα-helixtrans-63.1-42.1176.6-71.6174.9000111.4E26 I30 L40 D41 S46 I47 G48E26-L44 HydrophobicContact CB-CD2 3.91Å; I30-L44 HydrophobicContact CD1-CD2 4.16Å; L40-L44 HydrophobicContact CD1-CG 4.48Å; L40-L44 HydrophobicContact CG-CD1 4.13Å; L40-L44 HydrophobicContact CG-CG 4.45Å; L40-L44 WeakPolarHBondContact O-CG 3.47Å; L40-L44 PolarHBondContact O-N 3.13Å; D41-L44 PolarHBondContact O-N 3.25Å; L44-S46 PolarHBondContact O-N 2.73Å; L44-I47 PolarHBondContact O-N 3.06Å; L44-G48 PolarHBondContact O-N 3.08Å
45N93.7Very high91.8Very high107 Ų10758 Ų5857%0.57233%0.325SS*.Hα-helixtrans-59.7-44.2175.9-75.7-32.6000112.5D41 D42 I47 L49D41-N45 WeakPolarHBondContact O-CB 3.35Å; D41-N45 PolarHBondContact O-N 3.11Å; D41-N45 PolarHBondContact O-ND2 2.67Å; D41-N45 VanDerWaalsContact O-ND2 3.1Å; D42-N45 PolarHBondContact O-N 3.28Å; N45-I47 VanDerWaalsContact C-N 3.34Å; N45-I47 PolarHBondContact O-N 3.26Å; N45-L49 VanDerWaalsContact O-CB 3.29Å; N45-L49 WeakPolarHBondContact O-CB 3.35Å; N45-L49 PolarHBondContact O-N 3.47Å
46S94.4Very high91.5Very high11 Ų1162.9 Ų62.98%0.07734%0.343CS..Hα-helixtrans-65.5-36.6178.1-83.40000112.9E11 D42 K43 L44 S50E11-S46 PolarHBondContact OE1-OG 3.18Å; E11-S46 WeakPolarHBondContact OE2-CB 3.46Å; E11-S46 PolarHBondContact OE2-OG 2.78Å; D42-S46 PolarHBondContact O-N 2.89Å; K43-S46 PolarHBondContact O-N 3.47Å; L44-S46 PolarHBondContact O-N 2.73Å; S46-S50 WeakPolarHBondContact O-CB 3.34Å; S46-S50 PolarHBondContact O-N 3.27Å; S46-S50 PolarHBondContact O-OG 2.82Å
47I93.3Very high91.5Very high6 Ų660 Ų603%0.03133%0.329CS..Hα-helixtrans-72.9-48.9177.1-68167.8000110.6F13 Y15 I30 K43 L44 N45 L49 S50 E51F13-I47 HydrophobicContact CD2-CD1 4.48Å; F13-I47 HydrophobicContact CD2-CG1 3.71Å; F13-I47 HydrophobicContact CE2-CG1 3.85Å; F13-I47 HydrophobicContact CG-CG1 4.47Å; Y15-I47 HydrophobicContact CD1-CG1 4.48Å; Y15-I47 HydrophobicContact CD1-CG2 4.34Å; Y15-I47 HydrophobicContact CD2-CG2 3.88Å; Y15-I47 HydrophobicContact CE2-CG2 4.26Å; Y15-I47 HydrophobicContact CG-CG2 3.91Å; I30-I47 HydrophobicContact CB-CD1 4.32Å; I30-I47 HydrophobicContact CD1-CD1 3.92Å; I30-I47 HydrophobicContact CG1-CD1 3.54Å; I30-I47 HydrophobicContact CG2-CD1 4.29Å; K43-I47 WeakPolarHBondContact O-CG1 3.34Å; K43-I47 PolarHBondContact O-N 3.04Å; K43-I47 VanDerWaalsContact O-N 3.16Å; L44-I47 PolarHBondContact O-N 3.06Å; N45-I47 VanDerWaalsContact C-N 3.34Å; N45-I47 PolarHBondContact O-N 3.26Å; I47-L49 VanDerWaalsContact C-N 3.28Å; I47-L49 PolarHBondContact O-N 3.03Å; I47-S50 CarbonylContact O-C 3.49Å; I47-S50 WeakPolarHBondContact O-CA 3.47Å; I47-S50 VanDerWaalsContact O-CB 3.3Å; I47-S50 WeakPolarHBondContact O-CB 3.15Å; I47-S50 PolarHBondContact O-N 3.14Å; I47-E51 HydrophobicContact CG2-CG 4.35Å; I47-E51 PolarHBondContact O-N 2.99Å
48G91.6Very high91.2Very high34 Ų3455.9 Ų55.935%0.35131%0.312SS..Hα-helixtrans-58.4-39.8177.700000112.4L44 S50 E51 A52L44-G48 PolarHBondContact O-N 3.08Å; G48-S50 VanDerWaalsContact C-N 3.33Å; G48-S50 PolarHBondContact O-N 3.36Å; G48-E51 PolarHBondContact O-N 3.3Å; G48-A52 VanDerWaalsContact O-CB 3.32Å; G48-A52 WeakPolarHBondContact O-CB 3.35Å; G48-A52 PolarHBondContact O-N 3.39Å
49L93.1Very high91Very high79 Ų7957.1 Ų57.141%0.41433%0.329SS..Hα-helixtrans-62-40.8172177.857.2000112.1N45 I47 A52 I53 R74N45-L49 VanDerWaalsContact O-CB 3.29Å; N45-L49 WeakPolarHBondContact O-CB 3.35Å; N45-L49 PolarHBondContact O-N 3.47Å; I47-L49 VanDerWaalsContact C-N 3.28Å; I47-L49 PolarHBondContact O-N 3.03Å; L49-A52 PolarHBondContact O-N 2.81Å; L49-I53 HydrophobicContact CD1-CD1 3.94Å; L49-I53 HydrophobicContact CD1-CG1 4.26Å; L49-I53 HydrophobicContact CG-CD1 3.98Å; L49-I53 WeakPolarHBondContact O-CD1 3.48Å; L49-I53 WeakPolarHBondContact O-CG1 3.26Å; L49-I53 PolarHBondContact O-N 3.35Å; L49-R74 VanDerWaalsContact CD2-NH1 3.33Å
50S92.6Very high90.7Very high0 Ų060.6 Ų60.60%034%0.338CS..Hα-helixtrans-67.1-41.3178.7-62.40000112.1F13 S46 I47 G48 I53 A54F13-S50 WeakPolarHBondContact CZ-OG 3.49Å; S46-S50 WeakPolarHBondContact O-CB 3.34Å; S46-S50 PolarHBondContact O-N 3.27Å; S46-S50 PolarHBondContact O-OG 2.82Å; I47-S50 CarbonylContact O-C 3.49Å; I47-S50 WeakPolarHBondContact O-CA 3.47Å; I47-S50 VanDerWaalsContact O-CB 3.3Å; I47-S50 WeakPolarHBondContact O-CB 3.15Å; I47-S50 PolarHBondContact O-N 3.14Å; G48-S50 VanDerWaalsContact C-N 3.33Å; G48-S50 PolarHBondContact O-N 3.36Å; S50-I53 PolarHBondContact O-N 2.96Å; S50-A54 WeakPolarHBondContact O-CB 3.24Å; S50-A54 PolarHBondContact O-N 3.32Å
51E89.9Confident90.1Very high47 Ų4763.9 Ų63.922%0.2236%0.356CS..Hα-helixtrans-65.3-42.6174.6-71.4-175.5152.300111.9Y15 K29 I47 G48 I53 A54 T55Y15-E51 HydrophobicContact CD2-CG 4.45Å; Y15-E51 HydrophobicContact CE2-CG 3.59Å; K29-E51 IonicContact NZ-OE1 3.96Å; K29-E51 IonicContact NZ-OE2 3.68Å; I47-E51 HydrophobicContact CG2-CG 4.35Å; I47-E51 PolarHBondContact O-N 2.99Å; G48-E51 PolarHBondContact O-N 3.3Å; E51-I53 PolarHBondContact O-N 3.31Å; E51-A54 PolarHBondContact O-N 3.39Å; E51-T55 VanDerWaalsContact O-CB 3.29Å; E51-T55 WeakPolarHBondContact O-CB 3.24Å; E51-T55 PolarHBondContact O-N 3.45Å; E51-T55 PolarHBondContact O-OG1 3.19Å
52A90.3Very high89.5Confident57 Ų5761.8 Ų61.847%0.47135%0.35SS..Hα-helixtrans-60.8-45.7175.900000111.4G48 L49 T55 F56G48-A52 VanDerWaalsContact O-CB 3.32Å; G48-A52 WeakPolarHBondContact O-CB 3.35Å; G48-A52 PolarHBondContact O-N 3.39Å; L49-A52 PolarHBondContact O-N 2.81Å; A52-T55 PolarHBondContact O-N 2.95Å; A52-F56 WeakPolarHBondContact O-CB 3.4Å; A52-F56 PolarHBondContact O-N 2.76Å
53I91.1Very high88.9Confident31 Ų3162.4 Ų62.416%0.15936%0.358CS..Hα-helixtrans-61.5-48.4175.9-70.1164.5000110.8L49 S50 E51 T55 F56 T57 C64 V67 F76L49-I53 HydrophobicContact CD1-CD1 3.94Å; L49-I53 HydrophobicContact CD1-CG1 4.26Å; L49-I53 HydrophobicContact CG-CD1 3.98Å; L49-I53 WeakPolarHBondContact O-CD1 3.48Å; L49-I53 WeakPolarHBondContact O-CG1 3.26Å; L49-I53 PolarHBondContact O-N 3.35Å; S50-I53 PolarHBondContact O-N 2.96Å; E51-I53 PolarHBondContact O-N 3.31Å; I53-T55 PolarHBondContact O-N 3.13Å; I53-F56 PolarHBondContact O-N 3.24Å; I53-T57 HydrophobicContact CG2-CG2 4.36Å; I53-T57 WeakPolarHBondContact O-CB 3.2Å; I53-T57 VanDerWaalsContact O-CG2 3.26Å; I53-T57 WeakPolarHBondContact O-CG2 3.33Å; I53-T57 PolarHBondContact O-N 3.25Å; I53-T57 PolarHBondContact O-OG1 3.44Å; I53-C64 HydrophobicContact CG2-CB 4.33Å; I53-V67 HydrophobicContact CD1-CG2 4.33Å; I53-V67 HydrophobicContact CG2-CG2 3.75Å; I53-F76 HydrophobicContact CB-CZ 4.37Å; I53-F76 HydrophobicContact CD1-CZ 4.26Å; I53-F76 HydrophobicContact CG2-CE2 4.24Å; I53-F76 HydrophobicContact CG2-CZ 3.94Å
54A87Confident88.4Confident9 Ų962.7 Ų62.77%0.07436%0.363CS..Hα-helixtrans-61.2-44.418000000111.5S50 E51 T57 N58S50-A54 WeakPolarHBondContact O-CB 3.24Å; S50-A54 PolarHBondContact O-N 3.32Å; E51-A54 PolarHBondContact O-N 3.39Å; A54-T57 PolarHBondContact O-N 3.21Å; A54-T57 PolarHBondContact O-OG1 2.77Å; A54-T57 VanDerWaalsContact O-OG1 3.11Å; A54-N58 WeakPolarHBondContact O-CB 3.44Å; A54-N58 PolarHBondContact O-N 2.86Å; A54-N58 PolarHBondContact O-ND2 3.42Å; A54-N58 VanDerWaalsContact O-ND2 3.11Å; A54-N58 PolarHBondContact O-OD1 3.46Å
55T86.8Confident88.2Confident94 Ų9465.4 Ų65.458%0.57738%0.381SS*.Hα-helixtrans-65.4-45.8179.1-56.40000111.6E51 A52 I53 N58 S59E51-T55 VanDerWaalsContact O-CB 3.29Å; E51-T55 WeakPolarHBondContact O-CB 3.24Å; E51-T55 PolarHBondContact O-N 3.45Å; E51-T55 PolarHBondContact O-OG1 3.19Å; A52-T55 PolarHBondContact O-N 2.95Å; I53-T55 PolarHBondContact O-N 3.13Å; T55-N58 PolarHBondContact O-N 2.83Å; T55-S59 PolarHBondContact O-N 2.81Å; T55-S59 PolarHBondContact O-OG 2.98Å
56F89.5Confident88Confident134 Ų13462 Ų6259%0.58837%0.366SS*.Hα-helixtrans-60.6-48.5177176.7-105.7000111.5A52 I53 N58 S59 F60A52-F56 WeakPolarHBondContact O-CB 3.4Å; A52-F56 PolarHBondContact O-N 2.76Å; I53-F56 PolarHBondContact O-N 3.24Å; F56-N58 PolarHBondContact O-N 2.66Å; F56-S59 WeakPolarHBondContact O-CB 3.36Å; F56-S59 PolarHBondContact O-N 3.4Å; F56-S59 VanDerWaalsContact O-N 3.11Å; F56-S59 PolarHBondContact O-OG 3.48Å; F56-F60 HydrophobicContact CD1-CE2 4.1Å; F56-F60 HydrophobicContact CD2-CE2 4.35Å; F56-F60 AromaticContact CE1-CE2 3.6Å; F56-F60 HydrophobicContact CE1-CE2 3.6Å; F56-F60 HydrophobicContact CE1-CZ 4.27Å; F56-F60 AromaticContact CE2-CE2 3.89Å; F56-F60 HydrophobicContact CE2-CE2 3.89Å; F56-F60 HydrophobicContact CE2-CZ 4.24Å; F56-F60 HydrophobicContact CG-CE2 4.46Å; F56-F60 AromaticContact CZ-CE2 3.49Å; F56-F60 HydrophobicContact CZ-CE2 3.49Å; F56-F60 VanDerWaalsContact CZ-CE2 3.49Å; F56-F60 AromaticContact CZ-CZ 3.8Å; F56-F60 HydrophobicContact CZ-CZ 3.8Å; F56-F60 WeakPolarHBondContact O-CD2 3.48Å
57T88.7Confident87.8Confident26 Ų2663.2 Ų63.216%0.1637%0.373CS..Hα-helixtrans-69.2-33.6-177.854.10000113.1I53 A54 S59 F60 C64I53-T57 HydrophobicContact CG2-CG2 4.36Å; I53-T57 WeakPolarHBondContact O-CB 3.2Å; I53-T57 VanDerWaalsContact O-CG2 3.26Å; I53-T57 WeakPolarHBondContact O-CG2 3.33Å; I53-T57 PolarHBondContact O-N 3.25Å; I53-T57 PolarHBondContact O-OG1 3.44Å; A54-T57 PolarHBondContact O-N 3.21Å; A54-T57 PolarHBondContact O-OG1 2.77Å; A54-T57 VanDerWaalsContact O-OG1 3.11Å; T57-S59 PolarHBondContact O-N 2.69Å; T57-S59 VanDerWaalsContact O-N 3.13Å; T57-F60 PolarHBondContact O-N 3.33Å; T57-C64 HydrophobicContact CG2-CB 3.51Å; T57-C64 WeakPolarHBondContact OG1-CB 3.43Å; T57-C64 PolarHBondContact OG1-N 2.67Å
58N84Confident87.6Confident77 Ų7767 Ų6741%0.41239%0.386SS..Hα-helixtrans-58.7-25.1171.9-74-21.7000112.8A54 T55 F56 F60 N61A54-N58 WeakPolarHBondContact O-CB 3.44Å; A54-N58 PolarHBondContact O-N 2.86Å; A54-N58 PolarHBondContact O-ND2 3.42Å; A54-N58 VanDerWaalsContact O-ND2 3.11Å; A54-N58 PolarHBondContact O-OD1 3.46Å; T55-N58 PolarHBondContact O-N 2.83Å; F56-N58 PolarHBondContact O-N 2.66Å; N58-F60 PolarHBondContact O-N 3.39Å; N58-N61 PolarHBondContact O-N 3Å
59S87.2Confident87.4Confident91 Ų9168.2 Ų68.264%0.63639%0.388SS*.THydrogen-bonded Turntrans-66.6-18174.6-54.80000113.1T55 F56 T57T55-S59 PolarHBondContact O-N 2.81Å; T55-S59 PolarHBondContact O-OG 2.98Å; F56-S59 WeakPolarHBondContact O-CB 3.36Å; F56-S59 PolarHBondContact O-N 3.4Å; F56-S59 VanDerWaalsContact O-N 3.11Å; F56-S59 PolarHBondContact O-OG 3.48Å; T57-S59 PolarHBondContact O-N 2.69Å; T57-S59 VanDerWaalsContact O-N 3.13Å
60F86.7Confident86.8Confident125 Ų12572.3 Ų72.355%0.54840%0.402SS..THydrogen-bonded Turntrans-9915.9176.6-59.9-86000113F56 T57 N58 S62F56-F60 HydrophobicContact CD1-CE2 4.1Å; F56-F60 HydrophobicContact CD2-CE2 4.35Å; F56-F60 AromaticContact CE1-CE2 3.6Å; F56-F60 HydrophobicContact CE1-CE2 3.6Å; F56-F60 HydrophobicContact CE1-CZ 4.27Å; F56-F60 AromaticContact CE2-CE2 3.89Å; F56-F60 HydrophobicContact CE2-CE2 3.89Å; F56-F60 HydrophobicContact CE2-CZ 4.24Å; F56-F60 HydrophobicContact CG-CE2 4.46Å; F56-F60 AromaticContact CZ-CE2 3.49Å; F56-F60 HydrophobicContact CZ-CE2 3.49Å; F56-F60 VanDerWaalsContact CZ-CE2 3.49Å; F56-F60 AromaticContact CZ-CZ 3.8Å; F56-F60 HydrophobicContact CZ-CZ 3.8Å; F56-F60 WeakPolarHBondContact O-CD2 3.48Å; T57-F60 PolarHBondContact O-N 3.33Å; N58-F60 PolarHBondContact O-N 3.39Å; F60-S62 PolarHBondContact O-N 3.48Å; F60-S62 PolarHBondContact O-OG 2.77Å
61N79.3Confident86.5Confident159 Ų15976.7 Ų76.785%0.8543%0.425SS*.THydrogen-bonded Turntrans5421-178.9-63.3-37.9000114.7N58N58-N61 PolarHBondContact O-N 3Å
62S78.7Confident86.5Confident68 Ų6875.7 Ų75.748%0.47642%0.422SS..SBendtrans-136107.7177.645.20000108.5F60 C64F60-S62 PolarHBondContact O-N 3.48Å; F60-S62 PolarHBondContact O-OG 2.77Å; S62-C64 PolarHBondContact O-N 3.18Å
63P81.4Confident86.6Confident95 Ų9573.2 Ų73.262%0.61740%0.401SS*.  trans-64.3131.1-179.826.4-32.8000109.3T65P63-T65 PolarHBondContact O-N 2.97Å
64C84.6Confident86.7Confident30 Ų3073.6 Ų73.620%0.20340%0.4CS..  trans-67.4119.4175.5-178.70000110.6I53 T57 S62 S66 V67I53-C64 HydrophobicContact CG2-CB 4.33Å; T57-C64 HydrophobicContact CG2-CB 3.51Å; T57-C64 WeakPolarHBondContact OG1-CB 3.43Å; T57-C64 PolarHBondContact OG1-N 2.67Å; S62-C64 PolarHBondContact O-N 3.18Å; C64-S66 PolarHBondContact SG-O 2.93Å; C64-V67 VanDerWaalsContact SG-CG2 3.52Å
65T87.6Confident87.1Confident94 Ų9473.5 Ų73.558%0.57740%0.399SS*.  trans-91.1-27.4174560000111.8P63 L75 F76P63-T65 PolarHBondContact O-N 2.97Å; T65-L75 WeakPolarHBondContact O-CA 3.46Å; T65-L75 WeakPolarHBondContact O-CG 3.35Å; T65-F76 PolarHBondContact O-N 3.25Å
66S90.4Very high87.4Confident34 Ų3469.9 Ų69.924%0.23838%0.375CS..EExtended strand (participates in β ladder)trans-154.3148.2-179.569.30000113.2C64 R74 N110C64-S66 PolarHBondContact SG-O 2.93Å; S66-R74 CarbonylContact C-O 3.51Å; S66-R74 WeakPolarHBondContact CA-O 3.39Å; S66-N110 PolarHBondContact OG-ND2 2.52Å; S66-N110 VanDerWaalsContact OG-ND2 3.11Å
67V91Very high87.6Confident38 Ų3865.9 Ų65.923%0.2336%0.357CS..EExtended strand (participates in β ladder)trans-126.8125.2171.4172.70000109.1I53 C64 T69 K73 R74 F76I53-V67 HydrophobicContact CD1-CG2 4.33Å; I53-V67 HydrophobicContact CG2-CG2 3.75Å; C64-V67 VanDerWaalsContact SG-CG2 3.52Å; V67-T69 HydrophobicContact CG1-CG2 4.49Å; V67-K73 WeakPolarHBondContact O-CA 3.48Å; V67-R74 HydrophobicContact CB-CB 4.39Å; V67-R74 PolarHBondContact N-O 3.02Å; V67-R74 PolarHBondContact O-N 2.89Å; V67-F76 HydrophobicContact CB-CE2 4.33Å; V67-F76 HydrophobicContact CG2-CE2 3.9Å; V67-F76 HydrophobicContact CG2-CZ 4.42Å
68R88Confident87.7Confident84 Ų8467.9 Ų67.932%0.31737%0.373SS..EExtended strand (participates in β ladder)trans-102.5134.2173-176.9176.1173.1162.9-6.8109.7K73 E104 D106R68-K73 HydrophobicContact CB-CG 4.28Å; R68-K73 HydrophobicContact CG-CG 4.12Å; R68-E104 IonicContact CZ-OE2 3.84Å; R68-E104 IonicContact NE-OE2 3.76Å; R68-E104 PolarHBondContact NE-OE2 3.37Å; R68-E104 PolarHBondContact NH2-O 3.48Å; R68-E104 IonicContact NH2-OE2 2.94Å; R68-E104 PolarHBondContact NH2-OE2 3.21Å; R68-D106 IonicContact NH1-OD1 2.75Å; R68-D106 PolarHBondContact NH1-OD1 3.29Å; R68-D106 IonicContact NH1-OD2 3.69Å; R68-D106 PolarHBondContact NH1-OD2 2.81Å
69T86.9Confident88.1Confident61 Ų6165.5 Ų65.537%0.37436%0.36SS..  trans-118.7176.5168.764.90000108.3V67 N71 T72V67-T69 HydrophobicContact CG1-CG2 4.49Å; T69-N71 PolarHBondContact O-N 3.47Å; T69-N71 VanDerWaalsContact O-N 3.13Å; T69-T72 PolarHBondContact N-O 3.45Å; T69-T72 WeakPolarHBondContact OG1-CA 3.48Å; T69-T72 PolarHBondContact OG1-N 2.91Å; T69-T72 PolarHBondContact OG1-O 2.92Å; T69-T72 PolarHBondContact OG1-OG1 3.03Å
70K81.1Confident88.2Confident165 Ų16561.7 Ų61.772%0.71733%0.333SS*.SBendtrans-53.6-35.2178.6-67.9-172.4175.9-174.40114
71N85.8Confident88.2Confident92 Ų9261 Ų6149%0.49234%0.34SS..SBendtrans-123.8-6.9-170.6-628.7000113.5T69 V91T69-N71 PolarHBondContact O-N 3.47Å; T69-N71 VanDerWaalsContact O-N 3.13Å; N71-V91 PolarHBondContact O-N 2.71Å
72T90.1Very high88.6Confident25 Ų2554.5 Ų54.515%0.15331%0.308CS..EExtended strand (participates in β ladder)trans-143.7146.7-175.470.80000112.4L10 T69 V88 I89L10-T72 HydrophobicContact CD1-CG2 3.6Å; T69-T72 PolarHBondContact N-O 3.45Å; T69-T72 WeakPolarHBondContact OG1-CA 3.48Å; T69-T72 PolarHBondContact OG1-N 2.91Å; T69-T72 PolarHBondContact OG1-O 2.92Å; T69-T72 PolarHBondContact OG1-OG1 3.03Å; T72-V88 HydrophobicContact CG2-CG1 4.38Å; T72-I89 CarbonylContact C-O 3.57Å; T72-I89 WeakPolarHBondContact CA-O 3.45Å
73K91.8Very high89.2Confident6 Ų651.3 Ų51.33%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-111.5131165.7-84.7174177.3-144.80108.9V67 R68 V88 I89 V91 D106 L108 N110 I113V67-K73 WeakPolarHBondContact O-CA 3.48Å; R68-K73 HydrophobicContact CB-CG 4.28Å; R68-K73 HydrophobicContact CG-CG 4.12Å; K73-V88 CarbonylContact O-C 3.6Å; K73-V88 WeakPolarHBondContact O-CA 3.34Å; K73-I89 PolarHBondContact N-O 3.32Å; K73-I89 PolarHBondContact O-N 3.14Å; K73-V91 HydrophobicContact CB-CG2 4.05Å; K73-V91 HydrophobicContact CD-CG2 3.84Å; K73-V91 HydrophobicContact CG-CG2 3.58Å; K73-D106 WeakPolarHBondContact CE-OD1 3.34Å; K73-D106 IonicContact NZ-OD1 2.76Å; K73-D106 PolarHBondContact NZ-OD1 2.99Å; K73-D106 IonicContact NZ-OD2 2.75Å; K73-D106 PolarHBondContact NZ-OD2 3.22Å; K73-L108 PolarHBondContact NZ-O 2.98Å; K73-N110 PolarHBondContact NZ-OD1 2.85Å; K73-I113 HydrophobicContact CB-CD1 4.31Å; K73-I113 HydrophobicContact CD-CD1 3.82Å
74R94.3Very high89.8Confident38 Ų3847 Ų4714%0.14326%0.257CS..EExtended strand (participates in β ladder)trans-111.8129.4174.8-55.4-172174.6-140.8-2.9108L49 S66 V67 F76 I87 V88L49-R74 VanDerWaalsContact CD2-NH1 3.33Å; S66-R74 CarbonylContact C-O 3.51Å; S66-R74 WeakPolarHBondContact CA-O 3.39Å; V67-R74 HydrophobicContact CB-CB 4.39Å; V67-R74 PolarHBondContact N-O 3.02Å; V67-R74 PolarHBondContact O-N 2.89Å; R74-F76 HydrophobicContact CB-CE2 4.28Å; R74-F76 HydrophobicContact CB-CZ 4.36Å; R74-I87 CarbonylContact C-O 3.58Å; R74-I87 WeakPolarHBondContact CA-O 3.45Å; R74-V88 HydrophobicContact CB-CG2 4.49Å; R74-V88 HydrophobicContact CG-CB 4.46Å; R74-V88 HydrophobicContact CG-CG1 4.04Å; R74-V88 HydrophobicContact CG-CG2 3.94Å
75L94.6Very high90.3Very high8 Ų845.6 Ų45.64%0.04225%0.247CC..EExtended strand (participates in β ladder)trans-119.3134.7176-158.5101.1000109.4T65 V86 I87 I113 D114 L117T65-L75 WeakPolarHBondContact O-CA 3.46Å; T65-L75 WeakPolarHBondContact O-CG 3.35Å; L75-V86 VanDerWaalsContact O-CA 3.31Å; L75-V86 WeakPolarHBondContact O-CA 3.23Å; L75-I87 HydrophobicContact CB-CG2 3.78Å; L75-I87 PolarHBondContact N-O 3.03Å; L75-I87 PolarHBondContact O-N 3.39Å; L75-I87 VanDerWaalsContact O-N 3.09Å; L75-I113 HydrophobicContact CB-CG2 4.12Å; L75-I113 HydrophobicContact CD1-CG2 4.37Å; L75-I113 HydrophobicContact CD2-CG2 4.22Å; L75-I113 HydrophobicContact CG-CG2 4.47Å; L75-D114 HydrophobicContact CD1-CB 4.43Å; L75-D114 VanDerWaalsContact CD2-CA 3.5Å; L75-D114 HydrophobicContact CD2-CB 3.72Å; L75-L117 HydrophobicContact CD2-CD2 3.91Å
76F93.7Very high90.8Very high17 Ų1741.1 Ų41.18%0.07522%0.22CC..EExtended strand (participates in β ladder)trans-110.4128.4-178.3-54.6-94.2000109.3I53 T65 V67 R74 V86I53-F76 HydrophobicContact CB-CZ 4.37Å; I53-F76 HydrophobicContact CD1-CZ 4.26Å; I53-F76 HydrophobicContact CG2-CE2 4.24Å; I53-F76 HydrophobicContact CG2-CZ 3.94Å; T65-F76 PolarHBondContact O-N 3.25Å; V67-F76 HydrophobicContact CB-CE2 4.33Å; V67-F76 HydrophobicContact CG2-CE2 3.9Å; V67-F76 HydrophobicContact CG2-CZ 4.42Å; R74-F76 HydrophobicContact CB-CE2 4.28Å; R74-F76 HydrophobicContact CB-CZ 4.36Å; F76-V86 HydrophobicContact CD1-CG1 4.23Å; F76-V86 HydrophobicContact CD1-CG2 3.64Å; F76-V86 HydrophobicContact CE1-CG1 4.22Å; F76-V86 HydrophobicContact CE1-CG2 4.16Å; F76-V86 HydrophobicContact CG-CG2 4.49Å
77K93.1Very high91Very high50 Ų5039.5 Ų39.522%0.21721%0.209CC..EExtended strand (participates in β ladder)trans-136.9137.6175.8-166.1178.7-161.7740110.7I85 D114 L117 S118K77-I85 HydrophobicContact CB-CG2 3.8Å; K77-I85 PolarHBondContact N-O 3.3Å; K77-I85 WeakPolarHBondContact O-CG2 3.34Å; K77-I85 PolarHBondContact O-N 2.83Å; K77-I85 VanDerWaalsContact O-O 3.08Å; K77-D114 IonicContact NZ-OD1 3.83Å; K77-D114 PolarHBondContact NZ-OD1 3.47Å; K77-D114 IonicContact NZ-OD2 3.89Å; K77-L117 HydrophobicContact CB-CD2 3.95Å; K77-L117 HydrophobicContact CD-CD2 4.23Å; K77-L117 HydrophobicContact CD-CG 4.32Å; K77-S118 WeakPolarHBondContact CE-OG 3.3Å; K77-S118 PolarHBondContact NZ-OG 3.25Å
78S92.2Very high91.2Very high69 Ų6937.8 Ų37.848%0.48320%0.198SC..EExtended strand (participates in β ladder)trans-90.6120.5176.2-61.20000109.8Q84S78-Q84 PolarHBondContact OG-NE2 3.03Å; S78-Q84 VanDerWaalsContact OG-NE2 3.15Å
79L91.7Very high91.4Very high26 Ų2633.9 Ų33.914%0.13618%0.184CC..SBendtrans-78.7-38.3168.7-67.2177.1000110.2V14 I83 I85 C121 V131V14-L79 HydrophobicContact CG1-CD1 4.09Å; L79-I83 HydrophobicContact CB-CB 4.47Å; L79-I83 HydrophobicContact CB-CG2 4.25Å; L79-I83 HydrophobicContact CD1-CG2 4.08Å; L79-I83 PolarHBondContact N-O 3.44Å; L79-I85 HydrophobicContact CD1-CB 4.12Å; L79-I85 HydrophobicContact CD1-CG2 4.33Å; L79-I85 HydrophobicContact CD2-CG2 4.07Å; L79-I85 HydrophobicContact CG-CB 4.17Å; L79-I85 HydrophobicContact CG-CG2 3.87Å; L79-C121 HydrophobicContact CD2-CB 3.71Å; L79-V131 HydrophobicContact CB-CB 4.42Å; L79-V131 HydrophobicContact CB-CG1 4.36Å; L79-V131 HydrophobicContact CB-CG2 4.27Å; L79-V131 HydrophobicContact CD1-CG2 4.39Å
80T89.5Confident91.5Very high12 Ų1231.7 Ų31.77%0.07417%0.171CC..SBendtrans-143.7170.2171.272.50000107.8S82 I83 V131 T132T80-S82 PolarHBondContact O-N 3.02Å; T80-S82 VanDerWaalsContact OG1-CA 3.27Å; T80-S82 WeakPolarHBondContact OG1-CA 3.36Å; T80-S82 PolarHBondContact OG1-N 3.38Å; T80-I83 PolarHBondContact N-O 2.97Å; T80-I83 VanDerWaalsContact N-O 3.14Å; T80-I83 PolarHBondContact O-N 3.34Å; T80-I83 WeakPolarHBondContact OG1-CB 3.29Å; T80-I83 PolarHBondContact OG1-N 2.76Å; T80-V131 HydrophobicContact CG2-CB 3.74Å; T80-V131 HydrophobicContact CG2-CG1 3.61Å; T80-T132 HydrophobicContact CG2-CG2 3.59Å
81P85.9Confident91.4Very high109 Ų10924.6 Ų24.671%0.70814%0.141SC*.SBendtrans-54.8-36.3168.9-24.735.2000111.9
82S87.6Confident90.7Very high24 Ų2421 Ų2117%0.16812%0.123CC..SBendtrans-50-53.8168.3119.30000119.2T16 R17 D18 T80T16-S82 CarbonylContact C-O 3.5Å; T16-S82 WeakPolarHBondContact CA-O 3.46Å; R17-S82 PolarHBondContact N-O 2.95Å; D18-S82 WeakPolarHBondContact OD2-CB 3.45Å; T80-S82 PolarHBondContact O-N 3.02Å; T80-S82 VanDerWaalsContact OG1-CA 3.27Å; T80-S82 WeakPolarHBondContact OG1-CA 3.36Å; T80-S82 PolarHBondContact OG1-N 3.38Å
83I92.1Very high89.2Confident1 Ų124 Ų241%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-128.9127.8-153.9-63.7178.3000108.8V14 Y15 T16 L31 L79 T80 V131 V135 Y140V14-I83 HydrophobicContact CG1-CG2 3.43Å; V14-I83 VanDerWaalsContact CG1-CG2 3.43Å; Y15-I83 WeakPolarHBondContact O-CA 3.41Å; T16-I83 HydrophobicContact CG2-CG1 4.24Å; L31-I83 HydrophobicContact CD1-CD1 3.75Å; L31-I83 HydrophobicContact CD1-CG1 4.06Å; L31-I83 HydrophobicContact CD1-CG2 3.96Å; L79-I83 HydrophobicContact CB-CB 4.47Å; L79-I83 HydrophobicContact CB-CG2 4.25Å; L79-I83 HydrophobicContact CD1-CG2 4.08Å; L79-I83 PolarHBondContact N-O 3.44Å; T80-I83 PolarHBondContact N-O 2.97Å; T80-I83 VanDerWaalsContact N-O 3.14Å; T80-I83 PolarHBondContact O-N 3.34Å; T80-I83 WeakPolarHBondContact OG1-CB 3.29Å; T80-I83 PolarHBondContact OG1-N 2.76Å; I83-V131 HydrophobicContact CD1-CG1 3.81Å; I83-V135 HydrophobicContact CD1-CG2 3.37Å; I83-Y140 HydrophobicContact CD1-CE1 4.46Å
84Q93.4Very high87.3Confident4 Ų427.5 Ų27.52%0.01917%0.167CC..EExtended strand (participates in β ladder)trans-114.1141-177.1-158.7127.992.300110.3V14 Y15 R17 S78 V86V14-Q84 CarbonylContact C-O 3.51Å; V14-Q84 WeakPolarHBondContact CA-O 3.48Å; V14-Q84 WeakPolarHBondContact CG1-O 3.3Å; Y15-Q84 HydrophobicContact CD1-CB 4.08Å; Y15-Q84 HydrophobicContact CE1-CB 3.68Å; Y15-Q84 HydrophobicContact CE1-CG 3.94Å; Y15-Q84 HydrophobicContact CE2-CB 4.24Å; Y15-Q84 PolarHBondContact N-O 2.87Å; Y15-Q84 PolarHBondContact O-N 3.43Å; Y15-Q84 PolarHBondContact OH-OE1 3.47Å; R17-Q84 VanDerWaalsContact CZ-CD 3.42Å; R17-Q84 VanDerWaalsContact NE-NE2 3.13Å; S78-Q84 PolarHBondContact OG-NE2 3.03Å; S78-Q84 VanDerWaalsContact OG-NE2 3.15Å; Q84-V86 HydrophobicContact CG-CG2 4.37Å
85I96.4Very high84.9Confident0 Ų029.4 Ų29.40%019%0.19CC..EExtended strand (participates in β ladder)trans-115.8135.2167.9-173.4166000108.9L12 F13 V14 K77 L79 L117 F151L12-I85 HydrophobicContact CD1-CD1 4.25Å; L12-I85 HydrophobicContact CD2-CD1 4.14Å; L12-I85 HydrophobicContact CD2-CG1 4.43Å; L12-I85 HydrophobicContact CG-CD1 4.42Å; L12-I85 HydrophobicContact CG-CG1 4.42Å; F13-I85 WeakPolarHBondContact O-CA 3.3Å; V14-I85 HydrophobicContact CG2-CB 4.1Å; V14-I85 HydrophobicContact CG2-CD1 3.88Å; V14-I85 HydrophobicContact CG2-CG1 3.8Å; K77-I85 HydrophobicContact CB-CG2 3.8Å; K77-I85 PolarHBondContact N-O 3.3Å; K77-I85 WeakPolarHBondContact O-CG2 3.34Å; K77-I85 PolarHBondContact O-N 2.83Å; K77-I85 VanDerWaalsContact O-O 3.08Å; L79-I85 HydrophobicContact CD1-CB 4.12Å; L79-I85 HydrophobicContact CD1-CG2 4.33Å; L79-I85 HydrophobicContact CD2-CG2 4.07Å; L79-I85 HydrophobicContact CG-CB 4.17Å; L79-I85 HydrophobicContact CG-CG2 3.87Å; I85-L117 HydrophobicContact CD1-CD1 4.03Å; I85-L117 HydrophobicContact CG1-CD1 4.37Å; I85-L117 HydrophobicContact CG2-CD2 4.42Å; I85-F151 HydrophobicContact CD1-CE1 4.26Å; I85-F151 HydrophobicContact CD1-CE2 4.34Å; I85-F151 HydrophobicContact CD1-CZ 3.79Å
86V96.5Very high82.4Confident0 Ų031.1 Ų31.10%020%0.203CC..EExtended strand (participates in β ladder)trans-128.8133.4179-178.50000108.6L12 F13 Y15 L75 F76 Q84 V88L12-V86 WeakPolarHBondContact CA-O 3.22Å; F13-V86 HydrophobicContact CD2-CB 4.07Å; F13-V86 HydrophobicContact CD2-CG2 4.47Å; F13-V86 HydrophobicContact CE1-CB 4.13Å; F13-V86 HydrophobicContact CE1-CG1 4.05Å; F13-V86 HydrophobicContact CE2-CB 3.55Å; F13-V86 HydrophobicContact CE2-CG1 4.07Å; F13-V86 HydrophobicContact CE2-CG2 3.81Å; F13-V86 HydrophobicContact CZ-CB 3.58Å; F13-V86 HydrophobicContact CZ-CG1 3.57Å; F13-V86 HydrophobicContact CZ-CG2 4.19Å; F13-V86 PolarHBondContact N-O 2.8Å; F13-V86 PolarHBondContact O-N 3.07Å; Y15-V86 HydrophobicContact CE1-CG2 3.86Å; L75-V86 VanDerWaalsContact O-CA 3.31Å; L75-V86 WeakPolarHBondContact O-CA 3.23Å; F76-V86 HydrophobicContact CD1-CG1 4.23Å; F76-V86 HydrophobicContact CD1-CG2 3.64Å; F76-V86 HydrophobicContact CE1-CG1 4.22Å; F76-V86 HydrophobicContact CE1-CG2 4.16Å; F76-V86 HydrophobicContact CG-CG2 4.49Å; Q84-V86 HydrophobicContact CG-CG2 4.37Å; V86-V88 HydrophobicContact CG1-CG2 4.48Å
87I96.1Very high79.7Confident0 Ų035.9 Ų35.90%024%0.238CC..EExtended strand (participates in β ladder)trans-117.7137.1172.9-167.8173.1000109.6V9 L12 R74 L75 I89 I113 L117 M158 F160V9-I87 HydrophobicContact CG1-CD1 4.27Å; V9-I87 HydrophobicContact CG1-CG1 4.05Å; V9-I87 HydrophobicContact CG2-CD1 4.08Å; L12-I87 HydrophobicContact CB-CG1 4.44Å; L12-I87 HydrophobicContact CD1-CB 4.16Å; L12-I87 HydrophobicContact CD1-CD1 4.05Å; L12-I87 HydrophobicContact CD1-CG1 4.08Å; R74-I87 CarbonylContact C-O 3.58Å; R74-I87 WeakPolarHBondContact CA-O 3.45Å; L75-I87 HydrophobicContact CB-CG2 3.78Å; L75-I87 PolarHBondContact N-O 3.03Å; L75-I87 PolarHBondContact O-N 3.39Å; L75-I87 VanDerWaalsContact O-N 3.09Å; I87-I89 HydrophobicContact CD1-CD1 4.22Å; I87-I89 HydrophobicContact CD1-CG1 4.27Å; I87-I89 HydrophobicContact CG1-CD1 4.5Å; I87-I89 HydrophobicContact CG1-CG1 4.11Å; I87-I113 HydrophobicContact CG2-CG2 4.03Å; I87-L117 HydrophobicContact CB-CD1 4.38Å; I87-L117 HydrophobicContact CB-CD2 4.44Å; I87-L117 HydrophobicContact CG2-CD1 4.43Å; I87-L117 HydrophobicContact CG2-CD2 3.83Å; I87-M158 HydrophobicContact CD1-SD 4.44Å; I87-F160 HydrophobicContact CD1-CE2 3.92Å; I87-F160 HydrophobicContact CD1-CZ 3.97Å
88V94.9Very high77.2Confident3 Ų338.5 Ų38.52%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-119.9121.9177.1-173.50000108.5L10 E11 F13 T72 K73 R74 V86L10-V88 HydrophobicContact CB-CG1 4.37Å; L10-V88 PolarHBondContact N-O 3.36Å; E11-V88 HydrophobicContact CB-CB 3.89Å; E11-V88 HydrophobicContact CB-CG2 3.89Å; E11-V88 HydrophobicContact CG-CB 4.43Å; E11-V88 PolarHBondContact N-O 2.78Å; E11-V88 PolarHBondContact O-N 2.88Å; F13-V88 HydrophobicContact CE1-CG2 4.23Å; T72-V88 HydrophobicContact CG2-CG1 4.38Å; K73-V88 CarbonylContact O-C 3.6Å; K73-V88 WeakPolarHBondContact O-CA 3.34Å; R74-V88 HydrophobicContact CB-CG2 4.49Å; R74-V88 HydrophobicContact CG-CB 4.46Å; R74-V88 HydrophobicContact CG-CG1 4.04Å; R74-V88 HydrophobicContact CG-CG2 3.94Å; V86-V88 HydrophobicContact CG1-CG2 4.48Å
89I92.2Very high74.6Confident2 Ų242.2 Ų42.21%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-118.7139.5-175.9-57.1178.2000109.2P7 K8 T72 K73 I87 L108 I113 F160P7-I89 HydrophobicContact CB-CG2 4.01Å; K8-I89 WeakPolarHBondContact O-CA 3.38Å; T72-I89 CarbonylContact C-O 3.57Å; T72-I89 WeakPolarHBondContact CA-O 3.45Å; K73-I89 PolarHBondContact N-O 3.32Å; K73-I89 PolarHBondContact O-N 3.14Å; I87-I89 HydrophobicContact CD1-CD1 4.22Å; I87-I89 HydrophobicContact CD1-CG1 4.27Å; I87-I89 HydrophobicContact CG1-CD1 4.5Å; I87-I89 HydrophobicContact CG1-CG1 4.11Å; I89-L108 HydrophobicContact CD1-CD2 4.16Å; I89-L108 HydrophobicContact CG2-CD2 3.96Å; I89-I113 HydrophobicContact CD1-CB 4.28Å; I89-I113 HydrophobicContact CD1-CD1 4Å; I89-I113 HydrophobicContact CD1-CG1 3.84Å; I89-I113 HydrophobicContact CD1-CG2 3.49Å; I89-I113 VanDerWaalsContact CD1-CG2 3.49Å; I89-F160 HydrophobicContact CD1-CD1 4.04Å; I89-F160 HydrophobicContact CD1-CD2 3.88Å; I89-F160 HydrophobicContact CD1-CE1 3.75Å; I89-F160 HydrophobicContact CD1-CE2 3.57Å; I89-F160 HydrophobicContact CD1-CG 4.1Å; I89-F160 HydrophobicContact CD1-CZ 3.5Å; I89-F160 VanDerWaalsContact CD1-CZ 3.5Å; I89-F160 HydrophobicContact CG1-CE2 4.31Å
90S88.5Confident72.2Confident15 Ų1549.1 Ų49.111%0.10531%0.311CS..EExtended strand (participates in β ladder)trans-68.5133.3171.159.30000111.1R6 P7 K8R6-S90 PolarHBondContact O-OG 2.82Å; P7-S90 WeakPolarHBondContact CA-O 3.29Å; K8-S90 PolarHBondContact N-OG 3.17Å; K8-S90 PolarHBondContact O-N 3.24Å; K8-S90 PolarHBondContact O-OG 2.84Å
91V79.8Confident69.7Low15 Ų1554.4 Ų54.49%0.09134%0.338CS..  trans-105.2117.5170.2-177.50000107.4N71 K73 S93N71-V91 PolarHBondContact O-N 2.71Å; K73-V91 HydrophobicContact CB-CG2 4.05Å; K73-V91 HydrophobicContact CD-CG2 3.84Å; K73-V91 HydrophobicContact CG-CG2 3.58Å; V91-S93 PolarHBondContact O-N 2.94Å
92P69.7Low67.2Low18 Ų1855.4 Ų55.412%0.11734%0.337CS..  trans-63.4119.9174.8-16.128.6000109.7D5 V94D5-P92 HydrophobicContact CB-CB 4.41Å; D5-P92 WeakPolarHBondContact O-CB 3.48Å; D5-P92 WeakPolarHBondContact O-CG 3.27Å; P92-V94 PolarHBondContact O-N 3.3Å
93S60Low64.9Low88 Ų8856.9 Ų56.962%0.61535%0.345SS*.  trans-83.8104.3172.832.40000109.3V91V91-S93 PolarHBondContact O-N 2.94Å
94V51.2Low62.7Low79 Ų7961.7 Ų61.748%0.47937%0.367SS..  trans-98.5107.4170.6-174.50000108P92 S96 Y107P92-V94 PolarHBondContact O-N 3.3Å; V94-S96 VanDerWaalsContact C-N 3.34Å; V94-S96 PolarHBondContact O-N 3.32Å; V94-Y107 HydrophobicContact CB-CE2 4.27Å; V94-Y107 HydrophobicContact CG2-CE2 3.7Å
95A44.2Very low60.6Low77 Ų7764.2 Ų64.264%0.63638%0.381SS*.  trans-72.291.9165.900000108.1S97 L102A95-S97 PolarHBondContact O-N 3.13Å; A95-S97 VanDerWaalsContact O-N 3.14Å; A95-L102 HydrophobicContact CB-CD2 4.25Å
96S42.4Very low58.7Low45 Ų4566.5 Ų66.532%0.31539%0.393SS..  trans-70.6103.8165.153.50000107.9V94 T98V94-S96 VanDerWaalsContact C-N 3.34Å; V94-S96 PolarHBondContact O-N 3.32Å; S96-T98 PolarHBondContact O-N 2.9Å
97S36.8Very low57.1Low116 Ų11670.2 Ų70.281%0.81141%0.408SS*.  trans-76.670.5176.260.30000110.6A95A95-S97 PolarHBondContact O-N 3.13Å; A95-S97 VanDerWaalsContact O-N 3.14Å
98T40.3Very low56Low106 Ų10670.7 Ų70.765%0.6541%0.41SS*.SBendtrans-143.396.4167.744.70000107.9S96S96-T98 PolarHBondContact O-N 2.9Å
99N37.4Very low55.4Low147 Ų14771.1 Ų71.179%0.78641%0.412SS*.SBendtrans69.4141.3-174.5-53.8-32000113.4N101N99-N101 PolarHBondContact O-N 3.43Å
100D40.4Very low55.1Low171 Ų17173.3 Ų73.391%0.91442%0.424SS*.SBendtrans-57.811.6-172-77.5-40.4000116.7L102D100-L102 PolarHBondContact O-N 2.97Å
101N37.7Very low54.9Low123 Ų12375 Ų7566%0.65843%0.432SS*.  trans-90.5100.7165.9-63.3-17.7000107.7N99 V103N99-N101 PolarHBondContact O-N 3.43Å; N101-V103 HydrophobicContact CB-CG2 4.19Å; N101-V103 PolarHBondContact O-N 3.44Å
102L32.7Very low55.3Low130 Ų13074.4 Ų74.468%0.68143%0.428SS*.  trans-5988.6160.9-75.5164.9000107.5A95 D100 E104A95-L102 HydrophobicContact CB-CD2 4.25Å; D100-L102 PolarHBondContact O-N 2.97Å; L102-E104 VanDerWaalsContact C-N 3.34Å; L102-E104 PolarHBondContact O-N 3.12Å
103V40.2Very low56.3Low54 Ų5473.7 Ų73.733%0.32742%0.423SS..  trans-7895.6173.7-171.30000106.5N101 N105 T365N101-V103 HydrophobicContact CB-CG2 4.19Å; N101-V103 PolarHBondContact O-N 3.44Å; V103-N105 VanDerWaalsContact C-N 3.29Å; V103-N105 PolarHBondContact O-N 3.46Å; V103-T365 HydrophobicContact CB-CG2 4.01Å; V103-T365 HydrophobicContact CG1-CG2 3.41Å; V103-T365 VanDerWaalsContact CG1-CG2 3.41Å; V103-T365 HydrophobicContact CG2-CG2 4.22Å
104E45.8Very low57.8Low103 Ų10372.3 Ų72.348%0.48141%0.409SS..  trans-69.686.8178.9-61.7-172.817100109.7R68 L102 D106R68-E104 IonicContact CZ-OE2 3.84Å; R68-E104 IonicContact NE-OE2 3.76Å; R68-E104 PolarHBondContact NE-OE2 3.37Å; R68-E104 PolarHBondContact NH2-O 3.48Å; R68-E104 IonicContact NH2-OE2 2.94Å; R68-E104 PolarHBondContact NH2-OE2 3.21Å; L102-E104 VanDerWaalsContact C-N 3.34Å; L102-E104 PolarHBondContact O-N 3.12Å; E104-D106 PolarHBondContact O-N 3.21Å
105N48.9Very low59.7Low57 Ų5769.2 Ų69.231%0.30539%0.391SS..  trans-48.4115.3171.7-75.93000109.1V103 Y107 T365V103-N105 VanDerWaalsContact C-N 3.29Å; V103-N105 PolarHBondContact O-N 3.46Å; N105-Y107 HydrophobicContact CB-CD2 4.07Å; N105-Y107 HydrophobicContact CB-CE2 3.71Å; N105-Y107 VanDerWaalsContact O-CD2 3.25Å; N105-Y107 WeakPolarHBondContact O-CD2 3.48Å; N105-Y107 PolarHBondContact O-N 3Å; N105-T365 PolarHBondContact OD1-OG1 2.79Å
106D57Low61.8Low48 Ų4866.2 Ų66.226%0.25736%0.364SS..  trans-76.179.1177.2-161.4-6.9000109.5R68 K73 E104 L108R68-D106 IonicContact NH1-OD1 2.75Å; R68-D106 PolarHBondContact NH1-OD1 3.29Å; R68-D106 IonicContact NH1-OD2 3.69Å; R68-D106 PolarHBondContact NH1-OD2 2.81Å; K73-D106 WeakPolarHBondContact CE-OD1 3.34Å; K73-D106 IonicContact NZ-OD1 2.76Å; K73-D106 PolarHBondContact NZ-OD1 2.99Å; K73-D106 IonicContact NZ-OD2 2.75Å; K73-D106 PolarHBondContact NZ-OD2 3.22Å; E104-D106 PolarHBondContact O-N 3.21Å; D106-L108 PolarHBondContact O-N 2.94Å
107Y62.4Low64.2Low78 Ų7864 Ų6431%0.30635%0.349SS..SBendtrans-58.9-12-176.8-77.5-78.4000114.3V94 N105V94-Y107 HydrophobicContact CB-CE2 4.27Å; V94-Y107 HydrophobicContact CG2-CE2 3.7Å; N105-Y107 HydrophobicContact CB-CD2 4.07Å; N105-Y107 HydrophobicContact CB-CE2 3.71Å; N105-Y107 VanDerWaalsContact O-CD2 3.25Å; N105-Y107 WeakPolarHBondContact O-CD2 3.48Å; N105-Y107 PolarHBondContact O-N 3Å
108L74Confident66.8Low9 Ų959.3 Ų59.35%0.04732%0.316CS..SBendtrans-149.996.2-178.3-173.565.3000110.5P7 K73 I89 D106 I112 I113 F160P7-L108 HydrophobicContact CB-CD2 4.12Å; K73-L108 PolarHBondContact NZ-O 2.98Å; I89-L108 HydrophobicContact CD1-CD2 4.16Å; I89-L108 HydrophobicContact CG2-CD2 3.96Å; D106-L108 PolarHBondContact O-N 2.94Å; L108-I112 HydrophobicContact CD1-CB 4.2Å; L108-I112 HydrophobicContact CD1-CD1 4.29Å; L108-I112 HydrophobicContact CD1-CG2 3.9Å; L108-I113 HydrophobicContact CD1-CG1 4.45Å; L108-I113 HydrophobicContact CD2-CD1 3.75Å; L108-I113 HydrophobicContact CD2-CG1 3.6Å; L108-I113 HydrophobicContact CG-CD1 3.88Å; L108-I113 HydrophobicContact CG-CG1 3.67Å; L108-F160 HydrophobicContact CD1-CD1 4.21Å; L108-F160 HydrophobicContact CD2-CB 4.04Å; L108-F160 HydrophobicContact CD2-CD1 3.82Å; L108-F160 HydrophobicContact CD2-CG 4.1Å
109H81Confident69.2Low12 Ų1255 Ų556%0.05629%0.289CS..  trans-53.3142.5176.5-85.1-78.6000112.9D111 I112 I113 V429 N430 E433H109-D111 PolarHBondContact O-N 3.11Å; H109-I112 HydrophobicContact CB-CD1 4.1Å; H109-I112 HydrophobicContact CB-CG1 4.17Å; H109-I112 WeakPolarHBondContact O-CB 3.42Å; H109-I112 PolarHBondContact O-N 3.46Å; H109-I112 VanDerWaalsContact O-N 3.13Å; H109-I113 PolarHBondContact O-N 2.95Å; H109-V429 HydrophobicContact CB-CG1 3.51Å; H109-N430 VanDerWaalsContact CE1-CG 3.47Å; H109-N430 PolarHBondContact CE1-OD1 3.36Å; H109-N430 PolarHBondContact NE2-ND2 2.64Å; H109-N430 PolarHBondContact NE2-OD1 3.08Å; H109-E433 IonicContact CE1-OE1 2.6Å; H109-E433 IonicContact CE1-OE2 3.33Å; H109-E433 IonicContact CG-OE1 3.8Å; H109-E433 IonicContact ND1-OE1 2.85Å; H109-E433 PolarHBondContact ND1-OE1 2.92Å; H109-E433 IonicContact ND1-OE2 3.91Å
110N85.9Confident71.7Confident48 Ų4848 Ų4826%0.25725%0.251SS..Hα-helixtrans-61.5-33.9179.7-68.5-10.7000111.6S66 K73 I112 I113 D114S66-N110 PolarHBondContact OG-ND2 2.52Å; S66-N110 VanDerWaalsContact OG-ND2 3.11Å; K73-N110 PolarHBondContact NZ-OD1 2.85Å; N110-I112 VanDerWaalsContact C-N 3.3Å; N110-I112 PolarHBondContact O-N 3.27Å; N110-I113 PolarHBondContact O-N 3.13Å; N110-I113 VanDerWaalsContact O-N 3.15Å; N110-D114 PolarHBondContact O-N 2.67Å
111D85.7Confident74.2Confident52 Ų5240.2 Ų40.228%0.27821%0.21SC..Hα-helixtrans-58.4-39.6175.3-83.918.4000112.7H109 S115 R432H109-D111 PolarHBondContact O-N 3.11Å; D111-S115 VanDerWaalsContact O-CB 3.3Å; D111-S115 WeakPolarHBondContact O-CB 3.48Å; D111-S115 PolarHBondContact O-N 2.79Å; D111-R432 IonicContact OD2-NH1 2.95Å; D111-R432 PolarHBondContact OD2-NH1 2.86Å
112I88.6Confident76.7Confident2 Ų237.7 Ų37.71%0.0119%0.194CC..Hα-helixtrans-65.9-46.2176.4-60.9171000109.2L108 H109 N110 S115 V116 C163 C168 V429L108-I112 HydrophobicContact CD1-CB 4.2Å; L108-I112 HydrophobicContact CD1-CD1 4.29Å; L108-I112 HydrophobicContact CD1-CG2 3.9Å; H109-I112 HydrophobicContact CB-CD1 4.1Å; H109-I112 HydrophobicContact CB-CG1 4.17Å; H109-I112 WeakPolarHBondContact O-CB 3.42Å; H109-I112 PolarHBondContact O-N 3.46Å; H109-I112 VanDerWaalsContact O-N 3.13Å; N110-I112 VanDerWaalsContact C-N 3.3Å; N110-I112 PolarHBondContact O-N 3.27Å; I112-S115 PolarHBondContact O-N 2.81Å; I112-V116 HydrophobicContact CG2-CG2 4.34Å; I112-V116 VanDerWaalsContact O-CG2 3.29Å; I112-V116 WeakPolarHBondContact O-CG2 3.46Å; I112-V116 PolarHBondContact O-N 2.84Å; I112-C163 HydrophobicContact CG2-CB 3.41Å; I112-C163 VanDerWaalsContact CG2-CB 3.41Å; I112-C168 WeakPolarHBondContact CG1-SG 3.31Å; I112-V429 HydrophobicContact CD1-CG2 4.15Å
113I90.2Very high79.4Confident3 Ų331.7 Ų31.72%0.01516%0.163CC..Hα-helixtrans-62.3-47.6-178.6-57.4168.8000110.7K73 L75 I87 I89 L108 H109 N110 S115 V116 L117 F160K73-I113 HydrophobicContact CB-CD1 4.31Å; K73-I113 HydrophobicContact CD-CD1 3.82Å; L75-I113 HydrophobicContact CB-CG2 4.12Å; L75-I113 HydrophobicContact CD1-CG2 4.37Å; L75-I113 HydrophobicContact CD2-CG2 4.22Å; L75-I113 HydrophobicContact CG-CG2 4.47Å; I87-I113 HydrophobicContact CG2-CG2 4.03Å; I89-I113 HydrophobicContact CD1-CB 4.28Å; I89-I113 HydrophobicContact CD1-CD1 4Å; I89-I113 HydrophobicContact CD1-CG1 3.84Å; I89-I113 HydrophobicContact CD1-CG2 3.49Å; I89-I113 VanDerWaalsContact CD1-CG2 3.49Å; L108-I113 HydrophobicContact CD1-CG1 4.45Å; L108-I113 HydrophobicContact CD2-CD1 3.75Å; L108-I113 HydrophobicContact CD2-CG1 3.6Å; L108-I113 HydrophobicContact CG-CD1 3.88Å; L108-I113 HydrophobicContact CG-CG1 3.67Å; H109-I113 PolarHBondContact O-N 2.95Å; N110-I113 PolarHBondContact O-N 3.13Å; N110-I113 VanDerWaalsContact O-N 3.15Å; I113-S115 VanDerWaalsContact C-N 3.35Å; I113-V116 PolarHBondContact O-N 2.99Å; I113-L117 WeakPolarHBondContact O-CB 3.48Å; I113-L117 PolarHBondContact O-N 2.98Å; I113-F160 HydrophobicContact CB-CE1 4.49Å; I113-F160 HydrophobicContact CG1-CE1 4.34Å; I113-F160 HydrophobicContact CG2-CE1 4.42Å
114D91.4Very high81.9Confident58 Ų5829.3 Ų29.331%0.3115%0.148SC..Hα-helixtrans-63.8-41.1177.8-176.153.7000111.4L75 K77 N110 L117 S118L75-D114 HydrophobicContact CD1-CB 4.43Å; L75-D114 VanDerWaalsContact CD2-CA 3.5Å; L75-D114 HydrophobicContact CD2-CB 3.72Å; K77-D114 IonicContact NZ-OD1 3.83Å; K77-D114 PolarHBondContact NZ-OD1 3.47Å; K77-D114 IonicContact NZ-OD2 3.89Å; N110-D114 PolarHBondContact O-N 2.67Å; D114-L117 PolarHBondContact O-N 2.87Å; D114-S118 VanDerWaalsContact O-CB 3.24Å; D114-S118 WeakPolarHBondContact O-CB 3.13Å; D114-S118 PolarHBondContact O-N 2.88Å; D114-S118 PolarHBondContact O-OG 3.37Å
115S90Very high84.1Confident15 Ų1525.5 Ų25.511%0.10513%0.131CC..Hα-helixtrans-62.7-49.3177.4-168.20000111.7D111 I112 I113 L117 S118 I119 D167D111-S115 VanDerWaalsContact O-CB 3.3Å; D111-S115 WeakPolarHBondContact O-CB 3.48Å; D111-S115 PolarHBondContact O-N 2.79Å; I112-S115 PolarHBondContact O-N 2.81Å; I113-S115 VanDerWaalsContact C-N 3.35Å; S115-L117 VanDerWaalsContact C-N 3.33Å; S115-L117 PolarHBondContact O-N 2.96Å; S115-S118 WeakPolarHBondContact O-CB 3.38Å; S115-S118 PolarHBondContact O-N 3.43Å; S115-S118 VanDerWaalsContact O-N 3.14Å; S115-I119 VanDerWaalsContact O-CG1 3.23Å; S115-I119 WeakPolarHBondContact O-CG1 3.5Å; S115-I119 PolarHBondContact O-N 2.88Å; S115-D167 WeakPolarHBondContact CB-O 3.18Å; S115-D167 PolarHBondContact OG-O 2.99Å
116V89.4Confident86.1Confident13 Ų1323.2 Ų23.28%0.07912%0.119CC..Hα-helixtrans-61.4-42179.11730000111.5I112 I113 A120 M158 F160 C163 D167I112-V116 HydrophobicContact CG2-CG2 4.34Å; I112-V116 VanDerWaalsContact O-CG2 3.29Å; I112-V116 WeakPolarHBondContact O-CG2 3.46Å; I112-V116 PolarHBondContact O-N 2.84Å; I113-V116 PolarHBondContact O-N 2.99Å; V116-A120 PolarHBondContact O-N 3.03Å; V116-A120 VanDerWaalsContact O-N 3.16Å; V116-M158 HydrophobicContact CG1-CE 4.35Å; V116-M158 HydrophobicContact CG1-CG 4.17Å; V116-M158 HydrophobicContact CG1-SD 4.42Å; V116-F160 HydrophobicContact CB-CE1 3.79Å; V116-F160 HydrophobicContact CB-CZ 4.09Å; V116-F160 HydrophobicContact CG1-CE1 3.77Å; V116-F160 HydrophobicContact CG1-CZ 3.67Å; V116-F160 HydrophobicContact CG2-CE1 4.09Å; V116-C163 HydrophobicContact CG2-CB 4.47Å; V116-D167 HydrophobicContact CG2-CB 4.16Å
117L92.8Very high87.8Confident0 Ų022.3 Ų22.30%011%0.112CC..Hα-helixtrans-65.9-41.3175.6-176.164.2000111.5L12 L75 K77 I85 I87 I113 D114 S115 A120 C121L12-L117 HydrophobicContact CD1-CD1 3.96Å; L75-L117 HydrophobicContact CD2-CD2 3.91Å; K77-L117 HydrophobicContact CB-CD2 3.95Å; K77-L117 HydrophobicContact CD-CD2 4.23Å; K77-L117 HydrophobicContact CD-CG 4.32Å; I85-L117 HydrophobicContact CD1-CD1 4.03Å; I85-L117 HydrophobicContact CG1-CD1 4.37Å; I85-L117 HydrophobicContact CG2-CD2 4.42Å; I87-L117 HydrophobicContact CB-CD1 4.38Å; I87-L117 HydrophobicContact CB-CD2 4.44Å; I87-L117 HydrophobicContact CG2-CD1 4.43Å; I87-L117 HydrophobicContact CG2-CD2 3.83Å; I113-L117 WeakPolarHBondContact O-CB 3.48Å; I113-L117 PolarHBondContact O-N 2.98Å; D114-L117 PolarHBondContact O-N 2.87Å; S115-L117 VanDerWaalsContact C-N 3.33Å; S115-L117 PolarHBondContact O-N 2.96Å; L117-A120 WeakPolarHBondContact O-CB 3.37Å; L117-A120 PolarHBondContact O-N 3.23Å; L117-C121 PolarHBondContact O-N 3.45Å; L117-C121 PolarHBondContact O-SG 3.25Å
118S91.7Very high89.1Confident16 Ų1619.9 Ų19.911%0.11210%0.104CC..Hα-helixtrans-59.3-49.4177.2-60.30000111.2K77 D114 S115 A120 C121 E122K77-S118 WeakPolarHBondContact CE-OG 3.3Å; K77-S118 PolarHBondContact NZ-OG 3.25Å; D114-S118 VanDerWaalsContact O-CB 3.24Å; D114-S118 WeakPolarHBondContact O-CB 3.13Å; D114-S118 PolarHBondContact O-N 2.88Å; D114-S118 PolarHBondContact O-OG 3.37Å; S115-S118 WeakPolarHBondContact O-CB 3.38Å; S115-S118 PolarHBondContact O-N 3.43Å; S115-S118 VanDerWaalsContact O-N 3.14Å; S118-A120 PolarHBondContact O-N 3.37Å; S118-C121 PolarHBondContact O-N 3.16Å; S118-C121 VanDerWaalsContact O-N 3.11Å; S118-E122 WeakPolarHBondContact O-CB 3.32Å; S118-E122 VanDerWaalsContact O-CG 3.27Å; S118-E122 WeakPolarHBondContact O-CG 3.22Å; S118-E122 PolarHBondContact O-N 2.83Å
119I89.8Confident90Very high16 Ų1619.4 Ų19.48%0.08210%0.101CC..Hα-helixtrans-56.2-42.8177.3-66.8163000110.5S115 E122 T123 N170S115-I119 VanDerWaalsContact O-CG1 3.23Å; S115-I119 WeakPolarHBondContact O-CG1 3.5Å; S115-I119 PolarHBondContact O-N 2.88Å; I119-E122 PolarHBondContact O-N 2.93Å; I119-T123 VanDerWaalsContact O-CB 3.22Å; I119-T123 WeakPolarHBondContact O-CB 3.46Å; I119-T123 PolarHBondContact O-N 3.37Å; I119-T123 PolarHBondContact O-OG1 2.84Å; I119-N170 HydrophobicContact CD1-CB 3.94Å; I119-N170 WeakPolarHBondContact CD1-OD1 3.45Å; I119-N170 HydrophobicContact CG1-CB 4.29Å; I119-N170 VanDerWaalsContact CG1-CG 3.49Å; I119-N170 WeakPolarHBondContact CG1-ND2 3.06Å
120A90.8Very high90.5Very high0 Ų022.7 Ų22.70%012%0.115CC..Hα-helixtrans-65.9-41.8178.900000112.8V116 L117 S118 T123 F124 F150 F151 Y154 M158V116-A120 PolarHBondContact O-N 3.03Å; V116-A120 VanDerWaalsContact O-N 3.16Å; L117-A120 WeakPolarHBondContact O-CB 3.37Å; L117-A120 PolarHBondContact O-N 3.23Å; S118-A120 PolarHBondContact O-N 3.37Å; A120-T123 PolarHBondContact O-N 2.98Å; A120-F124 WeakPolarHBondContact O-CB 3.24Å; A120-F124 PolarHBondContact O-N 3.46Å; A120-F150 WeakPolarHBondContact O-CE1 3.47Å; A120-F151 HydrophobicContact CB-CE1 4.24Å; A120-Y154 HydrophobicContact CB-CD1 3.9Å; A120-Y154 HydrophobicContact CB-CE1 3.38Å; A120-M158 HydrophobicContact CB-CE 3.1Å
121C92.9Very high90.7Very high7 Ų720.6 Ų20.65%0.04710%0.104CC..Hα-helixtrans-64.9-45.6176.2-62.40000111.1L79 L117 S118 T123 F124 E125L79-C121 HydrophobicContact CD2-CB 3.71Å; L117-C121 PolarHBondContact O-N 3.45Å; L117-C121 PolarHBondContact O-SG 3.25Å; S118-C121 PolarHBondContact O-N 3.16Å; S118-C121 VanDerWaalsContact O-N 3.11Å; C121-T123 VanDerWaalsContact C-N 3.33Å; C121-T123 PolarHBondContact O-N 3.46Å; C121-F124 WeakPolarHBondContact O-CB 3.43Å; C121-F124 PolarHBondContact O-N 3.07Å; C121-E125 WeakPolarHBondContact O-CG 3.34Å; C121-E125 PolarHBondContact O-N 2.89Å
122E90.4Very high90.9Very high70 Ų7021 Ų2133%0.32711%0.108SC..Hα-helixtrans-63.6-40.4177.4-69.8165.7168.200111.4S118 I119 E125 L126 H222S118-E122 WeakPolarHBondContact O-CB 3.32Å; S118-E122 VanDerWaalsContact O-CG 3.27Å; S118-E122 WeakPolarHBondContact O-CG 3.22Å; S118-E122 PolarHBondContact O-N 2.83Å; I119-E122 PolarHBondContact O-N 2.93Å; E122-E125 PolarHBondContact O-N 2.83Å; E122-L126 WeakPolarHBondContact O-CB 3.35Å; E122-L126 PolarHBondContact O-N 2.89Å; E122-H222 IonicContact OE2-CE1 3.26Å; E122-H222 PolarHBondContact OE2-CE1 3.3Å; E122-H222 IonicContact OE2-ND1 2.69Å
123T89.6Confident90.9Very high4 Ų423 Ų233%0.02512%0.118CC..Hα-helixtrans-66.3-39.4175.1-56.10000111I119 A120 C121 L126 F127 F150 Y154I119-T123 VanDerWaalsContact O-CB 3.22Å; I119-T123 WeakPolarHBondContact O-CB 3.46Å; I119-T123 PolarHBondContact O-N 3.37Å; I119-T123 PolarHBondContact O-OG1 2.84Å; A120-T123 PolarHBondContact O-N 2.98Å; C121-T123 VanDerWaalsContact C-N 3.33Å; C121-T123 PolarHBondContact O-N 3.46Å; T123-L126 WeakPolarHBondContact O-CB 3.07Å; T123-L126 PolarHBondContact O-N 2.82Å; T123-F127 HydrophobicContact CG2-CD2 4.06Å; T123-F127 HydrophobicContact CG2-CE2 3.94Å; T123-F127 VanDerWaalsContact O-CD2 3.3Å; T123-F127 WeakPolarHBondContact O-CD2 3.46Å; T123-F127 PolarHBondContact O-N 3.24Å; T123-F150 HydrophobicContact CG2-CE2 4.04Å; T123-F150 HydrophobicContact CG2-CZ 4.01Å; T123-Y154 HydrophobicContact CG2-CE2 4.01Å
124F91.9Very high90.7Very high4 Ų423 Ų232%0.01812%0.118CC..Hα-helixtrans-57.5-51172.4172.9-98.8000110.9A120 C121 L126 F127 H128 V131 K146 L147 F150 F151A120-F124 WeakPolarHBondContact O-CB 3.24Å; A120-F124 PolarHBondContact O-N 3.46Å; C121-F124 WeakPolarHBondContact O-CB 3.43Å; C121-F124 PolarHBondContact O-N 3.07Å; F124-L126 VanDerWaalsContact C-N 3.3Å; F124-L126 PolarHBondContact O-N 2.93Å; F124-F127 PolarHBondContact O-N 3.25Å; F124-H128 HydrophobicContact CD2-CB 4.48Å; F124-H128 AromaticContact CD2-ND1 3.53Å; F124-H128 HydrophobicContact CE1-CB 4.33Å; F124-H128 HydrophobicContact CE2-CB 4.08Å; F124-H128 AromaticContact CE2-CG 3.76Å; F124-H128 AromaticContact CE2-ND1 3.66Å; F124-H128 HydrophobicContact CZ-CB 4Å; F124-H128 WeakPolarHBondContact O-CB 3.18Å; F124-H128 PolarHBondContact O-N 2.74Å; F124-H128 PolarHBondContact O-ND1 2.85Å; F124-V131 HydrophobicContact CD1-CG2 4.22Å; F124-V131 HydrophobicContact CE1-CG2 3.99Å; F124-K146 HydrophobicContact CE2-CB 4.15Å; F124-K146 HydrophobicContact CZ-CB 4.15Å; F124-L147 HydrophobicContact CD2-CD2 4.35Å; F124-L147 HydrophobicContact CE1-CD2 4.02Å; F124-L147 HydrophobicContact CE2-CD2 3.84Å; F124-L147 HydrophobicContact CE2-CG 4.36Å; F124-L147 HydrophobicContact CZ-CD2 3.65Å; F124-L147 HydrophobicContact CZ-CG 4.11Å; F124-F150 HydrophobicContact CB-CD1 3.85Å; F124-F150 HydrophobicContact CB-CE1 3.66Å; F124-F150 HydrophobicContact CB-CE2 4.48Å; F124-F150 HydrophobicContact CB-CG 4.35Å; F124-F150 HydrophobicContact CB-CZ 4Å; F124-F150 HydrophobicContact CD2-CB 3.74Å; F124-F150 AromaticContact CD2-CD1 3.67Å; F124-F150 HydrophobicContact CD2-CD1 3.67Å; F124-F150 HydrophobicContact CD2-CD2 4.35Å; F124-F150 HydrophobicContact CD2-CE1 4.37Å; F124-F150 AromaticContact CD2-CG 3.66Å; F124-F150 HydrophobicContact CD2-CG 3.66Å; F124-F150 HydrophobicContact CE2-CB 4.15Å; F124-F150 HydrophobicContact CG-CD1 4.22Å; F124-F151 HydrophobicContact CD2-CE2 4.39Å; F124-F151 HydrophobicContact CG-CE2 4.46Å
125E92.2Very high90.5Very high24 Ų2421.8 Ų21.811%0.11211%0.113CC..Hα-helixtrans-64.4-34-179.8-69.2-165.9131.700113.1C121 E122 F127 G129 K130 V131 C274C121-E125 WeakPolarHBondContact O-CG 3.34Å; C121-E125 PolarHBondContact O-N 2.89Å; E122-E125 PolarHBondContact O-N 2.83Å; E125-F127 VanDerWaalsContact C-N 3.3Å; E125-F127 PolarHBondContact O-N 2.99Å; E125-G129 VanDerWaalsContact CA-O 3.31Å; E125-G129 WeakPolarHBondContact CA-O 3.29Å; E125-G129 CarbonylContact O-C 3.56Å; E125-G129 WeakPolarHBondContact O-CA 3.44Å; E125-G129 PolarHBondContact O-N 3.45Å; E125-K130 HydrophobicContact CB-CD 4.27Å; E125-K130 VanDerWaalsContact CD-CD 3.49Å; E125-K130 HydrophobicContact CG-CD 4.4Å; E125-K130 WeakPolarHBondContact OE1-CA 3.37Å; E125-K130 WeakPolarHBondContact OE1-CD 3.46Å; E125-K130 WeakPolarHBondContact OE2-CD 3.24Å; E125-K130 IonicContact OE2-NZ 2.82Å; E125-K130 PolarHBondContact OE2-NZ 3.35Å; E125-V131 HydrophobicContact CG-CG2 4Å; E125-V131 PolarHBondContact OE1-N 3.17Å; E125-C274 PolarHBondContact O-SG 2.89Å
126L91.2Very high90.3Very high9 Ų928.2 Ų28.25%0.04714%0.139CC..Hα-helixtrans-56.5-45.1176.1-178.367000111.2E122 T123 F124 Y219 H222 I223 I273 C274E122-L126 WeakPolarHBondContact O-CB 3.35Å; E122-L126 PolarHBondContact O-N 2.89Å; T123-L126 WeakPolarHBondContact O-CB 3.07Å; T123-L126 PolarHBondContact O-N 2.82Å; F124-L126 VanDerWaalsContact C-N 3.3Å; F124-L126 PolarHBondContact O-N 2.93Å; L126-Y219 HydrophobicContact CD1-CE2 3.7Å; L126-Y219 WeakPolarHBondContact CD1-OH 3.5Å; L126-H222 HydrophobicContact CD2-CB 3.79Å; L126-I223 HydrophobicContact CD2-CG1 4.39Å; L126-I273 HydrophobicContact CD1-CG2 3.36Å; L126-I273 HydrophobicContact CG-CG2 3.68Å; L126-I273 CarbonylContact O-C 3.54Å; L126-I273 WeakPolarHBondContact O-CA 3.37Å; L126-C274 PolarHBondContact O-N 3.28Å
127F91.2Very high90Very high29 Ų2931.3 Ų31.313%0.12716%0.158CC..Hα-helixtrans-90.9-24.2-176.7-72.8-76000114.4T123 F124 E125 Y226 P271 I273 P281T123-F127 HydrophobicContact CG2-CD2 4.06Å; T123-F127 HydrophobicContact CG2-CE2 3.94Å; T123-F127 VanDerWaalsContact O-CD2 3.3Å; T123-F127 WeakPolarHBondContact O-CD2 3.46Å; T123-F127 PolarHBondContact O-N 3.24Å; F124-F127 PolarHBondContact O-N 3.25Å; E125-F127 VanDerWaalsContact C-N 3.3Å; E125-F127 PolarHBondContact O-N 2.99Å; F127-Y226 HydrophobicContact CE1-CE2 4.49Å; F127-Y226 AromaticContact CE2-CD2 3.71Å; F127-Y226 HydrophobicContact CE2-CD2 3.71Å; F127-Y226 AromaticContact CE2-CE2 3.96Å; F127-Y226 HydrophobicContact CE2-CE2 3.96Å; F127-Y226 HydrophobicContact CE2-CG 4.13Å; F127-Y226 AromaticContact CZ-CD1 4Å; F127-Y226 HydrophobicContact CZ-CD1 4Å; F127-Y226 AromaticContact CZ-CD2 3.64Å; F127-Y226 HydrophobicContact CZ-CD2 3.64Å; F127-Y226 AromaticContact CZ-CE1 3.97Å; F127-Y226 HydrophobicContact CZ-CE1 3.97Å; F127-Y226 AromaticContact CZ-CE2 3.62Å; F127-Y226 HydrophobicContact CZ-CE2 3.62Å; F127-Y226 AromaticContact CZ-CG 3.84Å; F127-Y226 HydrophobicContact CZ-CG 3.84Å; F127-Y226 AromaticContact CZ-CZ 3.78Å; F127-P271 HydrophobicContact CD1-CB 4.29Å; F127-P271 HydrophobicContact CE1-CB 3.96Å; F127-I273 HydrophobicContact CD1-CD1 4.25Å; F127-I273 HydrophobicContact CD1-CG1 3.79Å; F127-I273 HydrophobicContact CE1-CD1 3.61Å; F127-I273 HydrophobicContact CE1-CG1 3.65Å; F127-I273 HydrophobicContact CZ-CD1 4.07Å; F127-I273 HydrophobicContact CZ-CG1 4.49Å; F127-P281 WeakPolarHBondContact O-CG 3.31Å
128H91.1Very high89.3Confident26 Ų2633.2 Ų33.212%0.1217%0.17CC..Hα-helixtrans-114.6-13.1-169.7-62.389.9000115F124 I134 K146 F150F124-H128 HydrophobicContact CD2-CB 4.48Å; F124-H128 AromaticContact CD2-ND1 3.53Å; F124-H128 HydrophobicContact CE1-CB 4.33Å; F124-H128 HydrophobicContact CE2-CB 4.08Å; F124-H128 AromaticContact CE2-CG 3.76Å; F124-H128 AromaticContact CE2-ND1 3.66Å; F124-H128 HydrophobicContact CZ-CB 4Å; F124-H128 WeakPolarHBondContact O-CB 3.18Å; F124-H128 PolarHBondContact O-N 2.74Å; F124-H128 PolarHBondContact O-ND1 2.85Å; H128-I134 HydrophobicContact CB-CD1 4.39Å; H128-I134 VanDerWaalsContact O-CD1 3.29Å; H128-I134 WeakPolarHBondContact O-CD1 3.3Å; H128-K146 HydrophobicContact CB-CD 4.22Å; H128-K146 PolarHBondContact O-NZ 3.45Å; H128-K146 VanDerWaalsContact O-NZ 3.09Å; H128-F150 AromaticContact CE1-CD2 3.88Å
129G91.6Very high88.8Confident0 Ų037.4 Ų37.40%019%0.191CC..  trans105.5158.2-169.500000112.6E125 V131 I134 C274 H279E125-G129 VanDerWaalsContact CA-O 3.31Å; E125-G129 WeakPolarHBondContact CA-O 3.29Å; E125-G129 CarbonylContact O-C 3.56Å; E125-G129 WeakPolarHBondContact O-CA 3.44Å; E125-G129 PolarHBondContact O-N 3.45Å; G129-V131 PolarHBondContact O-N 3.44Å; G129-I134 WeakPolarHBondContact O-CD1 3.44Å; G129-C274 WeakPolarHBondContact CA-SG 3.18Å; G129-H279 CarbonylContact C-O 3.59Å; G129-H279 VanDerWaalsContact CA-O 3.31Å; G129-H279 WeakPolarHBondContact CA-O 3.29Å
130K91.5Very high88.6Confident81 Ų8137.4 Ų37.435%0.35219%0.191SC..  trans-61.3131.2170.5-69.6-64.9179-1780109.8E125 T132 E133 I134 H279E125-K130 HydrophobicContact CB-CD 4.27Å; E125-K130 VanDerWaalsContact CD-CD 3.49Å; E125-K130 HydrophobicContact CG-CD 4.4Å; E125-K130 WeakPolarHBondContact OE1-CA 3.37Å; E125-K130 WeakPolarHBondContact OE1-CD 3.46Å; E125-K130 WeakPolarHBondContact OE2-CD 3.24Å; E125-K130 IonicContact OE2-NZ 2.82Å; E125-K130 PolarHBondContact OE2-NZ 3.35Å; K130-T132 PolarHBondContact O-N 2.84Å; K130-T132 VanDerWaalsContact O-N 3.16Å; K130-E133 PolarHBondContact O-N 2.93Å; K130-I134 WeakPolarHBondContact O-CG1 3.21Å; K130-I134 PolarHBondContact O-N 2.91Å; K130-I134 VanDerWaalsContact O-N 3.08Å; K130-H279 HydrophobicContact CB-CB 4.45Å; K130-H279 HydrophobicContact CG-CB 4.43Å; K130-H279 PolarHBondContact N-O 3Å
131V90.6Very high88.5Confident4 Ų442.6 Ų42.62%0.02422%0.215CC..Hα-helixtrans-58-37.1-176.4-175.80000110.5L79 T80 I83 F124 E125 G129 E133 I134 V135L79-V131 HydrophobicContact CB-CB 4.42Å; L79-V131 HydrophobicContact CB-CG1 4.36Å; L79-V131 HydrophobicContact CB-CG2 4.27Å; L79-V131 HydrophobicContact CD1-CG2 4.39Å; T80-V131 HydrophobicContact CG2-CB 3.74Å; T80-V131 HydrophobicContact CG2-CG1 3.61Å; I83-V131 HydrophobicContact CD1-CG1 3.81Å; F124-V131 HydrophobicContact CD1-CG2 4.22Å; F124-V131 HydrophobicContact CE1-CG2 3.99Å; E125-V131 HydrophobicContact CG-CG2 4Å; E125-V131 PolarHBondContact OE1-N 3.17Å; G129-V131 PolarHBondContact O-N 3.44Å; V131-E133 PolarHBondContact O-N 2.91Å; V131-I134 PolarHBondContact O-N 2.89Å; V131-V135 HydrophobicContact CG1-CG2 4.22Å; V131-V135 WeakPolarHBondContact O-CG2 3.42Å; V131-V135 PolarHBondContact O-N 2.84Å
132T89.6Confident88.2Confident59 Ų5946.1 Ų46.136%0.36223%0.233SC..Hα-helixtrans-56-34.417652.40000113.8T80 K130 K136T80-T132 HydrophobicContact CG2-CG2 3.59Å; K130-T132 PolarHBondContact O-N 2.84Å; K130-T132 VanDerWaalsContact O-N 3.16Å; T132-K136 WeakPolarHBondContact O-CE 3.24Å; T132-K136 WeakPolarHBondContact O-CG 3.21Å
133E88.6Confident88.2Confident45 Ų4543 Ų4321%0.2122%0.218CC..Hα-helixtrans-91.4-34.2-177.5-16258.2-154.500111.8K130 V131 V135 K136 T137 H279 L280K130-E133 PolarHBondContact O-N 2.93Å; V131-E133 PolarHBondContact O-N 2.91Å; E133-V135 VanDerWaalsContact C-N 3.28Å; E133-V135 PolarHBondContact O-N 2.86Å; E133-K136 PolarHBondContact O-N 3.13Å; E133-K136 IonicContact OE2-NZ 2.75Å; E133-K136 PolarHBondContact OE2-NZ 2.89Å; E133-T137 HydrophobicContact CG-CG2 4.46Å; E133-T137 WeakPolarHBondContact O-CG2 2.98Å; E133-T137 PolarHBondContact O-N 3.18Å; E133-T137 VanDerWaalsContact O-N 3.11Å; E133-T137 PolarHBondContact O-OG1 3.29Å; E133-H279 HydrophobicContact CB-CB 3.95Å; E133-H279 HydrophobicContact CG-CB 3.95Å; E133-L280 HydrophobicContact CG-CD1 4.39Å; E133-L280 HydrophobicContact CG-CD2 4.45Å; E133-L280 HydrophobicContact CG-CG 4.18Å
134I86.9Confident88.4Confident2 Ų245.2 Ų45.21%0.0123%0.227CC..Hα-helixtrans-61.1-41.5173.8-55.1167.6000110.1H128 G129 K130 V131 K136 T137 C138 I143 L280H128-I134 HydrophobicContact CB-CD1 4.39Å; H128-I134 VanDerWaalsContact O-CD1 3.29Å; H128-I134 WeakPolarHBondContact O-CD1 3.3Å; G129-I134 WeakPolarHBondContact O-CD1 3.44Å; K130-I134 WeakPolarHBondContact O-CG1 3.21Å; K130-I134 PolarHBondContact O-N 2.91Å; K130-I134 VanDerWaalsContact O-N 3.08Å; V131-I134 PolarHBondContact O-N 2.89Å; I134-K136 VanDerWaalsContact C-N 3.25Å; I134-K136 PolarHBondContact O-N 3.41Å; I134-T137 PolarHBondContact O-N 2.94Å; I134-T137 PolarHBondContact O-OG1 2.86Å; I134-C138 HydrophobicContact CG2-CB 3.93Å; I134-C138 WeakPolarHBondContact O-CA 3.24Å; I134-C138 VanDerWaalsContact O-CB 3.31Å; I134-C138 WeakPolarHBondContact O-CB 3.09Å; I134-C138 PolarHBondContact O-N 2.67Å; I134-I143 HydrophobicContact CB-CD1 4.42Å; I134-I143 HydrophobicContact CB-CG1 4.34Å; I134-I143 HydrophobicContact CG2-CD1 3.93Å; I134-I143 HydrophobicContact CG2-CG1 3.43Å; I134-I143 VanDerWaalsContact CG2-CG1 3.43Å; I134-L280 HydrophobicContact CG1-CD2 4.48Å
135V86.4Confident88.4Confident34 Ų3448 Ų4821%0.20625%0.251CS..Hα-helixtrans-62.8-29.7178.7172.90000113.1I83 V131 E133 I143I83-V135 HydrophobicContact CD1-CG2 3.37Å; V131-V135 HydrophobicContact CG1-CG2 4.22Å; V131-V135 WeakPolarHBondContact O-CG2 3.42Å; V131-V135 PolarHBondContact O-N 2.84Å; E133-V135 VanDerWaalsContact C-N 3.28Å; E133-V135 PolarHBondContact O-N 2.86Å; V135-I143 HydrophobicContact CB-CD1 4.32Å; V135-I143 HydrophobicContact CG2-CD1 3.51Å
136K86.1Confident88.4Confident150 Ų15049.4 Ų49.465%0.65226%0.257SS*.Hα-helixtrans-80.8-35177.9-65.5175.7-159.9157.50112.8T132 E133 I134T132-K136 WeakPolarHBondContact O-CE 3.24Å; T132-K136 WeakPolarHBondContact O-CG 3.21Å; E133-K136 PolarHBondContact O-N 3.13Å; E133-K136 IonicContact OE2-NZ 2.75Å; E133-K136 PolarHBondContact OE2-NZ 2.89Å; I134-K136 VanDerWaalsContact C-N 3.25Å; I134-K136 PolarHBondContact O-N 3.41Å
137T82.7Confident88.6Confident78 Ų7849.1 Ų49.148%0.47926%0.255SS..Hα-helixtrans-97.1-28-168.452.60000113.3E133 I134E133-T137 HydrophobicContact CG-CG2 4.46Å; E133-T137 WeakPolarHBondContact O-CG2 2.98Å; E133-T137 PolarHBondContact O-N 3.18Å; E133-T137 VanDerWaalsContact O-N 3.11Å; E133-T137 PolarHBondContact O-OG1 3.29Å; I134-T137 PolarHBondContact O-N 2.94Å; I134-T137 PolarHBondContact O-OG1 2.86Å
138C78.3Confident88.7Confident39 Ų3951 Ų5126%0.26427%0.265SS..SBendtrans-122.5155.4-170.6-60.20000111.4I134 I142I134-C138 HydrophobicContact CG2-CB 3.93Å; I134-C138 WeakPolarHBondContact O-CA 3.24Å; I134-C138 VanDerWaalsContact O-CB 3.31Å; I134-C138 WeakPolarHBondContact O-CB 3.09Å; I134-C138 PolarHBondContact O-N 2.67Å; C138-I142 HydrophobicContact CB-CB 4.15Å; C138-I142 HydrophobicContact CB-CD1 3.97Å; C138-I142 HydrophobicContact CB-CG2 4.27Å
139D82.6Confident88.7Confident104 Ų10454.7 Ų54.756%0.55628%0.281SS*.  trans-68.5152.7168.7-162.1-3.4000111E141 I142D139-E141 PolarHBondContact O-N 3.37Å; D139-I142 WeakPolarHBondContact O-CB 3.31Å; D139-I142 PolarHBondContact O-N 2.94Å
140Y84.7Confident88.8Confident17 Ų1755.7 Ų55.77%0.06729%0.286CS..Hα-helixtrans-60.1-28.6178.8-76.3-89.1000112.2T16 K19 L31 I83 I142 I143 K144T16-Y140 HydrophobicContact CG2-CD1 4.15Å; T16-Y140 HydrophobicContact CG2-CE1 3.59Å; K19-Y140 HydrophobicContact CD-CE2 4.25Å; K19-Y140 VanDerWaalsContact NZ-CE2 3.34Å; K19-Y140 PolarHBondContact NZ-OH 3.39Å; L31-Y140 HydrophobicContact CD1-CD1 4.31Å; L31-Y140 HydrophobicContact CD2-CD1 3.66Å; L31-Y140 HydrophobicContact CD2-CE1 4.48Å; L31-Y140 HydrophobicContact CD2-CG 4.44Å; I83-Y140 HydrophobicContact CD1-CE1 4.46Å; Y140-I142 VanDerWaalsContact C-N 3.26Å; Y140-I142 PolarHBondContact O-N 3.2Å; Y140-I143 HydrophobicContact CD1-CD1 4.42Å; Y140-I143 WeakPolarHBondContact O-CB 3.46Å; Y140-I143 PolarHBondContact O-N 3.17Å; Y140-I143 VanDerWaalsContact O-N 3.09Å; Y140-K144 WeakPolarHBondContact O-CG 3.48Å; Y140-K144 PolarHBondContact O-N 2.97Å
141E87.6Confident88.9Confident109 Ų10951.9 Ų51.951%0.50927%0.269SS..Hα-helixtrans-60.9-34.5174.6-66.3-54.1130.500112.7D139 K144 A145D139-E141 PolarHBondContact O-N 3.37Å; E141-K144 PolarHBondContact O-N 3.21Å; E141-K144 WeakPolarHBondContact OE1-CE 3.32Å; E141-K144 IonicContact OE1-NZ 2.78Å; E141-K144 PolarHBondContact OE1-NZ 3.42Å; E141-A145 PolarHBondContact O-N 3.02Å; E141-A145 VanDerWaalsContact O-N 3.08Å
142I88.2Confident88.8Confident81 Ų8153.6 Ų53.642%0.41528%0.281SS..Hα-helixtrans-69.2-38.5175.1-61.7172.6000110.2C138 D139 Y140 A145 K146C138-I142 HydrophobicContact CB-CB 4.15Å; C138-I142 HydrophobicContact CB-CD1 3.97Å; C138-I142 HydrophobicContact CB-CG2 4.27Å; D139-I142 WeakPolarHBondContact O-CB 3.31Å; D139-I142 PolarHBondContact O-N 2.94Å; Y140-I142 VanDerWaalsContact C-N 3.26Å; Y140-I142 PolarHBondContact O-N 3.2Å; I142-A145 PolarHBondContact O-N 3.31Å; I142-K146 HydrophobicContact CG2-CD 4.25Å; I142-K146 WeakPolarHBondContact O-CG 3.38Å; I142-K146 PolarHBondContact O-N 2.97Å
143I90.3Very high88.7Confident4 Ų458.1 Ų58.12%0.02129%0.292CS..Hα-helixtrans-64.4-46.3176.4-64.4173.9000110.2L31 I134 V135 Y140 A145 K146 L147L31-I143 HydrophobicContact CD1-CG2 4.41Å; I134-I143 HydrophobicContact CB-CD1 4.42Å; I134-I143 HydrophobicContact CB-CG1 4.34Å; I134-I143 HydrophobicContact CG2-CD1 3.93Å; I134-I143 HydrophobicContact CG2-CG1 3.43Å; I134-I143 VanDerWaalsContact CG2-CG1 3.43Å; V135-I143 HydrophobicContact CB-CD1 4.32Å; V135-I143 HydrophobicContact CG2-CD1 3.51Å; Y140-I143 HydrophobicContact CD1-CD1 4.42Å; Y140-I143 WeakPolarHBondContact O-CB 3.46Å; Y140-I143 PolarHBondContact O-N 3.17Å; Y140-I143 VanDerWaalsContact O-N 3.09Å; I143-A145 VanDerWaalsContact C-N 3.34Å; I143-A145 PolarHBondContact O-N 2.66Å; I143-K146 PolarHBondContact O-N 3.19Å; I143-L147 HydrophobicContact CG2-CD1 3.7Å; I143-L147 HydrophobicContact CG2-CG 4.09Å; I143-L147 WeakPolarHBondContact O-CB 3.44Å; I143-L147 WeakPolarHBondContact O-CG 3.38Å; I143-L147 PolarHBondContact O-N 2.68Å
144K92.8Very high88.6Confident50 Ų5057.2 Ų57.222%0.21729%0.287CS..Hα-helixtrans-53.9-50.8175.9-70.6177.7-177.21740111.3I30 L31 Y140 E141 K146 L147 E148I30-K144 VanDerWaalsContact O-CE 3.27Å; I30-K144 WeakPolarHBondContact O-CE 3.46Å; L31-K144 HydrophobicContact CD2-CG 4.29Å; L31-K144 WeakPolarHBondContact O-CG 3.45Å; Y140-K144 WeakPolarHBondContact O-CG 3.48Å; Y140-K144 PolarHBondContact O-N 2.97Å; E141-K144 PolarHBondContact O-N 3.21Å; E141-K144 WeakPolarHBondContact OE1-CE 3.32Å; E141-K144 IonicContact OE1-NZ 2.78Å; E141-K144 PolarHBondContact OE1-NZ 3.42Å; K144-K146 VanDerWaalsContact C-N 3.34Å; K144-K146 PolarHBondContact O-N 3.22Å; K144-L147 PolarHBondContact O-N 3.1Å; K144-E148 WeakPolarHBondContact O-CB 3.38Å; K144-E148 PolarHBondContact O-N 3.36Å
145A92.8Very high88.6Confident62 Ų6257.9 Ų57.951%0.51229%0.29SS..Hα-helixtrans-61.1-40.9179.100000112.8E141 I142 I143 H149E141-A145 PolarHBondContact O-N 3.02Å; E141-A145 VanDerWaalsContact O-N 3.08Å; I142-A145 PolarHBondContact O-N 3.31Å; I143-A145 VanDerWaalsContact C-N 3.34Å; I143-A145 PolarHBondContact O-N 2.66Å; A145-H149 VanDerWaalsContact O-CB 3.27Å; A145-H149 WeakPolarHBondContact O-CB 3.41Å; A145-H149 PolarHBondContact O-N 3.47Å
146K92.6Very high88.4Confident55 Ų5565.9 Ų65.924%0.23932%0.316CS..Hα-helixtrans-65.9-46176.6-74.7176.9168.2-170.10112.1F124 H128 I142 I143 K144 H149 F150F124-K146 HydrophobicContact CE2-CB 4.15Å; F124-K146 HydrophobicContact CZ-CB 4.15Å; H128-K146 HydrophobicContact CB-CD 4.22Å; H128-K146 PolarHBondContact O-NZ 3.45Å; H128-K146 VanDerWaalsContact O-NZ 3.09Å; I142-K146 HydrophobicContact CG2-CD 4.25Å; I142-K146 WeakPolarHBondContact O-CG 3.38Å; I142-K146 PolarHBondContact O-N 2.97Å; I143-K146 PolarHBondContact O-N 3.19Å; K144-K146 VanDerWaalsContact C-N 3.34Å; K144-K146 PolarHBondContact O-N 3.22Å; K146-H149 PolarHBondContact O-N 3.24Å; K146-F150 WeakPolarHBondContact O-CB 3.11Å; K146-F150 PolarHBondContact O-N 2.97Å
147L94.7Very high88.1Confident3 Ų361.6 Ų61.62%0.01630%0.303CS..Hα-helixtrans-61.4-47.2178-72171.1000110.9V14 L31 Y32 F124 I143 K144 H149 F150 F151V14-L147 HydrophobicContact CB-CD1 4.1Å; V14-L147 HydrophobicContact CG1-CD1 3.99Å; V14-L147 HydrophobicContact CG2-CD1 4.32Å; V14-L147 HydrophobicContact CG2-CD2 4.41Å; L31-L147 HydrophobicContact CB-CD1 3.81Å; Y32-L147 HydrophobicContact CD2-CB 4.34Å; Y32-L147 HydrophobicContact CG-CB 4.28Å; F124-L147 HydrophobicContact CD2-CD2 4.35Å; F124-L147 HydrophobicContact CE1-CD2 4.02Å; F124-L147 HydrophobicContact CE2-CD2 3.84Å; F124-L147 HydrophobicContact CE2-CG 4.36Å; F124-L147 HydrophobicContact CZ-CD2 3.65Å; F124-L147 HydrophobicContact CZ-CG 4.11Å; I143-L147 HydrophobicContact CG2-CD1 3.7Å; I143-L147 HydrophobicContact CG2-CG 4.09Å; I143-L147 WeakPolarHBondContact O-CB 3.44Å; I143-L147 WeakPolarHBondContact O-CG 3.38Å; I143-L147 PolarHBondContact O-N 2.68Å; K144-L147 PolarHBondContact O-N 3.1Å; L147-H149 PolarHBondContact O-N 3.37Å; L147-F150 PolarHBondContact O-N 3.32Å; L147-F151 HydrophobicContact CB-CD2 4.49Å; L147-F151 HydrophobicContact CD2-CD2 3.95Å; L147-F151 HydrophobicContact CD2-CE2 3.67Å; L147-F151 WeakPolarHBondContact O-CB 3.44Å; L147-F151 PolarHBondContact O-N 2.85Å
148E93.9Very high88.1Confident69 Ų6958.6 Ų58.632%0.32228%0.284SS..Hα-helixtrans-58.3-50177.1-175.261.4-146.300111.1Y32 K144 F150 S152Y32-E148 HydrophobicContact CD2-CB 4.42Å; Y32-E148 VanDerWaalsContact CD2-OE2 3.31Å; Y32-E148 WeakPolarHBondContact CD2-OE2 3.32Å; Y32-E148 WeakPolarHBondContact CE2-OE2 3.12Å; K144-E148 WeakPolarHBondContact O-CB 3.38Å; K144-E148 PolarHBondContact O-N 3.36Å; E148-F150 VanDerWaalsContact C-N 3.29Å; E148-F150 PolarHBondContact O-N 3.09Å; E148-S152 WeakPolarHBondContact O-CB 3.4Å; E148-S152 PolarHBondContact O-N 3.5Å; E148-S152 PolarHBondContact O-OG 3.01Å
149H91.3Very high88.1Confident103 Ų10361.5 Ų61.548%0.47730%0.296SS..Hα-helixtrans-60.2-37.9-179.8177.7-91.7000113.1A145 K146 L147 R153A145-H149 VanDerWaalsContact O-CB 3.27Å; A145-H149 WeakPolarHBondContact O-CB 3.41Å; A145-H149 PolarHBondContact O-N 3.47Å; K146-H149 PolarHBondContact O-N 3.24Å; L147-H149 PolarHBondContact O-N 3.37Å; H149-R153 PolarHBondContact CD2-NH1 3.09Å; H149-R153 PolarHBondContact CE1-NH1 2.9Å; H149-R153 VanDerWaalsContact CE1-NH1 3.29Å; H149-R153 PolarHBondContact NE2-NH1 2.79Å
150F92.6Very high88.1Confident21 Ų2156.8 Ų56.89%0.09227%0.271CS..Hα-helixtrans-80-59.8-179178.6-98.5000112.5A120 T123 F124 H128 K146 L147 E148 S152 R153 Y154A120-F150 WeakPolarHBondContact O-CE1 3.47Å; T123-F150 HydrophobicContact CG2-CE2 4.04Å; T123-F150 HydrophobicContact CG2-CZ 4.01Å; F124-F150 HydrophobicContact CB-CD1 3.85Å; F124-F150 HydrophobicContact CB-CE1 3.66Å; F124-F150 HydrophobicContact CB-CE2 4.48Å; F124-F150 HydrophobicContact CB-CG 4.35Å; F124-F150 HydrophobicContact CB-CZ 4Å; F124-F150 HydrophobicContact CD2-CB 3.74Å; F124-F150 AromaticContact CD2-CD1 3.67Å; F124-F150 HydrophobicContact CD2-CD1 3.67Å; F124-F150 HydrophobicContact CD2-CD2 4.35Å; F124-F150 HydrophobicContact CD2-CE1 4.37Å; F124-F150 AromaticContact CD2-CG 3.66Å; F124-F150 HydrophobicContact CD2-CG 3.66Å; F124-F150 HydrophobicContact CE2-CB 4.15Å; F124-F150 HydrophobicContact CG-CD1 4.22Å; H128-F150 AromaticContact CE1-CD2 3.88Å; K146-F150 WeakPolarHBondContact O-CB 3.11Å; K146-F150 PolarHBondContact O-N 2.97Å; L147-F150 PolarHBondContact O-N 3.32Å; E148-F150 VanDerWaalsContact C-N 3.29Å; E148-F150 PolarHBondContact O-N 3.09Å; F150-S152 PolarHBondContact O-N 3.42Å; F150-R153 PolarHBondContact O-N 2.96Å; F150-Y154 HydrophobicContact CE1-CD1 4.31Å; F150-Y154 HydrophobicContact CE1-CD2 4.05Å; F150-Y154 AromaticContact CE1-CG 3.82Å; F150-Y154 HydrophobicContact CE1-CG 3.82Å; F150-Y154 AromaticContact CE2-CD2 3.81Å; F150-Y154 HydrophobicContact CE2-CD2 3.81Å; F150-Y154 HydrophobicContact CE2-CE2 4.43Å; F150-Y154 HydrophobicContact CE2-CG 4.33Å; F150-Y154 HydrophobicContact CZ-CD1 4.35Å; F150-Y154 AromaticContact CZ-CD2 3.38Å; F150-Y154 HydrophobicContact CZ-CD2 3.38Å; F150-Y154 AromaticContact CZ-CE2 3.87Å; F150-Y154 HydrophobicContact CZ-CE2 3.87Å; F150-Y154 AromaticContact CZ-CG 3.66Å; F150-Y154 HydrophobicContact CZ-CG 3.66Å; F150-Y154 WeakPolarHBondContact O-CB 3.47Å; F150-Y154 PolarHBondContact O-N 2.81Å
151F92.8Very high87.7Confident1 Ų158.1 Ų58.10%0.00428%0.277CS..Hα-helixtrans-70.4-30.3-170.4-78.4-72.8000112.8L12 Y32 I85 A120 F124 L147 R153 Y154 L155L12-F151 HydrophobicContact CD1-CE1 4.47Å; L12-F151 HydrophobicContact CD2-CD1 4.08Å; L12-F151 HydrophobicContact CD2-CE1 4.41Å; L12-F151 HydrophobicContact CD2-CG 4.23Å; Y32-F151 HydrophobicContact CD1-CB 4.4Å; Y32-F151 HydrophobicContact CE1-CB 3.7Å; Y32-F151 HydrophobicContact CE1-CG 4.32Å; Y32-F151 HydrophobicContact CE2-CB 4.09Å; I85-F151 HydrophobicContact CD1-CE1 4.26Å; I85-F151 HydrophobicContact CD1-CE2 4.34Å; I85-F151 HydrophobicContact CD1-CZ 3.79Å; A120-F151 HydrophobicContact CB-CE1 4.24Å; F124-F151 HydrophobicContact CD2-CE2 4.39Å; F124-F151 HydrophobicContact CG-CE2 4.46Å; L147-F151 HydrophobicContact CB-CD2 4.49Å; L147-F151 HydrophobicContact CD2-CD2 3.95Å; L147-F151 HydrophobicContact CD2-CE2 3.67Å; L147-F151 WeakPolarHBondContact O-CB 3.44Å; L147-F151 PolarHBondContact O-N 2.85Å; F151-R153 PolarHBondContact O-N 2.92Å; F151-R153 VanDerWaalsContact O-N 3.1Å; F151-Y154 PolarHBondContact O-N 3.42Å; F151-L155 HydrophobicContact CB-CD1 4.44Å; F151-L155 HydrophobicContact CB-CG 4.42Å; F151-L155 HydrophobicContact CD1-CG 4.48Å; F151-L155 VanDerWaalsContact O-CB 3.28Å; F151-L155 WeakPolarHBondContact O-CB 3.4Å; F151-L155 WeakPolarHBondContact O-CG 3.44Å; F151-L155 PolarHBondContact O-N 2.91Å
152S89.8Confident87.2Confident39 Ų3957.2 Ų57.227%0.27327%0.27SS..Hα-helixtrans-56.2-29.9175.360.70000113.5E148 F150 R156E148-S152 WeakPolarHBondContact O-CB 3.4Å; E148-S152 PolarHBondContact O-N 3.5Å; E148-S152 PolarHBondContact O-OG 3.01Å; F150-S152 PolarHBondContact O-N 3.42Å; S152-R156 PolarHBondContact O-NE 3.49Å
153R86.8Confident87.1Confident154 Ų15454.4 Ų54.458%0.58126%0.257SS*.Hα-helixtrans-96.8-45.9176.2-61.9-173.9-179124.7-4.4111.9H149 F150 F151 L155 R156H149-R153 PolarHBondContact CD2-NH1 3.09Å; H149-R153 PolarHBondContact CE1-NH1 2.9Å; H149-R153 VanDerWaalsContact CE1-NH1 3.29Å; H149-R153 PolarHBondContact NE2-NH1 2.79Å; F150-R153 PolarHBondContact O-N 2.96Å; F151-R153 PolarHBondContact O-N 2.92Å; F151-R153 VanDerWaalsContact O-N 3.1Å; R153-L155 VanDerWaalsContact C-N 3.34Å; R153-L155 PolarHBondContact O-N 3.15Å; R153-R156 WeakPolarHBondContact O-CB 3.35Å; R153-R156 PolarHBondContact O-N 3.48Å
154Y86.5Confident86.9Confident27 Ų2754.5 Ų54.511%0.10626%0.258CS..Hα-helixtrans-65-34.2-174.4-163.6-82.8000112.9A120 T123 F150 F151 R156 T157 M158 F230A120-Y154 HydrophobicContact CB-CD1 3.9Å; A120-Y154 HydrophobicContact CB-CE1 3.38Å; T123-Y154 HydrophobicContact CG2-CE2 4.01Å; F150-Y154 HydrophobicContact CE1-CD1 4.31Å; F150-Y154 HydrophobicContact CE1-CD2 4.05Å; F150-Y154 AromaticContact CE1-CG 3.82Å; F150-Y154 HydrophobicContact CE1-CG 3.82Å; F150-Y154 AromaticContact CE2-CD2 3.81Å; F150-Y154 HydrophobicContact CE2-CD2 3.81Å; F150-Y154 HydrophobicContact CE2-CE2 4.43Å; F150-Y154 HydrophobicContact CE2-CG 4.33Å; F150-Y154 HydrophobicContact CZ-CD1 4.35Å; F150-Y154 AromaticContact CZ-CD2 3.38Å; F150-Y154 HydrophobicContact CZ-CD2 3.38Å; F150-Y154 AromaticContact CZ-CE2 3.87Å; F150-Y154 HydrophobicContact CZ-CE2 3.87Å; F150-Y154 AromaticContact CZ-CG 3.66Å; F150-Y154 HydrophobicContact CZ-CG 3.66Å; F150-Y154 WeakPolarHBondContact O-CB 3.47Å; F150-Y154 PolarHBondContact O-N 2.81Å; F151-Y154 PolarHBondContact O-N 3.42Å; Y154-R156 PolarHBondContact O-N 2.94Å; Y154-R156 VanDerWaalsContact O-N 3.1Å; Y154-T157 PolarHBondContact O-N 3.18Å; Y154-T157 PolarHBondContact O-OG1 3Å; Y154-M158 HydrophobicContact CD1-CE 3.85Å; Y154-M158 HydrophobicContact CD1-CG 4.23Å; Y154-M158 HydrophobicContact CE1-CE 3.73Å; Y154-M158 HydrophobicContact CE1-CG 4.17Å; Y154-F230 HydrophobicContact CD2-CZ 4.22Å; Y154-F230 HydrophobicContact CE2-CE2 4.42Å; Y154-F230 HydrophobicContact CE2-CZ 4.44Å
155L87.3Confident86.7Confident16 Ų1652.1 Ų52.18%0.08425%0.248CC..G310 helixtrans-58.5-27.6176.8-76.3174.5000113.1V9 L12 Y32 F34 F151 R153 T157 M158V9-L155 HydrophobicContact CG1-CD2 4.34Å; L12-L155 HydrophobicContact CB-CD1 4.36Å; L12-L155 HydrophobicContact CB-CD2 4.19Å; L12-L155 HydrophobicContact CD1-CD2 3.84Å; L12-L155 HydrophobicContact CG-CD2 4.44Å; Y32-L155 HydrophobicContact CE1-CD1 4.39Å; Y32-L155 WeakPolarHBondContact OH-CD1 3.14Å; F34-L155 HydrophobicContact CB-CD1 3.65Å; F34-L155 HydrophobicContact CD1-CD1 3.79Å; F34-L155 HydrophobicContact CD2-CD1 3.7Å; F34-L155 HydrophobicContact CE1-CD1 4.37Å; F34-L155 HydrophobicContact CE2-CD1 4.31Å; F34-L155 HydrophobicContact CG-CD1 3.41Å; F34-L155 VanDerWaalsContact CG-CD1 3.41Å; F151-L155 HydrophobicContact CB-CD1 4.44Å; F151-L155 HydrophobicContact CB-CG 4.42Å; F151-L155 HydrophobicContact CD1-CG 4.48Å; F151-L155 VanDerWaalsContact O-CB 3.28Å; F151-L155 WeakPolarHBondContact O-CB 3.4Å; F151-L155 WeakPolarHBondContact O-CG 3.44Å; F151-L155 PolarHBondContact O-N 2.91Å; R153-L155 VanDerWaalsContact C-N 3.34Å; R153-L155 PolarHBondContact O-N 3.15Å; L155-T157 PolarHBondContact O-N 3.27Å; L155-M158 HydrophobicContact CD2-SD 3.74Å; L155-M158 PolarHBondContact O-N 2.63Å
156R82.4Confident86.5Confident201 Ų20149.7 Ų49.776%0.75823%0.226SC*.G310 helixtrans-71.6-21.2178.4-56179.9-174-168.4-3.9112.7S152 R153 Y154S152-R156 PolarHBondContact O-NE 3.49Å; R153-R156 WeakPolarHBondContact O-CB 3.35Å; R153-R156 PolarHBondContact O-N 3.48Å; Y154-R156 PolarHBondContact O-N 2.94Å; Y154-R156 VanDerWaalsContact O-N 3.1Å
157T79.9Confident86.3Confident60 Ų6048.4 Ų48.437%0.36822%0.222SC..G310 helixtrans-89.6-12.4177.168.10000112.1Y154 L155 L159 F230Y154-T157 PolarHBondContact O-N 3.18Å; Y154-T157 PolarHBondContact O-OG1 3Å; L155-T157 PolarHBondContact O-N 3.27Å; T157-L159 PolarHBondContact O-N 3.17Å; T157-F230 HydrophobicContact CG2-CE1 3.89Å; T157-F230 HydrophobicContact CG2-CZ 4.03Å
158M81.2Confident86Confident15 Ų1548.9 Ų48.97%0.07423%0.225CC..  trans-78.378.8176.6-69.1-174.8166.900111.8I87 V116 A120 Y154 L155 F160I87-M158 HydrophobicContact CD1-SD 4.44Å; V116-M158 HydrophobicContact CG1-CE 4.35Å; V116-M158 HydrophobicContact CG1-CG 4.17Å; V116-M158 HydrophobicContact CG1-SD 4.42Å; A120-M158 HydrophobicContact CB-CE 3.1Å; Y154-M158 HydrophobicContact CD1-CE 3.85Å; Y154-M158 HydrophobicContact CD1-CG 4.23Å; Y154-M158 HydrophobicContact CE1-CE 3.73Å; Y154-M158 HydrophobicContact CE1-CG 4.17Å; L155-M158 HydrophobicContact CD2-SD 3.74Å; L155-M158 PolarHBondContact O-N 2.63Å; M158-F160 HydrophobicContact CB-CE2 4.16Å; M158-F160 PolarHBondContact O-N 3.35Å; M158-F160 HydrophobicContact SD-CE2 4.4Å
159L79.9Confident85.8Confident100 Ų10045.9 Ų45.952%0.52421%0.211SC..  trans-91.577.6179.6-59.5177.1000111.6T157 E161 Y162T157-L159 PolarHBondContact O-N 3.17Å; L159-E161 PolarHBondContact O-N 3.2Å; L159-Y162 HydrophobicContact CB-CD2 3.83Å; L159-Y162 HydrophobicContact CB-CE2 4.47Å; L159-Y162 HydrophobicContact CD1-CD2 4.09Å; L159-Y162 HydrophobicContact CD1-CE2 4.24Å; L159-Y162 PolarHBondContact O-N 2.83Å
160F81.6Confident85.7Confident5 Ų541.5 Ų41.52%0.02219%0.191CC..G310 helixtrans-54.8-21.9-179.1-77.2-72.3000115.2P7 V9 I87 I89 L108 I113 V116 M158 Y162 C163P7-F160 HydrophobicContact CB-CB 4.27Å; P7-F160 HydrophobicContact CG-CB 4.25Å; V9-F160 HydrophobicContact CG2-CD2 3.85Å; V9-F160 HydrophobicContact CG2-CE2 3.58Å; I87-F160 HydrophobicContact CD1-CE2 3.92Å; I87-F160 HydrophobicContact CD1-CZ 3.97Å; I89-F160 HydrophobicContact CD1-CD1 4.04Å; I89-F160 HydrophobicContact CD1-CD2 3.88Å; I89-F160 HydrophobicContact CD1-CE1 3.75Å; I89-F160 HydrophobicContact CD1-CE2 3.57Å; I89-F160 HydrophobicContact CD1-CG 4.1Å; I89-F160 HydrophobicContact CD1-CZ 3.5Å; I89-F160 VanDerWaalsContact CD1-CZ 3.5Å; I89-F160 HydrophobicContact CG1-CE2 4.31Å; L108-F160 HydrophobicContact CD1-CD1 4.21Å; L108-F160 HydrophobicContact CD2-CB 4.04Å; L108-F160 HydrophobicContact CD2-CD1 3.82Å; L108-F160 HydrophobicContact CD2-CG 4.1Å; I113-F160 HydrophobicContact CB-CE1 4.49Å; I113-F160 HydrophobicContact CG1-CE1 4.34Å; I113-F160 HydrophobicContact CG2-CE1 4.42Å; V116-F160 HydrophobicContact CB-CE1 3.79Å; V116-F160 HydrophobicContact CB-CZ 4.09Å; V116-F160 HydrophobicContact CG1-CE1 3.77Å; V116-F160 HydrophobicContact CG1-CZ 3.67Å; V116-F160 HydrophobicContact CG2-CE1 4.09Å; M158-F160 HydrophobicContact CB-CE2 4.16Å; M158-F160 PolarHBondContact O-N 3.35Å; M158-F160 HydrophobicContact SD-CE2 4.4Å; F160-Y162 PolarHBondContact O-N 2.89Å; F160-C163 PolarHBondContact O-N 2.91Å
161E76.9Confident85.5Confident45 Ų4540.8 Ų40.821%0.2119%0.189CC..G310 helixtrans-58.9-33.6173.8-176.4-169.9165.600113.2R6 L159R6-E161 VanDerWaalsContact CD-CD 3.45Å; R6-E161 WeakPolarHBondContact CD-OE2 3.41Å; R6-E161 HydrophobicContact CG-CG 4.08Å; R6-E161 IonicContact CZ-OE1 3.16Å; R6-E161 IonicContact CZ-OE2 3.58Å; R6-E161 VanDerWaalsContact CZ-OE2 3.26Å; R6-E161 IonicContact NE-OE1 2.81Å; R6-E161 PolarHBondContact NE-OE1 2.81Å; R6-E161 VanDerWaalsContact NE-OE1 3.09Å; R6-E161 IonicContact NE-OE2 3.91Å; R6-E161 PolarHBondContact NE-OE2 2.86Å; R6-E161 IonicContact NH1-OE1 2.69Å; R6-E161 PolarHBondContact NH1-OE1 2.78Å; R6-E161 IonicContact NH1-OE2 3.79Å; R6-E161 PolarHBondContact NH1-OE2 2.82Å; R6-E161 IonicContact NH2-OE1 3.35Å; R6-E161 PolarHBondContact NH2-OE1 2.81Å; L159-E161 PolarHBondContact O-N 3.2Å
162Y77.5Confident85.3Confident91 Ų9140.7 Ų40.736%0.35719%0.189SC..G310 helixtrans-103.13.1-176.4-56.1-58.5000112.7L159 F160L159-Y162 HydrophobicContact CB-CD2 3.83Å; L159-Y162 HydrophobicContact CB-CE2 4.47Å; L159-Y162 HydrophobicContact CD1-CD2 4.09Å; L159-Y162 HydrophobicContact CD1-CE2 4.24Å; L159-Y162 PolarHBondContact O-N 2.83Å; F160-Y162 PolarHBondContact O-N 2.89Å
163C84.8Confident85Confident22 Ų2240 Ų4015%0.14918%0.181CC..  trans-77.3138.2179.5-66.50000110.9I112 V116 F160 D167I112-C163 HydrophobicContact CG2-CB 3.41Å; I112-C163 VanDerWaalsContact CG2-CB 3.41Å; V116-C163 HydrophobicContact CG2-CB 4.47Å; F160-C163 PolarHBondContact O-N 2.91Å; C163-D167 WeakPolarHBondContact CA-OD2 3.1Å
164D86.5Confident84.9Confident6 Ų635.6 Ų35.63%0.03217%0.167CC..  trans-144.4-173.2-173.157.242000111.1L166 D167 H408 K415 L425D164-L166 PolarHBondContact O-N 2.8Å; D164-L166 VanDerWaalsContact O-N 3.12Å; D164-L166 WeakPolarHBondContact OD1-CA 3.39Å; D164-L166 VanDerWaalsContact OD1-CB 3.24Å; D164-L166 WeakPolarHBondContact OD1-CB 3.46Å; D164-L166 PolarHBondContact OD1-N 2.89Å; D164-D167 PolarHBondContact N-OD2 2.89Å; D164-D167 WeakPolarHBondContact O-CB 3.17Å; D164-D167 PolarHBondContact O-N 2.99Å; D164-H408 IonicContact OD1-NE2 3.66Å; D164-H408 IonicContact OD2-CD2 3.66Å; D164-H408 PolarHBondContact OD2-CD2 3.28Å; D164-H408 IonicContact OD2-NE2 3.65Å; D164-H408 PolarHBondContact OD2-NE2 3.19Å; D164-K415 IonicContact OD1-NZ 3.01Å; D164-K415 PolarHBondContact OD1-NZ 3.42Å; D164-K415 IonicContact OD2-NZ 2.76Å; D164-L425 HydrophobicContact CB-CB 4.5Å; D164-L425 HydrophobicContact CB-CD1 4.16Å
165I89.9Confident84.4Confident0 Ų035.2 Ų35.20%017%0.166CC..Hα-helixtrans-55.3-28.5178.7-165.8174.6000113.8D167 C168 F169 I394 L425 M428 V429 R432 Y467I165-D167 VanDerWaalsContact C-N 3.26Å; I165-D167 PolarHBondContact O-N 2.88Å; I165-C168 VanDerWaalsContact O-CB 3.28Å; I165-C168 WeakPolarHBondContact O-CB 3.45Å; I165-C168 PolarHBondContact O-N 2.92Å; I165-C168 VanDerWaalsContact O-N 3.12Å; I165-F169 HydrophobicContact CD1-CE2 3.89Å; I165-F169 HydrophobicContact CD1-CZ 3.66Å; I165-F169 HydrophobicContact CG1-CD2 4.38Å; I165-F169 HydrophobicContact CG1-CE1 4.45Å; I165-F169 HydrophobicContact CG1-CE2 3.65Å; I165-F169 HydrophobicContact CG1-CZ 3.68Å; I165-F169 HydrophobicContact CG2-CE2 4.44Å; I165-F169 WeakPolarHBondContact O-CD2 3.36Å; I165-F169 PolarHBondContact O-N 3.49Å; I165-I394 HydrophobicContact CG2-CD1 3.43Å; I165-I394 VanDerWaalsContact CG2-CD1 3.43Å; I165-L425 HydrophobicContact CG2-CD2 3.97Å; I165-M428 HydrophobicContact CD1-CB 3.64Å; I165-M428 WeakPolarHBondContact CD1-O 3.39Å; I165-V429 HydrophobicContact CB-CG2 3.7Å; I165-V429 HydrophobicContact CG1-CG2 4.16Å; I165-R432 HydrophobicContact CD1-CB 4.36Å; I165-Y467 HydrophobicContact CD1-CD1 4.48Å; I165-Y467 HydrophobicContact CD1-CE1 4.15Å; I165-Y467 HydrophobicContact CD1-CE2 4.24Å
166L88.4Confident83.7Confident10 Ų1037.3 Ų37.35%0.05218%0.182CC..Hα-helixtrans-69.6-27.5178.2-57.2-179.2000111.8D164 C168 F169 N170 I394 V403 T405 H408 K415D164-L166 PolarHBondContact O-N 2.8Å; D164-L166 VanDerWaalsContact O-N 3.12Å; D164-L166 WeakPolarHBondContact OD1-CA 3.39Å; D164-L166 VanDerWaalsContact OD1-CB 3.24Å; D164-L166 WeakPolarHBondContact OD1-CB 3.46Å; D164-L166 PolarHBondContact OD1-N 2.89Å; L166-C168 VanDerWaalsContact C-N 3.31Å; L166-F169 HydrophobicContact CD2-CD2 4.15Å; L166-F169 PolarHBondContact O-N 2.96Å; L166-N170 PolarHBondContact O-N 2.88Å; L166-N170 VanDerWaalsContact O-N 3.08Å; L166-I394 HydrophobicContact CD2-CD1 4.18Å; L166-I394 HydrophobicContact CD2-CG2 3.63Å; L166-V403 HydrophobicContact CD2-CG2 3.59Å; L166-T405 HydrophobicContact CD1-CG2 3.94Å; L166-H408 HydrophobicContact CD1-CB 4.39Å; L166-H408 WeakPolarHBondContact CD1-CE1 3.19Å; L166-H408 WeakPolarHBondContact CD1-ND1 3.26Å; L166-K415 HydrophobicContact CB-CD 4.42Å; L166-K415 HydrophobicContact CD1-CD 4.2Å
167D87.8Confident83.6Confident29 Ų2929.2 Ų29.216%0.15515%0.154CC..Hα-helixtrans-68.8-33.2171.8-60.3-61.9000111.1S115 V116 C163 D164 I165 F169 N170 K415S115-D167 WeakPolarHBondContact CB-O 3.18Å; S115-D167 PolarHBondContact OG-O 2.99Å; V116-D167 HydrophobicContact CG2-CB 4.16Å; C163-D167 WeakPolarHBondContact CA-OD2 3.1Å; D164-D167 PolarHBondContact N-OD2 2.89Å; D164-D167 WeakPolarHBondContact O-CB 3.17Å; D164-D167 PolarHBondContact O-N 2.99Å; I165-D167 VanDerWaalsContact C-N 3.26Å; I165-D167 PolarHBondContact O-N 2.88Å; D167-F169 VanDerWaalsContact C-N 3.27Å; D167-F169 PolarHBondContact O-N 2.79Å; D167-N170 PolarHBondContact O-N 2.81Å; D167-K415 WeakPolarHBondContact OD1-CE 3.37Å; D167-K415 IonicContact OD1-NZ 3.7Å; D167-K415 PolarHBondContact OD1-NZ 3.36Å; D167-K415 IonicContact OD2-NZ 2.88Å; D167-K415 PolarHBondContact OD2-NZ 3.09Å
168C88.9Confident83.7Confident13 Ų1330.5 Ų30.59%0.08816%0.156CC..Hα-helixtrans-62.8-35.9171.5-57.90000112I112 I165 L166I112-C168 WeakPolarHBondContact CG1-SG 3.31Å; I165-C168 VanDerWaalsContact O-CB 3.28Å; I165-C168 WeakPolarHBondContact O-CB 3.45Å; I165-C168 PolarHBondContact O-N 2.92Å; I165-C168 VanDerWaalsContact O-N 3.12Å; L166-C168 VanDerWaalsContact C-N 3.31Å
169F90.1Very high84Confident5 Ų535.2 Ų35.22%0.02219%0.187CC..Hα-helixtrans-75.7-31.3178.5-62.7-41.7000113I165 L166 D167 G171 I394 W396 V403 R432 Y467I165-F169 HydrophobicContact CD1-CE2 3.89Å; I165-F169 HydrophobicContact CD1-CZ 3.66Å; I165-F169 HydrophobicContact CG1-CD2 4.38Å; I165-F169 HydrophobicContact CG1-CE1 4.45Å; I165-F169 HydrophobicContact CG1-CE2 3.65Å; I165-F169 HydrophobicContact CG1-CZ 3.68Å; I165-F169 HydrophobicContact CG2-CE2 4.44Å; I165-F169 WeakPolarHBondContact O-CD2 3.36Å; I165-F169 PolarHBondContact O-N 3.49Å; L166-F169 HydrophobicContact CD2-CD2 4.15Å; L166-F169 PolarHBondContact O-N 2.96Å; D167-F169 VanDerWaalsContact C-N 3.27Å; D167-F169 PolarHBondContact O-N 2.79Å; F169-G171 PolarHBondContact O-N 2.8Å; F169-I394 HydrophobicContact CD2-CG2 4.38Å; F169-I394 HydrophobicContact CE2-CG2 3.81Å; F169-W396 HydrophobicContact CB-CD2 3.81Å; F169-W396 HydrophobicContact CB-CE3 3.74Å; F169-W396 HydrophobicContact CB-CG 4.34Å; F169-W396 HydrophobicContact CB-CH2 4.28Å; F169-W396 HydrophobicContact CB-CZ2 4.35Å; F169-W396 HydrophobicContact CB-CZ3 3.99Å; F169-W396 HydrophobicContact CD1-CB 3.99Å; F169-W396 AromaticContact CD1-CD1 3.36Å; F169-W396 AromaticContact CD1-CD2 3.67Å; F169-W396 HydrophobicContact CD1-CD2 3.67Å; F169-W396 AromaticContact CD1-CE2 3.78Å; F169-W396 HydrophobicContact CD1-CE3 4.45Å; F169-W396 AromaticContact CD1-CG 3.41Å; F169-W396 HydrophobicContact CD1-CG 3.41Å; F169-W396 VanDerWaalsContact CD1-CG 3.41Å; F169-W396 AromaticContact CD1-NE1 3.59Å; F169-W396 HydrophobicContact CD2-CB 4.04Å; F169-W396 HydrophobicContact CD2-CD2 4.49Å; F169-W396 HydrophobicContact CD2-CG 4.22Å; F169-W396 HydrophobicContact CE1-CB 3.9Å; F169-W396 AromaticContact CE1-CD1 3.41Å; F169-W396 VanDerWaalsContact CE1-CD1 3.41Å; F169-W396 HydrophobicContact CE1-CD2 4.38Å; F169-W396 AromaticContact CE1-CG 3.64Å; F169-W396 HydrophobicContact CE1-CG 3.64Å; F169-W396 HydrophobicContact CE2-CB 3.96Å; F169-W396 HydrophobicContact CE2-CG 4.41Å; F169-W396 HydrophobicContact CG-CB 4.08Å; F169-W396 AromaticContact CG-CD2 3.75Å; F169-W396 HydrophobicContact CG-CD2 3.75Å; F169-W396 HydrophobicContact CG-CE3 4.09Å; F169-W396 AromaticContact CG-CG 3.74Å; F169-W396 HydrophobicContact CG-CG 3.74Å; F169-W396 HydrophobicContact CZ-CB 3.91Å; F169-W396 HydrophobicContact CZ-CG 4.16Å; F169-W396 WeakPolarHBondContact O-CH2 3.22Å; F169-V403 HydrophobicContact CD2-CG2 4.18Å; F169-R432 HydrophobicContact CE1-CG 4.44Å; F169-Y467 HydrophobicContact CE2-CE2 4.48Å; F169-Y467 HydrophobicContact CZ-CD2 4.4Å; F169-Y467 AromaticContact CZ-CE2 3.69Å; F169-Y467 HydrophobicContact CZ-CE2 3.69Å
170N87.8Confident84.4Confident12 Ų1234 Ų346%0.06418%0.184CC..THydrogen-bonded Turntrans50.146.4-178.4-171.623000111.1I119 L166 D167 R221 H225I119-N170 HydrophobicContact CD1-CB 3.94Å; I119-N170 WeakPolarHBondContact CD1-OD1 3.45Å; I119-N170 HydrophobicContact CG1-CB 4.29Å; I119-N170 VanDerWaalsContact CG1-CG 3.49Å; I119-N170 WeakPolarHBondContact CG1-ND2 3.06Å; L166-N170 PolarHBondContact O-N 2.88Å; L166-N170 VanDerWaalsContact O-N 3.08Å; D167-N170 PolarHBondContact O-N 2.81Å; N170-R221 WeakPolarHBondContact ND2-CD 3.37Å; N170-R221 WeakPolarHBondContact O-CD 3.44Å; N170-H225 PolarHBondContact OD1-CD2 3.01Å; N170-H225 PolarHBondContact OD1-NE2 2.95Å; N170-H225 VanDerWaalsContact OD1-NE2 3.1Å
171G89.8Confident84.8Confident5 Ų534 Ų345%0.05218%0.184CC..PPolyproline II helixtrans-98.7161.9-167.700000114.4F169 H225 C401F169-G171 PolarHBondContact O-N 2.8Å; G171-H225 PolarHBondContact O-CE1 2.88Å; G171-H225 VanDerWaalsContact O-CE1 3.29Å; G171-H225 PolarHBondContact O-NE2 2.95Å; G171-C401 CarbonylContact C-O 3.38Å; G171-C401 WeakPolarHBondContact CA-O 3.21Å
172I87.1Confident85.4Confident0 Ų035.8 Ų35.80%019%0.191CC..BIsolated β-bridgetrans-101.1134.8177.1-56172000108.8F174 L210 V220 R221 Y224 C401 S402 V403I172-F174 HydrophobicContact CB-CE2 3.86Å; I172-F174 HydrophobicContact CB-CZ 4.18Å; I172-F174 HydrophobicContact CG2-CD2 4.38Å; I172-F174 HydrophobicContact CG2-CE1 4.48Å; I172-F174 HydrophobicContact CG2-CE2 3.96Å; I172-F174 HydrophobicContact CG2-CZ 4.02Å; I172-F174 WeakPolarHBondContact O-CD2 3.34Å; I172-L210 HydrophobicContact CD1-CD2 4.21Å; I172-L210 HydrophobicContact CG2-CB 3.53Å; I172-L210 HydrophobicContact CG2-CD2 3.85Å; I172-L210 HydrophobicContact CG2-CG 4.34Å; I172-V220 HydrophobicContact CD1-CB 4.22Å; I172-V220 HydrophobicContact CD1-CG1 4.18Å; I172-R221 HydrophobicContact CD1-CB 3.92Å; I172-R221 HydrophobicContact CG1-CB 3.91Å; I172-Y224 HydrophobicContact CG1-CD1 4.27Å; I172-Y224 HydrophobicContact CG1-CG 4.33Å; I172-Y224 HydrophobicContact CG2-CD2 4.01Å; I172-Y224 HydrophobicContact CG2-CE2 4.06Å; I172-Y224 HydrophobicContact CG2-CG 4.22Å; I172-C401 HydrophobicContact CD1-CB 4.34Å; I172-C401 HydrophobicContact CG1-CB 4.42Å; I172-C401 PolarHBondContact N-O 3.33Å; I172-S402 WeakPolarHBondContact O-CA 3.49Å; I172-V403 PolarHBondContact O-N 2.94Å
173Q84.6Confident86.1Confident24 Ų2433.4 Ų33.411%0.11220%0.195CC..PPolyproline II helixtrans-87.6128.7168.6-64.4-160.1-42.200110.6R209 L210 Y224 V403 Y410Q173-R209 HydrophobicContact CB-CG 3.91Å; Q173-R209 CarbonylContact O-C 3.58Å; Q173-R209 WeakPolarHBondContact O-CA 3.5Å; Q173-R209 WeakPolarHBondContact O-CB 3.49Å; Q173-L210 PolarHBondContact O-N 2.91Å; Q173-Y224 WeakPolarHBondContact CB-OH 3.49Å; Q173-Y224 PolarHBondContact N-OH 3.12Å; Q173-V403 HydrophobicContact CG-CG1 3.93Å; Q173-Y410 PolarHBondContact NE2-OH 2.87Å
174F83.2Confident86.5Confident62 Ų6237.4 Ų37.427%0.27221%0.207SC..BIsolated β-bridgetrans-101158.3175-65.5-91.8000110.7I172 L210 L217 S402I172-F174 HydrophobicContact CB-CE2 3.86Å; I172-F174 HydrophobicContact CB-CZ 4.18Å; I172-F174 HydrophobicContact CG2-CD2 4.38Å; I172-F174 HydrophobicContact CG2-CE1 4.48Å; I172-F174 HydrophobicContact CG2-CE2 3.96Å; I172-F174 HydrophobicContact CG2-CZ 4.02Å; I172-F174 WeakPolarHBondContact O-CD2 3.34Å; F174-L210 WeakPolarHBondContact CA-O 3.38Å; F174-L210 HydrophobicContact CD1-CB 4.25Å; F174-L210 HydrophobicContact CD1-CD2 4.41Å; F174-L210 HydrophobicContact CD1-CG 4.42Å; F174-L210 HydrophobicContact CE1-CB 4.25Å; F174-L210 HydrophobicContact CE1-CD2 3.61Å; F174-L210 HydrophobicContact CE1-CG 4.07Å; F174-L210 HydrophobicContact CZ-CD2 4.03Å; F174-L217 HydrophobicContact CE1-CD2 4.29Å; F174-L217 HydrophobicContact CZ-CD1 4.37Å; F174-L217 HydrophobicContact CZ-CD2 4.03Å; F174-S402 WeakPolarHBondContact CD2-OG 3.26Å
175I77.4Confident86.8Confident18 Ų1837.1 Ų37.19%0.09221%0.205CC..  trans-120.3131.6171-172.5172.9000109.3I177 F206 R209 L210 I211 Q332I175-I177 HydrophobicContact CG1-CG2 4.42Å; I175-I177 HydrophobicContact CG2-CG2 4.16Å; I175-F206 HydrophobicContact CD1-CD1 4.29Å; I175-R209 HydrophobicContact CB-CB 4.17Å; I175-R209 HydrophobicContact CG2-CB 4.33Å; I175-L210 PolarHBondContact N-O 2.89Å; I175-I211 HydrophobicContact CG2-CD1 3.84Å; I175-I211 HydrophobicContact CG2-CG1 3.22Å; I175-Q332 HydrophobicContact CD1-CG 4.49Å
176S72Confident87Confident60 Ų6040 Ų4042%0.4222%0.219SC..  trans-75128.5171-169.70000108.7
177I80.2Confident87.3Confident32 Ų3241.4 Ų41.416%0.16424%0.235CC..  trans-130.3153.9177.259.9166.8000109.6I175 F182 I185 I211 L328I175-I177 HydrophobicContact CG1-CG2 4.42Å; I175-I177 HydrophobicContact CG2-CG2 4.16Å; I177-F182 HydrophobicContact CD1-CB 3.72Å; I177-F182 HydrophobicContact CD1-CD2 3.99Å; I177-F182 HydrophobicContact CD1-CG 4.35Å; I177-F182 HydrophobicContact CG1-CB 4.08Å; I177-F182 HydrophobicContact CG1-CD2 4.35Å; I177-I185 HydrophobicContact CD1-CD1 3.62Å; I177-I211 HydrophobicContact CD1-CD1 4.32Å; I177-I211 HydrophobicContact CD1-CG1 4.5Å; I177-I211 HydrophobicContact CD1-CG2 3.42Å; I177-I211 VanDerWaalsContact CD1-CG2 3.42Å; I177-I211 HydrophobicContact CG1-CG2 4.27Å; I177-I211 HydrophobicContact CG2-CD1 4.18Å; I177-I211 HydrophobicContact CG2-CG1 4.46Å; I177-L328 HydrophobicContact CG2-CD2 4.31Å
178E83Confident87.6Confident87 Ų8740.6 Ų40.641%0.40723%0.231SC..  trans-59.6143.4176.6-67.8-169.5170.100111.2T180 D181 F182E178-T180 PolarHBondContact O-N 2.82Å; E178-D181 PolarHBondContact O-N 2.9Å; E178-F182 PolarHBondContact O-N 3.14Å
179P86.5Confident87.9Confident114 Ų11440 Ų4074%0.7423%0.227SC*.Hα-helixtrans-53.3-31.9177.2-2834.7000113.4G183P179-G183 PolarHBondContact O-N 2.93Å
180T89.5Confident88Confident73 Ų7343.3 Ų43.345%0.44825%0.245SC..Hα-helixtrans-68.8-37.8178.7790000112.5E178 R184E178-T180 PolarHBondContact O-N 2.82Å; T180-R184 WeakPolarHBondContact O-CG 3.43Å; T180-R184 PolarHBondContact O-N 2.83Å; T180-R184 PolarHBondContact O-NH1 3.09Å; T180-R184 PolarHBondContact OG1-NH1 3.29Å
181D89.4Confident88.3Confident6 Ų648.7 Ų48.73%0.03226%0.264CS..Hα-helixtrans-77-36.5177.8-69.8-26.2000111E178 G183 R184 I185 R327 L328 N331E178-D181 PolarHBondContact O-N 2.9Å; D181-G183 VanDerWaalsContact C-N 3.32Å; D181-G183 PolarHBondContact O-N 3.3Å; D181-R184 WeakPolarHBondContact O-CB 3.35Å; D181-R184 PolarHBondContact O-N 3.32Å; D181-R184 VanDerWaalsContact O-N 3.13Å; D181-R184 IonicContact OD1-CZ 3.9Å; D181-R184 IonicContact OD1-NH1 2.82Å; D181-R184 PolarHBondContact OD1-NH1 3.42Å; D181-I185 WeakPolarHBondContact O-CG1 3.46Å; D181-I185 PolarHBondContact O-N 3.29Å; D181-R327 WeakPolarHBondContact OD1-CD 3.41Å; D181-R327 IonicContact OD1-CZ 3.8Å; D181-R327 IonicContact OD1-NE 2.82Å; D181-R327 PolarHBondContact OD1-NE 2.76Å; D181-R327 IonicContact OD1-NH2 3.93Å; D181-L328 HydrophobicContact CB-CD2 3.92Å; D181-N331 PolarHBondContact OD2-ND2 3.49Å
182F89.9Confident88.6Confident82 Ų8248.5 Ų48.536%0.3626%0.262SS..Hα-helixtrans-57.1-46.6170.5-173.6-90000111.4I177 E178 R184 I185 H186 I211 Y212I177-F182 HydrophobicContact CD1-CB 3.72Å; I177-F182 HydrophobicContact CD1-CD2 3.99Å; I177-F182 HydrophobicContact CD1-CG 4.35Å; I177-F182 HydrophobicContact CG1-CB 4.08Å; I177-F182 HydrophobicContact CG1-CD2 4.35Å; E178-F182 PolarHBondContact O-N 3.14Å; F182-R184 VanDerWaalsContact C-N 3.28Å; F182-R184 PolarHBondContact O-N 2.69Å; F182-I185 PolarHBondContact O-N 3Å; F182-H186 WeakPolarHBondContact O-CB 3.36Å; F182-H186 PolarHBondContact O-N 3.34Å; F182-I211 HydrophobicContact CD2-CG2 4.22Å; F182-Y212 AromaticContact CE2-CD2 3.97Å; F182-Y212 HydrophobicContact CE2-CD2 3.97Å; F182-Y212 AromaticContact CZ-CD2 3.64Å; F182-Y212 HydrophobicContact CZ-CD2 3.64Å; F182-Y212 HydrophobicContact CZ-CE2 4.2Å
183G91.9Very high88.8Confident42 Ų4251.3 Ų51.343%0.43328%0.275SS..Hα-helixtrans-60.1-34.517600000113.6P179 D181 G187P179-G183 PolarHBondContact O-N 2.93Å; D181-G183 VanDerWaalsContact C-N 3.32Å; D181-G183 PolarHBondContact O-N 3.3Å; G183-G187 PolarHBondContact O-N 3.07Å
184R93.2Very high89.2Confident105 Ų10559.5 Ų59.540%0.39631%0.306SS..Hα-helixtrans-69.9-42.5175.4-71.2177.1-175.893.611.2112.4T180 D181 F182 H186 G187 L188 L324T180-R184 WeakPolarHBondContact O-CG 3.43Å; T180-R184 PolarHBondContact O-N 2.83Å; T180-R184 PolarHBondContact O-NH1 3.09Å; T180-R184 PolarHBondContact OG1-NH1 3.29Å; D181-R184 WeakPolarHBondContact O-CB 3.35Å; D181-R184 PolarHBondContact O-N 3.32Å; D181-R184 VanDerWaalsContact O-N 3.13Å; D181-R184 IonicContact OD1-CZ 3.9Å; D181-R184 IonicContact OD1-NH1 2.82Å; D181-R184 PolarHBondContact OD1-NH1 3.42Å; F182-R184 VanDerWaalsContact C-N 3.28Å; F182-R184 PolarHBondContact O-N 2.69Å; R184-H186 VanDerWaalsContact C-N 3.34Å; R184-G187 PolarHBondContact O-N 3.37Å; R184-L188 PolarHBondContact O-N 2.9Å; R184-L324 HydrophobicContact CB-CD1 4.03Å
185I92.6Very high89.8Confident1 Ų159.4 Ų59.41%0.00531%0.314CS..Hα-helixtrans-60-50.2175.6-67.4167.9000109.1I177 D181 F182 G187 L188 L189 F204 I211 L324 L328I177-I185 HydrophobicContact CD1-CD1 3.62Å; D181-I185 WeakPolarHBondContact O-CG1 3.46Å; D181-I185 PolarHBondContact O-N 3.29Å; F182-I185 PolarHBondContact O-N 3Å; I185-G187 VanDerWaalsContact C-N 3.31Å; I185-G187 PolarHBondContact O-N 3.29Å; I185-L188 WeakPolarHBondContact O-CB 3.13Å; I185-L188 PolarHBondContact O-N 3.28Å; I185-L188 VanDerWaalsContact O-N 3.1Å; I185-L189 HydrophobicContact CG2-CD1 4.13Å; I185-L189 HydrophobicContact CG2-CG 4.46Å; I185-L189 WeakPolarHBondContact O-CG 3.45Å; I185-L189 PolarHBondContact O-N 2.89Å; I185-F204 HydrophobicContact CD1-CD1 4.14Å; I185-F204 HydrophobicContact CD1-CE1 3.97Å; I185-F204 HydrophobicContact CD1-CZ 4.42Å; I185-F204 HydrophobicContact CG1-CE1 4.35Å; I185-F204 HydrophobicContact CG1-CZ 4.34Å; I185-F204 HydrophobicContact CG2-CB 3.97Å; I185-F204 HydrophobicContact CG2-CD1 4.12Å; I185-F204 HydrophobicContact CG2-CD2 3.83Å; I185-F204 HydrophobicContact CG2-CE2 4.35Å; I185-F204 HydrophobicContact CG2-CG 3.7Å; I185-I211 HydrophobicContact CD1-CD1 3.87Å; I185-I211 HydrophobicContact CD1-CG2 3.74Å; I185-L324 HydrophobicContact CD1-CD2 4.25Å; I185-L324 HydrophobicContact CG1-CD1 3.84Å; I185-L324 HydrophobicContact CG1-CD2 3.67Å; I185-L324 HydrophobicContact CG1-CG 4.3Å; I185-L328 HydrophobicContact CD1-CD1 4.21Å
186H92.8Very high90.5Very high60 Ų6059.4 Ų59.428%0.27831%0.313SS..Hα-helixtrans-59.4-41.5177.2-164.3-63.7000112.2F182 R184 L188 L189 N190 Y212F182-H186 WeakPolarHBondContact O-CB 3.36Å; F182-H186 PolarHBondContact O-N 3.34Å; R184-H186 VanDerWaalsContact C-N 3.34Å; H186-L188 VanDerWaalsContact C-N 3.33Å; H186-L188 PolarHBondContact O-N 2.96Å; H186-L189 PolarHBondContact O-N 2.94Å; H186-N190 PolarHBondContact CE1-ND2 3.28Å; H186-N190 VanDerWaalsContact CE1-ND2 3.28Å; H186-N190 PolarHBondContact CE1-OD1 3.5Å; H186-N190 PolarHBondContact ND1-ND2 2.83Å; H186-N190 PolarHBondContact ND1-OD1 3.06Å; H186-N190 WeakPolarHBondContact O-CB 3.15Å; H186-N190 VanDerWaalsContact O-CG 3.26Å; H186-N190 PolarHBondContact O-N 3.17Å; H186-N190 PolarHBondContact O-OD1 2.94Å; H186-Y212 AromaticContact CD2-CE2 3.94Å; H186-Y212 AromaticContact CD2-CZ 4Å
187G94.8Very high91.3Very high39 Ų3963.5 Ų63.540%0.40233%0.33SS..Hα-helixtrans-63-36.2175.400000113.5G183 R184 I185 R191G183-G187 PolarHBondContact O-N 3.07Å; R184-G187 PolarHBondContact O-N 3.37Å; I185-G187 VanDerWaalsContact C-N 3.31Å; I185-G187 PolarHBondContact O-N 3.29Å; G187-R191 WeakPolarHBondContact O-CB 3.43Å; G187-R191 PolarHBondContact O-N 3.31Å
188L95.4Very high91.8Very high12 Ų1264.4 Ų64.46%0.06334%0.339CS..Hα-helixtrans-67.9-46.6174.5176.861000111.4R184 I185 H186 R191 I192 R320 L321R184-L188 PolarHBondContact O-N 2.9Å; I185-L188 WeakPolarHBondContact O-CB 3.13Å; I185-L188 PolarHBondContact O-N 3.28Å; I185-L188 VanDerWaalsContact O-N 3.1Å; H186-L188 VanDerWaalsContact C-N 3.33Å; H186-L188 PolarHBondContact O-N 2.96Å; L188-R191 WeakPolarHBondContact O-CB 3.38Å; L188-R191 PolarHBondContact O-N 3.19Å; L188-I192 HydrophobicContact CD1-CD1 4.19Å; L188-I192 HydrophobicContact CD1-CG1 4.49Å; L188-I192 HydrophobicContact CG-CD1 3.97Å; L188-I192 WeakPolarHBondContact O-CG1 2.99Å; L188-I192 PolarHBondContact O-N 3.01Å; L188-R320 HydrophobicContact CD1-CB 3.96Å; L188-L321 HydrophobicContact CD2-CD1 4.28Å
189L94.2Very high92.1Very high1 Ų161 Ų611%0.00532%0.324CS..Hα-helixtrans-62.2-46.7179.7-65.7178.9000111.8I185 H186 R191 I192 E193 F204 Y212 L295I185-L189 HydrophobicContact CG2-CD1 4.13Å; I185-L189 HydrophobicContact CG2-CG 4.46Å; I185-L189 WeakPolarHBondContact O-CG 3.45Å; I185-L189 PolarHBondContact O-N 2.89Å; H186-L189 PolarHBondContact O-N 2.94Å; L189-R191 PolarHBondContact O-N 3.43Å; L189-I192 HydrophobicContact CD2-CD1 4.35Å; L189-I192 WeakPolarHBondContact O-CA 3Å; L189-I192 WeakPolarHBondContact O-CB 3.22Å; L189-I192 PolarHBondContact O-N 3.22Å; L189-E193 WeakPolarHBondContact O-CG 3.32Å; L189-E193 PolarHBondContact O-N 3Å; L189-F204 HydrophobicContact CD1-CB 4.44Å; L189-Y212 HydrophobicContact CD1-CD1 3.2Å; L189-Y212 HydrophobicContact CD1-CE1 3.63Å; L189-Y212 HydrophobicContact CD1-CG 4.17Å; L189-L295 HydrophobicContact CD2-CD1 3.35Å
190N93.2Very high92.3Very high74 Ų7458.9 Ų58.940%0.39630%0.304SS..Hα-helixtrans-57-38.4174.7-73.6-2.9000112.3H186 Y194H186-N190 PolarHBondContact CE1-ND2 3.28Å; H186-N190 VanDerWaalsContact CE1-ND2 3.28Å; H186-N190 PolarHBondContact CE1-OD1 3.5Å; H186-N190 PolarHBondContact ND1-ND2 2.83Å; H186-N190 PolarHBondContact ND1-OD1 3.06Å; H186-N190 WeakPolarHBondContact O-CB 3.15Å; H186-N190 VanDerWaalsContact O-CG 3.26Å; H186-N190 PolarHBondContact O-N 3.17Å; H186-N190 PolarHBondContact O-OD1 2.94Å; N190-Y194 VanDerWaalsContact O-CB 3.31Å; N190-Y194 WeakPolarHBondContact O-CB 3.31Å; N190-Y194 PolarHBondContact O-N 2.86Å
191R94.4Very high92.5Very high126 Ų12657.2 Ų57.248%0.47529%0.291SS..Hα-helixtrans-69.5-36.8178.1-172.5176.3-175.31486.1111.7G187 L188 L189 S195 M316G187-R191 WeakPolarHBondContact O-CB 3.43Å; G187-R191 PolarHBondContact O-N 3.31Å; L188-R191 WeakPolarHBondContact O-CB 3.38Å; L188-R191 PolarHBondContact O-N 3.19Å; L189-R191 PolarHBondContact O-N 3.43Å; R191-S195 VanDerWaalsContact O-CB 3.31Å; R191-S195 WeakPolarHBondContact O-CB 3.4Å; R191-S195 PolarHBondContact O-N 3.14Å; R191-S195 PolarHBondContact O-OG 2.95Å; R191-M316 HydrophobicContact CG-CE 4.27Å; R191-M316 HydrophobicContact CG-SD 4.43Å
192I94.9Very high92.7Very high0 Ų057 Ų570%029%0.29CS..Hα-helixtrans-63-53173.9-70.3159.4000109.2L188 L189 Y194 S195 F196 L295 L297 F313 M316 V317L188-I192 HydrophobicContact CD1-CD1 4.19Å; L188-I192 HydrophobicContact CD1-CG1 4.49Å; L188-I192 HydrophobicContact CG-CD1 3.97Å; L188-I192 WeakPolarHBondContact O-CG1 2.99Å; L188-I192 PolarHBondContact O-N 3.01Å; L189-I192 HydrophobicContact CD2-CD1 4.35Å; L189-I192 WeakPolarHBondContact O-CA 3Å; L189-I192 WeakPolarHBondContact O-CB 3.22Å; L189-I192 PolarHBondContact O-N 3.22Å; I192-Y194 VanDerWaalsContact C-N 3.27Å; I192-Y194 PolarHBondContact O-N 3.25Å; I192-S195 PolarHBondContact O-N 3.13Å; I192-F196 HydrophobicContact CG2-CD2 4.12Å; I192-F196 WeakPolarHBondContact O-CB 3.24Å; I192-F196 WeakPolarHBondContact O-CD2 3.48Å; I192-F196 PolarHBondContact O-N 2.68Å; I192-L295 HydrophobicContact CD1-CD2 3.51Å; I192-L297 HydrophobicContact CG2-CD1 4.37Å; I192-L297 HydrophobicContact CG2-CD2 4.25Å; I192-F313 HydrophobicContact CG1-CE2 4.45Å; I192-F313 HydrophobicContact CG2-CE2 3.92Å; I192-M316 HydrophobicContact CB-CE 4.36Å; I192-M316 HydrophobicContact CG1-CE 3.65Å; I192-V317 HydrophobicContact CD1-CG1 4.33Å; I192-V317 HydrophobicContact CD1-CG2 3.91Å; I192-V317 HydrophobicContact CG1-CG2 3.7Å
193E92.5Very high92.8Very high60 Ų6053.1 Ų53.128%0.2827%0.273SS..Hα-helixtrans-57.3-40.2179.6-70.9173.3-173.200112.1L189 F196 T199 S202L189-E193 WeakPolarHBondContact O-CG 3.32Å; L189-E193 PolarHBondContact O-N 3Å; E193-F196 CarbonylContact O-C 3.57Å; E193-T199 HydrophobicContact CG-CG2 4.49Å; E193-S202 PolarHBondContact OE1-OG 3.49Å
194Y92.8Very high92.9Very high195 Ų19551.1 Ų51.177%0.76525%0.253SS*.Hα-helixtrans-69.9-35.8175.9-176.5-95.2000114N190 I192 N197N190-Y194 VanDerWaalsContact O-CB 3.31Å; N190-Y194 WeakPolarHBondContact O-CB 3.31Å; N190-Y194 PolarHBondContact O-N 2.86Å; I192-Y194 VanDerWaalsContact C-N 3.27Å; I192-Y194 PolarHBondContact O-N 3.25Å; Y194-N197 PolarHBondContact O-OD1 2.92Å
195S94.5Very high92.7Very high61 Ų6146.2 Ų46.243%0.42723%0.234SC..Hα-helixtrans-81.2-25.7-178.7-52.20000111.8R191 I192R191-S195 VanDerWaalsContact O-CB 3.31Å; R191-S195 WeakPolarHBondContact O-CB 3.4Å; R191-S195 PolarHBondContact O-N 3.14Å; R191-S195 PolarHBondContact O-OG 2.95Å; I192-S195 PolarHBondContact O-N 3.13Å
196F93.7Very high92.4Very high18 Ų1846.1 Ų46.18%0.07923%0.234CC..  trans-129.976.1-172.6-60.9-72.6000110.2I192 E193 C198 T199 F309 E312 F313 M316I192-F196 HydrophobicContact CG2-CD2 4.12Å; I192-F196 WeakPolarHBondContact O-CB 3.24Å; I192-F196 WeakPolarHBondContact O-CD2 3.48Å; I192-F196 PolarHBondContact O-N 2.68Å; E193-F196 CarbonylContact O-C 3.57Å; F196-C198 PolarHBondContact O-N 3.46Å; F196-T199 WeakPolarHBondContact O-CB 3.11Å; F196-T199 PolarHBondContact O-N 2.91Å; F196-T199 PolarHBondContact O-OG1 3.49Å; F196-F309 HydrophobicContact CB-CE2 3.91Å; F196-F309 AromaticContact CD1-CD2 3.59Å; F196-F309 HydrophobicContact CD1-CD2 3.59Å; F196-F309 AromaticContact CD1-CE2 3.29Å; F196-F309 HydrophobicContact CD1-CE2 3.29Å; F196-F309 HydrophobicContact CD1-CZ 4.15Å; F196-F309 HydrophobicContact CE1-CD2 4.04Å; F196-F309 HydrophobicContact CE1-CE2 4Å; F196-F309 HydrophobicContact CG-CD2 4.48Å; F196-F309 AromaticContact CG-CE2 3.75Å; F196-F309 HydrophobicContact CG-CE2 3.75Å; F196-F309 HydrophobicContact CG-CZ 4.38Å; F196-E312 HydrophobicContact CE1-CB 4.44Å; F196-E312 HydrophobicContact CE1-CG 4.36Å; F196-E312 HydrophobicContact CZ-CB 4.5Å; F196-E312 HydrophobicContact CZ-CG 4.23Å; F196-F313 AromaticContact CD2-CD2 3.92Å; F196-F313 HydrophobicContact CD2-CD2 3.92Å; F196-F313 HydrophobicContact CD2-CE2 4.46Å; F196-F313 HydrophobicContact CE1-CB 4.24Å; F196-F313 HydrophobicContact CE2-CB 4.28Å; F196-F313 AromaticContact CE2-CD2 3.64Å; F196-F313 HydrophobicContact CE2-CD2 3.64Å; F196-F313 HydrophobicContact CE2-CE2 4.41Å; F196-F313 HydrophobicContact CE2-CG 4.38Å; F196-F313 VanDerWaalsContact CZ-CA 3.47Å; F196-F313 HydrophobicContact CZ-CB 3.82Å; F196-F313 HydrophobicContact CZ-CD2 4.02Å; F196-F313 HydrophobicContact CZ-CG 4.4Å; F196-M316 HydrophobicContact CD2-CE 4.37Å; F196-M316 HydrophobicContact CE2-CE 3.81Å
197N87.9Confident91.8Very high146 Ų14646.1 Ų46.178%0.78123%0.234SC*.THydrogen-bonded Turntrans-58.3-11.8-176-66.4-9.8000115.2Y194Y194-N197 PolarHBondContact O-OD1 2.92Å
198C89.8Confident91.2Very high51 Ų5145 Ų4535%0.34522%0.223SC..THydrogen-bonded Turntrans-81.9-12.9174.759.60000113.6F196 E200 I299 K300F196-C198 PolarHBondContact O-N 3.46Å; C198-E200 PolarHBondContact O-N 3.16Å; C198-I299 HydrophobicContact CB-CG2 3.9Å; C198-I299 WeakPolarHBondContact O-CA 2.89Å; C198-K300 PolarHBondContact O-N 2.83Å
199T91.1Very high90.6Very high14 Ų1446 Ų469%0.08623%0.226CC..EExtended strand (participates in β ladder)trans-72.1112.4174.4-59.70000109.3E193 F196 L297E193-T199 HydrophobicContact CG-CG2 4.49Å; F196-T199 WeakPolarHBondContact O-CB 3.11Å; F196-T199 PolarHBondContact O-N 2.91Å; F196-T199 PolarHBondContact O-OG1 3.49Å; T199-L297 HydrophobicContact CG2-CB 4.47Å; T199-L297 HydrophobicContact CG2-CD2 3.94Å
200E89.9Confident90.4Very high70 Ų7046 Ų4633%0.32723%0.226SC..EExtended strand (participates in β ladder)trans-86.5-38.3179.5-170167.1173.900111C198 C283 L298 K300C198-E200 PolarHBondContact O-N 3.16Å; E200-C283 PolarHBondContact OE2-SG 2.82Å; E200-C283 VanDerWaalsContact OE2-SG 3.37Å; E200-L298 PolarHBondContact N-O 3.08Å; E200-K300 HydrophobicContact CB-CB 4.37Å; E200-K300 WeakPolarHBondContact OE2-CB 3.38Å; E200-K300 WeakPolarHBondContact OE2-CG 3.34Å
201H92.8Very high90.1Very high38 Ų3843.4 Ų43.418%0.17621%0.211CC..EExtended strand (participates in β ladder)trans-145.7153.1179.7-62.5-59.3000112.8T214 L215 L298H201-T214 VanDerWaalsContact CA-OG1 3.27Å; H201-T214 WeakPolarHBondContact CA-OG1 3.42Å; H201-T214 WeakPolarHBondContact CB-OG1 3.36Å; H201-L215 HydrophobicContact CB-CD1 4.2Å; H201-L215 HydrophobicContact CB-CD2 3.71Å; H201-L215 HydrophobicContact CB-CG 3.65Å; H201-L215 WeakPolarHBondContact CD2-CD2 3.47Å; H201-L298 HydrophobicContact CB-CB 4.22Å; H201-L298 HydrophobicContact CB-CD1 4.3Å; H201-L298 PolarHBondContact N-O 2.93Å; H201-L298 PolarHBondContact O-N 3.47Å
202S93.4Very high89.9Confident1 Ų140 Ų401%0.00720%0.199CC..EExtended strand (participates in β ladder)trans-135.9146177.867.10000111.9E193 S213 T214 C296E193-S202 PolarHBondContact OE1-OG 3.49Å; S202-S213 WeakPolarHBondContact O-CA 3.21Å; S202-T214 PolarHBondContact N-OG1 2.72Å; S202-T214 PolarHBondContact O-N 3.1Å; S202-T214 PolarHBondContact O-OG1 2.99Å; S202-C296 CarbonylContact C-O 3.5Å; S202-C296 WeakPolarHBondContact CA-O 3.43Å
203A93.2Very high89.8Confident2 Ų241.1 Ų41.12%0.01721%0.207CC..EExtended strand (participates in β ladder)trans-138.4137.7172.500000110.6F205 L210 Y212 C296A203-F205 HydrophobicContact CB-CE2 3.71Å; A203-F205 HydrophobicContact CB-CZ 3.96Å; A203-L210 HydrophobicContact CB-CD1 4.41Å; A203-Y212 CarbonylContact C-O 3.53Å; A203-Y212 WeakPolarHBondContact CA-O 3.31Å; A203-C296 HydrophobicContact CB-CB 4.22Å; A203-C296 PolarHBondContact N-O 3.29Å; A203-C296 PolarHBondContact O-N 3.11Å
204F92.8Very high89.7Confident0 Ų040.4 Ų40.40%021%0.206CC..EExtended strand (participates in β ladder)trans-116.2124.5-176.6-168.6-77000110.4I185 L189 F206 I211 Y212 A293 L295 L321 L324 L328I185-F204 HydrophobicContact CD1-CD1 4.14Å; I185-F204 HydrophobicContact CD1-CE1 3.97Å; I185-F204 HydrophobicContact CD1-CZ 4.42Å; I185-F204 HydrophobicContact CG1-CE1 4.35Å; I185-F204 HydrophobicContact CG1-CZ 4.34Å; I185-F204 HydrophobicContact CG2-CB 3.97Å; I185-F204 HydrophobicContact CG2-CD1 4.12Å; I185-F204 HydrophobicContact CG2-CD2 3.83Å; I185-F204 HydrophobicContact CG2-CE2 4.35Å; I185-F204 HydrophobicContact CG2-CG 3.7Å; L189-F204 HydrophobicContact CD1-CB 4.44Å; F204-F206 HydrophobicContact CE1-CB 4.37Å; F204-I211 HydrophobicContact CD1-CB 4.11Å; F204-I211 HydrophobicContact CD1-CD1 3.82Å; F204-I211 HydrophobicContact CD1-CG1 4.41Å; F204-I211 HydrophobicContact CE1-CD1 3.81Å; F204-I211 PolarHBondContact O-N 3.43Å; F204-Y212 PolarHBondContact N-O 3.38Å; F204-Y212 PolarHBondContact O-N 2.95Å; F204-A293 HydrophobicContact CE1-CB 4.35Å; F204-A293 HydrophobicContact CZ-CB 3.8Å; F204-L295 HydrophobicContact CD2-CD1 4.37Å; F204-L321 HydrophobicContact CD2-CD1 4.44Å; F204-L321 HydrophobicContact CE2-CD1 3.4Å; F204-L321 HydrophobicContact CZ-CD1 3.89Å; F204-L324 HydrophobicContact CE1-CD2 4.26Å; F204-L324 HydrophobicContact CE2-CD2 4.03Å; F204-L324 HydrophobicContact CZ-CD2 3.45Å; F204-L324 VanDerWaalsContact CZ-CD2 3.45Å; F204-L328 HydrophobicContact CE1-CD1 4.04Å; F204-L328 HydrophobicContact CZ-CD1 4.3Å
205F90Very high89.5Confident1 Ų131.6 Ų31.60%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-118.6147.2178.4-54-90.7000110.6A203 R209 L210 V220 Y224 L227 A293 V294 C296A203-F205 HydrophobicContact CB-CE2 3.71Å; A203-F205 HydrophobicContact CB-CZ 3.96Å; F205-R209 CarbonylContact C-O 3.51Å; F205-R209 WeakPolarHBondContact CA-O 3.24Å; F205-R209 WeakPolarHBondContact CB-O 3.35Å; F205-L210 HydrophobicContact CD1-CB 4.07Å; F205-L210 HydrophobicContact CD1-CD1 3.86Å; F205-L210 HydrophobicContact CE1-CB 3.99Å; F205-L210 HydrophobicContact CE1-CD1 3.41Å; F205-L210 VanDerWaalsContact CE1-CD1 3.41Å; F205-L210 HydrophobicContact CE1-CG 4.25Å; F205-L210 HydrophobicContact CE2-CD1 4.47Å; F205-L210 HydrophobicContact CZ-CD1 3.77Å; F205-V220 HydrophobicContact CZ-CG1 4.32Å; F205-Y224 HydrophobicContact CD1-CD2 4.12Å; F205-Y224 AromaticContact CE1-CD2 3.76Å; F205-Y224 HydrophobicContact CE1-CD2 3.76Å; F205-L227 HydrophobicContact CD2-CD1 4Å; F205-L227 HydrophobicContact CE2-CD1 3.54Å; F205-L227 HydrophobicContact CZ-CD1 3.88Å; F205-A293 WeakPolarHBondContact O-CA 3.03Å; F205-V294 HydrophobicContact CB-CB 4.31Å; F205-V294 PolarHBondContact N-O 3.38Å; F205-V294 PolarHBondContact O-N 3.47Å; F205-C296 HydrophobicContact CD2-CB 4.41Å; F205-C296 HydrophobicContact CE2-CB 3.83Å
206F86.5Confident89.2Confident0 Ų033.2 Ų33.20%018%0.177CC..EExtended strand (participates in β ladder)trans-137.5129.6170.4-172.3-91.8000109I175 F204 G208 R209 I211 R292 A293 A325 L328 A329I175-F206 HydrophobicContact CD1-CD1 4.29Å; F204-F206 HydrophobicContact CE1-CB 4.37Å; F206-G208 PolarHBondContact O-N 3.01Å; F206-R209 PolarHBondContact N-O 2.82Å; F206-R209 WeakPolarHBondContact O-CB 3.42Å; F206-R209 PolarHBondContact O-N 3.35Å; F206-I211 HydrophobicContact CB-CD1 3.57Å; F206-I211 HydrophobicContact CB-CG1 4.46Å; F206-R292 WeakPolarHBondContact CA-O 2.98Å; F206-R292 HydrophobicContact CD2-CB 4.29Å; F206-R292 HydrophobicContact CE1-CB 4.42Å; F206-R292 HydrophobicContact CE2-CB 3.78Å; F206-R292 HydrophobicContact CZ-CB 3.87Å; F206-A293 HydrophobicContact CD2-CB 4.05Å; F206-A325 HydrophobicContact CE2-CB 4.38Å; F206-L328 HydrophobicContact CB-CD1 4.32Å; F206-L328 HydrophobicContact CD2-CB 3.97Å; F206-L328 HydrophobicContact CD2-CD1 3.56Å; F206-L328 HydrophobicContact CD2-CG 4.45Å; F206-L328 HydrophobicContact CE1-CB 4.29Å; F206-L328 HydrophobicContact CE2-CB 3.58Å; F206-L328 HydrophobicContact CE2-CD1 4.03Å; F206-L328 HydrophobicContact CE2-CG 4.48Å; F206-L328 HydrophobicContact CG-CB 4.45Å; F206-L328 HydrophobicContact CG-CD1 3.97Å; F206-L328 HydrophobicContact CZ-CB 3.75Å; F206-A329 HydrophobicContact CZ-CB 4.23Å
207E80.8Confident89Confident59 Ų5934.8 Ų34.828%0.27619%0.185SC..THydrogen-bonded Turntrans52.242.3-177-70.9-177.3177.200113.4R209 R292 Q332E207-R209 PolarHBondContact O-N 3.34Å; E207-R209 VanDerWaalsContact O-N 3.16Å; E207-R209 IonicContact OE2-CZ 2.95Å; E207-R209 IonicContact OE2-NH2 2.62Å; E207-R209 PolarHBondContact OE2-NH2 3.11Å; E207-R292 HydrophobicContact CG-CB 3.99Å; E207-R292 HydrophobicContact CG-CG 4.36Å; E207-R292 PolarHBondContact N-O 2.75Å; E207-R292 VanDerWaalsContact OE1-CD 3.25Å; E207-R292 WeakPolarHBondContact OE1-CD 3.4Å; E207-R292 IonicContact OE1-CZ 2.78Å; E207-R292 IonicContact OE1-NE 3.78Å; E207-R292 IonicContact OE1-NH1 3.99Å; E207-R292 PolarHBondContact OE1-NH1 2.8Å; E207-Q332 PolarHBondContact OE2-OE1 2.85Å
208G80.3Confident88.8Confident17 Ų1731.1 Ų31.118%0.17517%0.168CC..THydrogen-bonded Turntrans70.64.5-179.500000114.9F206 Y224F206-G208 PolarHBondContact O-N 3.01Å; G208-Y224 WeakPolarHBondContact O-CE2 3.26Å
209R84.4Confident88.6Confident33 Ų3329.9 Ų29.913%0.12516%0.157CC..EExtended strand (participates in β ladder)trans-108.5146.8-179.7-65.2174.7-85.5169.9-7.2111.1Q173 I175 F205 F206 E207 F336Q173-R209 HydrophobicContact CB-CG 3.91Å; Q173-R209 CarbonylContact O-C 3.58Å; Q173-R209 WeakPolarHBondContact O-CA 3.5Å; Q173-R209 WeakPolarHBondContact O-CB 3.49Å; I175-R209 HydrophobicContact CB-CB 4.17Å; I175-R209 HydrophobicContact CG2-CB 4.33Å; F205-R209 CarbonylContact C-O 3.51Å; F205-R209 WeakPolarHBondContact CA-O 3.24Å; F205-R209 WeakPolarHBondContact CB-O 3.35Å; F206-R209 PolarHBondContact N-O 2.82Å; F206-R209 WeakPolarHBondContact O-CB 3.42Å; F206-R209 PolarHBondContact O-N 3.35Å; E207-R209 PolarHBondContact O-N 3.34Å; E207-R209 VanDerWaalsContact O-N 3.16Å; E207-R209 IonicContact OE2-CZ 2.95Å; E207-R209 IonicContact OE2-NH2 2.62Å; E207-R209 PolarHBondContact OE2-NH2 3.11Å; R209-F336 VanDerWaalsContact NH1-CE1 3.27Å
210L88.6Confident88.5Confident1 Ų129.3 Ų29.31%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-80.6132.7179.3-176.966.9000110.5I172 Q173 F174 I175 A203 F205 Y212 L217 V220I172-L210 HydrophobicContact CD1-CD2 4.21Å; I172-L210 HydrophobicContact CG2-CB 3.53Å; I172-L210 HydrophobicContact CG2-CD2 3.85Å; I172-L210 HydrophobicContact CG2-CG 4.34Å; Q173-L210 PolarHBondContact O-N 2.91Å; F174-L210 WeakPolarHBondContact CA-O 3.38Å; F174-L210 HydrophobicContact CD1-CB 4.25Å; F174-L210 HydrophobicContact CD1-CD2 4.41Å; F174-L210 HydrophobicContact CD1-CG 4.42Å; F174-L210 HydrophobicContact CE1-CB 4.25Å; F174-L210 HydrophobicContact CE1-CD2 3.61Å; F174-L210 HydrophobicContact CE1-CG 4.07Å; F174-L210 HydrophobicContact CZ-CD2 4.03Å; I175-L210 PolarHBondContact N-O 2.89Å; A203-L210 HydrophobicContact CB-CD1 4.41Å; F205-L210 HydrophobicContact CD1-CB 4.07Å; F205-L210 HydrophobicContact CD1-CD1 3.86Å; F205-L210 HydrophobicContact CE1-CB 3.99Å; F205-L210 HydrophobicContact CE1-CD1 3.41Å; F205-L210 VanDerWaalsContact CE1-CD1 3.41Å; F205-L210 HydrophobicContact CE1-CG 4.25Å; F205-L210 HydrophobicContact CE2-CD1 4.47Å; F205-L210 HydrophobicContact CZ-CD1 3.77Å; L210-Y212 WeakPolarHBondContact CD1-O 3.43Å; L210-L217 HydrophobicContact CD2-CD2 4.03Å; L210-V220 HydrophobicContact CD1-CG1 4.21Å; L210-V220 HydrophobicContact CD2-CG1 3.81Å
211I88.1Confident88.4Confident18 Ų1828.4 Ų28.49%0.09215%0.147CC..EExtended strand (participates in β ladder)trans-103.4-50.1170.2-71171.1000110.3I175 I177 F182 I185 F204 F206 L328I175-I211 HydrophobicContact CG2-CD1 3.84Å; I175-I211 HydrophobicContact CG2-CG1 3.22Å; I177-I211 HydrophobicContact CD1-CD1 4.32Å; I177-I211 HydrophobicContact CD1-CG1 4.5Å; I177-I211 HydrophobicContact CD1-CG2 3.42Å; I177-I211 VanDerWaalsContact CD1-CG2 3.42Å; I177-I211 HydrophobicContact CG1-CG2 4.27Å; I177-I211 HydrophobicContact CG2-CD1 4.18Å; I177-I211 HydrophobicContact CG2-CG1 4.46Å; F182-I211 HydrophobicContact CD2-CG2 4.22Å; I185-I211 HydrophobicContact CD1-CD1 3.87Å; I185-I211 HydrophobicContact CD1-CG2 3.74Å; F204-I211 HydrophobicContact CD1-CB 4.11Å; F204-I211 HydrophobicContact CD1-CD1 3.82Å; F204-I211 HydrophobicContact CD1-CG1 4.41Å; F204-I211 HydrophobicContact CE1-CD1 3.81Å; F204-I211 PolarHBondContact O-N 3.43Å; F206-I211 HydrophobicContact CB-CD1 3.57Å; F206-I211 HydrophobicContact CB-CG1 4.46Å; I211-L328 HydrophobicContact CD1-CD1 4.14Å
212Y90.5Very high88.1Confident56 Ų5627.8 Ų27.822%0.2214%0.144CC..EExtended strand (participates in β ladder)trans-149.2146-172.6-179.4-92.5000110.5F182 H186 L189 A203 F204 L210 T214F182-Y212 AromaticContact CE2-CD2 3.97Å; F182-Y212 HydrophobicContact CE2-CD2 3.97Å; F182-Y212 AromaticContact CZ-CD2 3.64Å; F182-Y212 HydrophobicContact CZ-CD2 3.64Å; F182-Y212 HydrophobicContact CZ-CE2 4.2Å; H186-Y212 AromaticContact CD2-CE2 3.94Å; H186-Y212 AromaticContact CD2-CZ 4Å; L189-Y212 HydrophobicContact CD1-CD1 3.2Å; L189-Y212 HydrophobicContact CD1-CE1 3.63Å; L189-Y212 HydrophobicContact CD1-CG 4.17Å; A203-Y212 CarbonylContact C-O 3.53Å; A203-Y212 WeakPolarHBondContact CA-O 3.31Å; F204-Y212 PolarHBondContact N-O 3.38Å; F204-Y212 PolarHBondContact O-N 2.95Å; L210-Y212 WeakPolarHBondContact CD1-O 3.43Å; Y212-T214 HydrophobicContact CE1-CG2 3.75Å
213S91.5Very high87.7Confident22 Ų2227.8 Ų27.815%0.15414%0.144CC..EExtended strand (participates in β ladder)trans-150.3140.5172.7172.60000110.2S202 L215 V220S202-S213 WeakPolarHBondContact O-CA 3.21Å; S213-L215 VanDerWaalsContact C-N 3.34Å; S213-L215 WeakPolarHBondContact OG-CB 3.36Å; S213-L215 PolarHBondContact OG-N 3.29Å; S213-L215 PolarHBondContact OG-O 2.76Å; S213-L215 VanDerWaalsContact OG-O 3.13Å; S213-V220 WeakPolarHBondContact OG-CG2 2.98Å
214T90.6Very high87.4Confident45 Ų4528.1 Ų28.128%0.27615%0.145SC..SBendtrans-81.9-17.6168640000112.5H201 S202 Y212H201-T214 VanDerWaalsContact CA-OG1 3.27Å; H201-T214 WeakPolarHBondContact CA-OG1 3.42Å; H201-T214 WeakPolarHBondContact CB-OG1 3.36Å; S202-T214 PolarHBondContact N-OG1 2.72Å; S202-T214 PolarHBondContact O-N 3.1Å; S202-T214 PolarHBondContact O-OG1 2.99Å; Y212-T214 HydrophobicContact CE1-CG2 3.75Å
215L89.5Confident86.8Confident10 Ų1030.2 Ų30.25%0.05215%0.154CC..SBendtrans-78.6149174.4-67.6157.7000110.4H201 S213 Y219 V220 I223 P276 L298H201-L215 HydrophobicContact CB-CD1 4.2Å; H201-L215 HydrophobicContact CB-CD2 3.71Å; H201-L215 HydrophobicContact CB-CG 3.65Å; H201-L215 WeakPolarHBondContact CD2-CD2 3.47Å; S213-L215 VanDerWaalsContact C-N 3.34Å; S213-L215 WeakPolarHBondContact OG-CB 3.36Å; S213-L215 PolarHBondContact OG-N 3.29Å; S213-L215 PolarHBondContact OG-O 2.76Å; S213-L215 VanDerWaalsContact OG-O 3.13Å; L215-Y219 HydrophobicContact CB-CD1 4.24Å; L215-Y219 HydrophobicContact CD1-CD1 3.93Å; L215-Y219 HydrophobicContact CD1-CE1 3.94Å; L215-Y219 HydrophobicContact CD2-CD1 3.71Å; L215-Y219 HydrophobicContact CD2-CE1 3.79Å; L215-Y219 HydrophobicContact CG-CD1 4.17Å; L215-Y219 HydrophobicContact CG-CE1 4.41Å; L215-V220 HydrophobicContact CB-CG2 3.33Å; L215-V220 HydrophobicContact CD1-CG2 4.17Å; L215-V220 HydrophobicContact CG-CG2 4.37Å; L215-V220 WeakPolarHBondContact O-CG2 3.49Å; L215-I223 HydrophobicContact CD1-CD1 3.97Å; L215-P276 HydrophobicContact CD2-CG 3.43Å; L215-P276 VanDerWaalsContact CD2-CG 3.43Å; L215-L298 HydrophobicContact CD1-CD1 3.83Å; L215-L298 HydrophobicContact CD1-CG 4.5Å; L215-L298 HydrophobicContact CD2-CD1 3.95Å; L215-L298 HydrophobicContact CG-CD1 4.43Å
216D88.4Confident86.4Confident96 Ų9632.3 Ų32.351%0.51316%0.163SC..  trans-56138168.7-172.4-81.4000111.1T218 Y219 V220D216-T218 PolarHBondContact O-N 2.85Å; D216-T218 VanDerWaalsContact OD1-CB 3.23Å; D216-T218 WeakPolarHBondContact OD1-CB 3.41Å; D216-T218 WeakPolarHBondContact OD1-CG2 3.42Å; D216-T218 PolarHBondContact OD1-N 2.83Å; D216-T218 PolarHBondContact OD1-OG1 2.87Å; D216-Y219 WeakPolarHBondContact O-CA 3.27Å; D216-Y219 WeakPolarHBondContact O-CB 3.32Å; D216-Y219 PolarHBondContact O-N 3.34Å; D216-V220 WeakPolarHBondContact O-CG2 3.41Å; D216-V220 PolarHBondContact O-N 2.85Å
217L88.1Confident86.1Confident50 Ų5032.3 Ų32.326%0.26216%0.163SC..Hα-helixtrans-61.3-32.2-174.4-61.7175.3000112.4F174 L210 Y219 V220 R221 T400F174-L217 HydrophobicContact CE1-CD2 4.29Å; F174-L217 HydrophobicContact CZ-CD1 4.37Å; F174-L217 HydrophobicContact CZ-CD2 4.03Å; L210-L217 HydrophobicContact CD2-CD2 4.03Å; L217-Y219 PolarHBondContact O-N 3.29Å; L217-V220 PolarHBondContact O-N 2.8Å; L217-R221 PolarHBondContact O-N 2.86Å; L217-R221 VanDerWaalsContact O-N 3.12Å; L217-T400 HydrophobicContact CD1-CG2 4.49Å; L217-T400 WeakPolarHBondContact CD1-O 3.43Å
218T84.8Confident85.9Confident69 Ų6931 Ų3142%0.42316%0.157SC..Hα-helixtrans-61.9-33175.764.20000111.8D216 R221 H222D216-T218 PolarHBondContact O-N 2.85Å; D216-T218 VanDerWaalsContact OD1-CB 3.23Å; D216-T218 WeakPolarHBondContact OD1-CB 3.41Å; D216-T218 WeakPolarHBondContact OD1-CG2 3.42Å; D216-T218 PolarHBondContact OD1-N 2.83Å; D216-T218 PolarHBondContact OD1-OG1 2.87Å; T218-R221 VanDerWaalsContact CB-NH2 3.3Å; T218-R221 WeakPolarHBondContact O-CG 3.38Å; T218-R221 PolarHBondContact O-NE 3.1Å; T218-H222 PolarHBondContact O-NE2 3.3Å
219Y86.4Confident85.5Confident26 Ų2632.7 Ų32.710%0.10217%0.167CC..Hα-helixtrans-84.9-44.1178.5-178.8-84.8000111.6L126 L215 D216 L217 R221 H222 I223 I273 C274 P276 L298L126-Y219 HydrophobicContact CD1-CE2 3.7Å; L126-Y219 WeakPolarHBondContact CD1-OH 3.5Å; L215-Y219 HydrophobicContact CB-CD1 4.24Å; L215-Y219 HydrophobicContact CD1-CD1 3.93Å; L215-Y219 HydrophobicContact CD1-CE1 3.94Å; L215-Y219 HydrophobicContact CD2-CD1 3.71Å; L215-Y219 HydrophobicContact CD2-CE1 3.79Å; L215-Y219 HydrophobicContact CG-CD1 4.17Å; L215-Y219 HydrophobicContact CG-CE1 4.41Å; D216-Y219 WeakPolarHBondContact O-CA 3.27Å; D216-Y219 WeakPolarHBondContact O-CB 3.32Å; D216-Y219 PolarHBondContact O-N 3.34Å; L217-Y219 PolarHBondContact O-N 3.29Å; Y219-R221 PolarHBondContact O-N 3.11Å; Y219-R221 VanDerWaalsContact O-N 3.14Å; Y219-H222 PolarHBondContact O-N 3.05Å; Y219-H222 VanDerWaalsContact O-N 3.15Å; Y219-I223 HydrophobicContact CD1-CD1 4.26Å; Y219-I223 HydrophobicContact CE1-CD1 3.62Å; Y219-I223 HydrophobicContact CE1-CG1 4.34Å; Y219-I273 WeakPolarHBondContact OH-CG2 3.24Å; Y219-C274 WeakPolarHBondContact CE2-O 3.49Å; Y219-C274 VanDerWaalsContact CZ-O 3.27Å; Y219-C274 PolarHBondContact OH-O 3.22Å; Y219-P276 HydrophobicContact CD1-CG 4.15Å; Y219-P276 HydrophobicContact CD2-CB 4.44Å; Y219-P276 HydrophobicContact CD2-CG 4.03Å; Y219-P276 HydrophobicContact CE1-CG 4.28Å; Y219-P276 HydrophobicContact CE2-CG 4.17Å; Y219-P276 HydrophobicContact CG-CG 4.01Å; Y219-L298 HydrophobicContact CE1-CD1 4.07Å
220V88.2Confident84.6Confident1 Ų134.8 Ų34.81%0.00618%0.177CC..Hα-helixtrans-55.7-33.6178.5178.50000111.5I172 F205 L210 S213 L215 D216 L217 H222 I223 Y224I172-V220 HydrophobicContact CD1-CB 4.22Å; I172-V220 HydrophobicContact CD1-CG1 4.18Å; F205-V220 HydrophobicContact CZ-CG1 4.32Å; L210-V220 HydrophobicContact CD1-CG1 4.21Å; L210-V220 HydrophobicContact CD2-CG1 3.81Å; S213-V220 WeakPolarHBondContact OG-CG2 2.98Å; L215-V220 HydrophobicContact CB-CG2 3.33Å; L215-V220 HydrophobicContact CD1-CG2 4.17Å; L215-V220 HydrophobicContact CG-CG2 4.37Å; L215-V220 WeakPolarHBondContact O-CG2 3.49Å; D216-V220 WeakPolarHBondContact O-CG2 3.41Å; D216-V220 PolarHBondContact O-N 2.85Å; L217-V220 PolarHBondContact O-N 2.8Å; V220-H222 PolarHBondContact O-N 3.24Å; V220-I223 CarbonylContact O-C 3.55Å; V220-I223 PolarHBondContact O-N 2.83Å; V220-I223 VanDerWaalsContact O-N 3.09Å; V220-Y224 WeakPolarHBondContact O-CB 3.4Å; V220-Y224 PolarHBondContact O-N 2.88Å
221R88Confident83.4Confident52 Ų5235.7 Ų35.720%0.19618%0.182CC..Hα-helixtrans-53.3-41.6-179.395.9-179.892.9-174.110.1112N170 I172 L217 T218 Y219 Y224 H225N170-R221 WeakPolarHBondContact ND2-CD 3.37Å; N170-R221 WeakPolarHBondContact O-CD 3.44Å; I172-R221 HydrophobicContact CD1-CB 3.92Å; I172-R221 HydrophobicContact CG1-CB 3.91Å; L217-R221 PolarHBondContact O-N 2.86Å; L217-R221 VanDerWaalsContact O-N 3.12Å; T218-R221 VanDerWaalsContact CB-NH2 3.3Å; T218-R221 WeakPolarHBondContact O-CG 3.38Å; T218-R221 PolarHBondContact O-NE 3.1Å; Y219-R221 PolarHBondContact O-N 3.11Å; Y219-R221 VanDerWaalsContact O-N 3.14Å; R221-Y224 WeakPolarHBondContact O-CB 3.25Å; R221-Y224 PolarHBondContact O-N 2.97Å; R221-H225 PolarHBondContact O-CD2 2.71Å; R221-H225 PolarHBondContact O-N 3.44Å
222H85.7Confident82Confident24 Ų2436.3 Ų36.311%0.11118%0.184CC..Hα-helixtrans-68.6-40.7-177.8-52.2-60.4000110.8E122 L126 T218 Y219 V220 Y226E122-H222 IonicContact OE2-CE1 3.26Å; E122-H222 PolarHBondContact OE2-CE1 3.3Å; E122-H222 IonicContact OE2-ND1 2.69Å; L126-H222 HydrophobicContact CD2-CB 3.79Å; T218-H222 PolarHBondContact O-NE2 3.3Å; Y219-H222 PolarHBondContact O-N 3.05Å; Y219-H222 VanDerWaalsContact O-N 3.15Å; V220-H222 PolarHBondContact O-N 3.24Å; H222-Y226 WeakPolarHBondContact O-CB 3.47Å; H222-Y226 PolarHBondContact O-N 3.08Å
223I86.3Confident80.2Confident2 Ų237.6 Ų37.61%0.0119%0.193CC..Hα-helixtrans-63.7-48173.1-64.4179.3000109.7L126 L215 Y219 V220 H225 Y226 L227 L298L126-I223 HydrophobicContact CD2-CG1 4.39Å; L215-I223 HydrophobicContact CD1-CD1 3.97Å; Y219-I223 HydrophobicContact CD1-CD1 4.26Å; Y219-I223 HydrophobicContact CE1-CD1 3.62Å; Y219-I223 HydrophobicContact CE1-CG1 4.34Å; V220-I223 CarbonylContact O-C 3.55Å; V220-I223 PolarHBondContact O-N 2.83Å; V220-I223 VanDerWaalsContact O-N 3.09Å; I223-H225 VanDerWaalsContact C-N 3.33Å; I223-H225 PolarHBondContact O-N 2.85Å; I223-Y226 CarbonylContact O-C 3.11Å; I223-Y226 WeakPolarHBondContact O-CB 3.32Å; I223-Y226 PolarHBondContact O-N 2.83Å; I223-Y226 VanDerWaalsContact O-N 3.11Å; I223-L227 HydrophobicContact CG2-CD1 3.79Å; I223-L227 HydrophobicContact CG2-CG 3.93Å; I223-L227 VanDerWaalsContact O-CG 3.24Å; I223-L227 WeakPolarHBondContact O-CG 3.38Å; I223-L227 PolarHBondContact O-N 2.75Å; I223-L298 HydrophobicContact CD1-CD1 4.3Å; I223-L298 HydrophobicContact CD1-CD2 4.37Å
224Y86.1Confident78Confident9 Ų942.3 Ų42.34%0.03521%0.213CC..Hα-helixtrans-54.3-47.2178.8170.3-96.2000112I172 Q173 F205 G208 V220 R221 L227 N228I172-Y224 HydrophobicContact CG1-CD1 4.27Å; I172-Y224 HydrophobicContact CG1-CG 4.33Å; I172-Y224 HydrophobicContact CG2-CD2 4.01Å; I172-Y224 HydrophobicContact CG2-CE2 4.06Å; I172-Y224 HydrophobicContact CG2-CG 4.22Å; Q173-Y224 WeakPolarHBondContact CB-OH 3.49Å; Q173-Y224 PolarHBondContact N-OH 3.12Å; F205-Y224 HydrophobicContact CD1-CD2 4.12Å; F205-Y224 AromaticContact CE1-CD2 3.76Å; F205-Y224 HydrophobicContact CE1-CD2 3.76Å; G208-Y224 WeakPolarHBondContact O-CE2 3.26Å; V220-Y224 WeakPolarHBondContact O-CB 3.4Å; V220-Y224 PolarHBondContact O-N 2.88Å; R221-Y224 WeakPolarHBondContact O-CB 3.25Å; R221-Y224 PolarHBondContact O-N 2.97Å; Y224-L227 PolarHBondContact O-N 3.39Å; Y224-N228 VanDerWaalsContact CD2-ND2 3.31Å; Y224-N228 WeakPolarHBondContact CD2-ND2 3.27Å; Y224-N228 WeakPolarHBondContact CE1-ND2 3.4Å; Y224-N228 WeakPolarHBondContact CE2-ND2 3.2Å; Y224-N228 WeakPolarHBondContact O-CB 3.48Å; Y224-N228 PolarHBondContact O-N 3.12Å; Y224-N228 PolarHBondContact O-ND2 2.8Å
225H81Confident75.8Confident44 Ų4447 Ų4720%0.20423%0.231CC..Hα-helixtrans-68.7-36.9177.8-71.2-59.9000112.2N170 G171 R221 I223 S229N170-H225 PolarHBondContact OD1-CD2 3.01Å; N170-H225 PolarHBondContact OD1-NE2 2.95Å; N170-H225 VanDerWaalsContact OD1-NE2 3.1Å; G171-H225 PolarHBondContact O-CE1 2.88Å; G171-H225 VanDerWaalsContact O-CE1 3.29Å; G171-H225 PolarHBondContact O-NE2 2.95Å; R221-H225 PolarHBondContact O-CD2 2.71Å; R221-H225 PolarHBondContact O-N 3.44Å; I223-H225 VanDerWaalsContact C-N 3.33Å; I223-H225 PolarHBondContact O-N 2.85Å; H225-S229 WeakPolarHBondContact O-CB 3.32Å; H225-S229 PolarHBondContact O-N 2.98Å; H225-S229 PolarHBondContact O-OG 3.23Å
226Y81.2Confident73.8Confident45 Ų4548.4 Ų48.418%0.17624%0.242CC..Hα-helixtrans-61.4-48.3172.7172.7-99.2000111.8F127 H222 I223 N228 S229 F230 L285F127-Y226 HydrophobicContact CE1-CE2 4.49Å; F127-Y226 AromaticContact CE2-CD2 3.71Å; F127-Y226 HydrophobicContact CE2-CD2 3.71Å; F127-Y226 AromaticContact CE2-CE2 3.96Å; F127-Y226 HydrophobicContact CE2-CE2 3.96Å; F127-Y226 HydrophobicContact CE2-CG 4.13Å; F127-Y226 AromaticContact CZ-CD1 4Å; F127-Y226 HydrophobicContact CZ-CD1 4Å; F127-Y226 AromaticContact CZ-CD2 3.64Å; F127-Y226 HydrophobicContact CZ-CD2 3.64Å; F127-Y226 AromaticContact CZ-CE1 3.97Å; F127-Y226 HydrophobicContact CZ-CE1 3.97Å; F127-Y226 AromaticContact CZ-CE2 3.62Å; F127-Y226 HydrophobicContact CZ-CE2 3.62Å; F127-Y226 AromaticContact CZ-CG 3.84Å; F127-Y226 HydrophobicContact CZ-CG 3.84Å; F127-Y226 AromaticContact CZ-CZ 3.78Å; H222-Y226 WeakPolarHBondContact O-CB 3.47Å; H222-Y226 PolarHBondContact O-N 3.08Å; I223-Y226 CarbonylContact O-C 3.11Å; I223-Y226 WeakPolarHBondContact O-CB 3.32Å; I223-Y226 PolarHBondContact O-N 2.83Å; I223-Y226 VanDerWaalsContact O-N 3.11Å; Y226-N228 PolarHBondContact O-N 3.34Å; Y226-S229 PolarHBondContact O-N 3.39Å; Y226-F230 AromaticContact CD2-CD2 3.41Å; Y226-F230 HydrophobicContact CD2-CD2 3.41Å; Y226-F230 VanDerWaalsContact CD2-CD2 3.41Å; Y226-F230 AromaticContact CD2-CE2 3.82Å; Y226-F230 HydrophobicContact CD2-CE2 3.82Å; Y226-F230 HydrophobicContact CD2-CG 4.37Å; Y226-F230 HydrophobicContact CE2-CB 4.49Å; Y226-F230 AromaticContact CE2-CD2 3.63Å; Y226-F230 HydrophobicContact CE2-CD2 3.63Å; Y226-F230 HydrophobicContact CE2-CE2 4.17Å; Y226-F230 HydrophobicContact CE2-CG 4.21Å; Y226-F230 HydrophobicContact CG-CD2 4.2Å; Y226-F230 WeakPolarHBondContact O-CB 3.38Å; Y226-F230 WeakPolarHBondContact O-CD2 3.2Å; Y226-F230 PolarHBondContact O-N 3.01Å; Y226-L285 HydrophobicContact CD1-CD2 4.34Å; Y226-L285 HydrophobicContact CE1-CD2 3.97Å
227L80.7Confident71.6Confident0 Ų048.3 Ų48.30%024%0.241CC..Iπ-helixtrans-62.4-45.6178.8-62178.6000111.4F205 I223 Y224 L231 F232 T287 C296F205-L227 HydrophobicContact CD2-CD1 4Å; F205-L227 HydrophobicContact CE2-CD1 3.54Å; F205-L227 HydrophobicContact CZ-CD1 3.88Å; I223-L227 HydrophobicContact CG2-CD1 3.79Å; I223-L227 HydrophobicContact CG2-CG 3.93Å; I223-L227 VanDerWaalsContact O-CG 3.24Å; I223-L227 WeakPolarHBondContact O-CG 3.38Å; I223-L227 PolarHBondContact O-N 2.75Å; Y224-L227 PolarHBondContact O-N 3.39Å; L227-L231 HydrophobicContact CD2-CD1 3.44Å; L227-L231 VanDerWaalsContact CD2-CD1 3.44Å; L227-L231 HydrophobicContact CD2-CG 4.41Å; L227-L231 WeakPolarHBondContact O-CA 3.31Å; L227-L231 WeakPolarHBondContact O-CB 3.13Å; L227-L231 PolarHBondContact O-N 3.29Å; L227-F232 HydrophobicContact CB-CE1 4.28Å; L227-F232 HydrophobicContact CB-CE2 3.91Å; L227-F232 HydrophobicContact CB-CZ 3.73Å; L227-F232 HydrophobicContact CD1-CZ 4.31Å; L227-F232 PolarHBondContact O-N 2.99Å; L227-T287 HydrophobicContact CD2-CG2 3.61Å; L227-C296 HydrophobicContact CD1-CB 4.47Å
228N76.8Confident69.7Low31 Ų3151.9 Ų51.917%0.16626%0.26CS..Iπ-helixtrans-65.2-38.1178.1-82.3-67.6000112.9Y224 Y226 F232Y224-N228 VanDerWaalsContact CD2-ND2 3.31Å; Y224-N228 WeakPolarHBondContact CD2-ND2 3.27Å; Y224-N228 WeakPolarHBondContact CE1-ND2 3.4Å; Y224-N228 WeakPolarHBondContact CE2-ND2 3.2Å; Y224-N228 WeakPolarHBondContact O-CB 3.48Å; Y224-N228 PolarHBondContact O-N 3.12Å; Y224-N228 PolarHBondContact O-ND2 2.8Å; Y226-N228 PolarHBondContact O-N 3.34Å; N228-F232 HydrophobicContact CB-CD2 4.24Å; N228-F232 WeakPolarHBondContact OD1-CD2 3.41Å
229S70.5Confident67.6Low53 Ų5353.1 Ų53.137%0.37127%0.267SS..Iπ-helixtrans-80.4-28.3-176.2-55.70000113.4H225 Y226 I233H225-S229 WeakPolarHBondContact O-CB 3.32Å; H225-S229 PolarHBondContact O-N 2.98Å; H225-S229 PolarHBondContact O-OG 3.23Å; Y226-S229 PolarHBondContact O-N 3.39Å; S229-I233 WeakPolarHBondContact O-CD1 3.49Å
230F66.5Low65.5Low77 Ų7756 Ų5634%0.33828%0.281SS..Iπ-helixtrans-117.7-34.3-172.9-64.3-75.7000114.3Y154 T157 Y226Y154-F230 HydrophobicContact CD2-CZ 4.22Å; Y154-F230 HydrophobicContact CE2-CE2 4.42Å; Y154-F230 HydrophobicContact CE2-CZ 4.44Å; T157-F230 HydrophobicContact CG2-CE1 3.89Å; T157-F230 HydrophobicContact CG2-CZ 4.03Å; Y226-F230 AromaticContact CD2-CD2 3.41Å; Y226-F230 HydrophobicContact CD2-CD2 3.41Å; Y226-F230 VanDerWaalsContact CD2-CD2 3.41Å; Y226-F230 AromaticContact CD2-CE2 3.82Å; Y226-F230 HydrophobicContact CD2-CE2 3.82Å; Y226-F230 HydrophobicContact CD2-CG 4.37Å; Y226-F230 HydrophobicContact CE2-CB 4.49Å; Y226-F230 AromaticContact CE2-CD2 3.63Å; Y226-F230 HydrophobicContact CE2-CD2 3.63Å; Y226-F230 HydrophobicContact CE2-CE2 4.17Å; Y226-F230 HydrophobicContact CE2-CG 4.21Å; Y226-F230 HydrophobicContact CG-CD2 4.2Å; Y226-F230 WeakPolarHBondContact O-CB 3.38Å; Y226-F230 WeakPolarHBondContact O-CD2 3.2Å; Y226-F230 PolarHBondContact O-N 3.01Å
231L63.1Low63.4Low20 Ų2059.8 Ų59.811%0.10531%0.313CS..Iπ-helixtrans-105.7-32.8-169.3-60.5-175.4000113.7L227 I233 L255 V256 T287L227-L231 HydrophobicContact CD2-CD1 3.44Å; L227-L231 VanDerWaalsContact CD2-CD1 3.44Å; L227-L231 HydrophobicContact CD2-CG 4.41Å; L227-L231 WeakPolarHBondContact O-CA 3.31Å; L227-L231 WeakPolarHBondContact O-CB 3.13Å; L227-L231 PolarHBondContact O-N 3.29Å; L231-I233 VanDerWaalsContact C-N 3.32Å; L231-L255 HydrophobicContact CD1-CB 4.49Å; L231-V256 HydrophobicContact CD1-CG2 3.66Å; L231-V256 HydrophobicContact CD2-CG2 4.19Å; L231-T287 HydrophobicContact CD1-CG2 4.31Å
232F59.3Low61.2Low31 Ų3163.4 Ų63.414%0.13634%0.341CS..SBendtrans-83-10.6179.7-57-25.1000113.7L227 N228 E234 V294L227-F232 HydrophobicContact CB-CE1 4.28Å; L227-F232 HydrophobicContact CB-CE2 3.91Å; L227-F232 HydrophobicContact CB-CZ 3.73Å; L227-F232 HydrophobicContact CD1-CZ 4.31Å; L227-F232 PolarHBondContact O-N 2.99Å; N228-F232 HydrophobicContact CB-CD2 4.24Å; N228-F232 WeakPolarHBondContact OD1-CD2 3.41Å; F232-E234 VanDerWaalsContact C-N 3.26Å; F232-V294 HydrophobicContact CD1-CG2 4.46Å; F232-V294 HydrophobicContact CE1-CB 4.07Å; F232-V294 HydrophobicContact CE1-CG1 4.02Å; F232-V294 HydrophobicContact CE1-CG2 3.68Å; F232-V294 HydrophobicContact CZ-CB 4.33Å; F232-V294 HydrophobicContact CZ-CG1 4.37Å; F232-V294 HydrophobicContact CZ-CG2 4.33Å
233I52.1Low58.9Low82 Ų8266.8 Ų66.842%0.42136%0.363SS..SBendtrans-66-32.9170-48.6-166.4000110.8S229 L231 Q235 G412S229-I233 WeakPolarHBondContact O-CD1 3.49Å; L231-I233 VanDerWaalsContact C-N 3.32Å; I233-Q235 PolarHBondContact O-N 3.32Å; I233-G412 WeakPolarHBondContact CA-O 3.41Å; I233-G412 VanDerWaalsContact CG1-O 3.29Å; I233-G412 WeakPolarHBondContact CG1-O 3.44Å; I233-G412 PolarHBondContact N-O 2.97Å
234E45.8Very low56.8Low122 Ų12272.6 Ų72.657%0.5739%0.392SS*.SBendtrans-71.383168-67.4-172.8173.100108.5F232F232-E234 VanDerWaalsContact C-N 3.26Å
235Q44.1Very low54.8Low142 Ų14282.2 Ų82.266%0.66443%0.434SS*.  trans-52.5129.9168.4-72.6-166.3-16.400107.6I233 D237I233-Q235 PolarHBondContact O-N 3.32Å; Q235-D237 PolarHBondContact O-N 2.86Å
236P47.2Very low53.2Low41 Ų4183.6 Ų83.627%0.26645%0.446SS..  trans-57.4114.6168.123.1-29.2000106.2L238 R253P236-L238 PolarHBondContact O-N 2.95Å; P236-R253 VanDerWaalsContact CB-NH2 3.35Å
237D42.4Very low51.8Low94 Ų9491.5 Ų91.550%0.50348%0.481SS..  trans-53.189.3162-87.8-34.2000106.8Q235 T239 H240Q235-D237 PolarHBondContact O-N 2.86Å; D237-T239 PolarHBondContact O-N 3.46Å; D237-T239 VanDerWaalsContact O-N 3.11Å; D237-H240 HydrophobicContact CB-CB 4.38Å; D237-H240 WeakPolarHBondContact CB-CD2 3.44Å; D237-H240 WeakPolarHBondContact O-CB 3.28Å; D237-H240 PolarHBondContact O-N 3.1Å; D237-H240 IonicContact OD2-CD2 3.48Å; D237-H240 IonicContact OD2-NE2 3.84Å
238L46.7Very low50.8Low124 Ų12494.5 Ų94.565%0.64950%0.502SS*.G310 helixtrans-63.2-12.5173-79.3152.9000109.9P236 H240 A241P236-L238 PolarHBondContact O-N 2.95Å; L238-H240 VanDerWaalsContact C-N 3.3Å; L238-A241 WeakPolarHBondContact O-CB 3.41Å; L238-A241 PolarHBondContact O-N 3.33Å
239T41.2Very low50.6Low95 Ų95103.1 Ų103.158%0.58354%0.538SS*.G310 helixtrans-69.6-22.7168.354.70000113D237 A241 T242D237-T239 PolarHBondContact O-N 3.46Å; D237-T239 VanDerWaalsContact O-N 3.11Å; T239-A241 PolarHBondContact O-N 3.43Å; T239-T242 PolarHBondContact O-N 3.25Å; T239-T242 PolarHBondContact O-OG1 3.27Å
240H41.8Very low51.4Low86 Ų86101.6 Ų101.640%0.39853%0.525SS..G310 helixtrans-74.5-7.8175.5-80.1-50.7000114.2D237 L238 T242 T243 M244D237-H240 HydrophobicContact CB-CB 4.38Å; D237-H240 WeakPolarHBondContact CB-CD2 3.44Å; D237-H240 WeakPolarHBondContact O-CB 3.28Å; D237-H240 PolarHBondContact O-N 3.1Å; D237-H240 IonicContact OD2-CD2 3.48Å; D237-H240 IonicContact OD2-NE2 3.84Å; L238-H240 VanDerWaalsContact C-N 3.3Å; H240-T242 PolarHBondContact O-N 3.39Å; H240-T242 VanDerWaalsContact O-N 3.07Å; H240-T243 PolarHBondContact ND1-OG1 3.05Å; H240-T243 PolarHBondContact O-N 3.35Å; H240-T243 VanDerWaalsContact O-N 3.13Å; H240-M244 PolarHBondContact O-N 3.45Å
241A44.8Very low52.3Low81 Ų81102.3 Ų102.367%0.66953%0.532SS*.G310 helixtrans-54.6-25.1164.900000111.9L238 T239L238-A241 WeakPolarHBondContact O-CB 3.41Å; L238-A241 PolarHBondContact O-N 3.33Å; T239-A241 PolarHBondContact O-N 3.43Å
242T41.7Very low53.7Low128 Ų128101.9 Ų101.979%0.78553%0.532SS*.G310 helixtrans-92.7-16.2179.7-1.20000115.2T239 H240T239-T242 PolarHBondContact O-N 3.25Å; T239-T242 PolarHBondContact O-OG1 3.27Å; H240-T242 PolarHBondContact O-N 3.39Å; H240-T242 VanDerWaalsContact O-N 3.07Å
243T38.6Very low55.2Low95 Ų95105.1 Ų105.158%0.58354%0.543SS*.THydrogen-bonded Turntrans-118.4-4.2-172.941.20000115.2H240 K245H240-T243 PolarHBondContact ND1-OG1 3.05Å; H240-T243 PolarHBondContact O-N 3.35Å; H240-T243 VanDerWaalsContact O-N 3.13Å; T243-K245 PolarHBondContact O-N 3.22Å
244M40.4Very low57Low125 Ų125101.5 Ų101.562%0.61653%0.525SS*.  trans-72.693.4168.6-69.2-137.491.400110.5H240 T246H240-M244 PolarHBondContact O-N 3.45Å; M244-T246 WeakPolarHBondContact CB-OG1 3.41Å; M244-T246 HydrophobicContact CE-CG2 3.9Å; M244-T246 WeakPolarHBondContact CE-OG1 3.26Å; M244-T246 PolarHBondContact O-N 2.86Å
245K44.3Very low59Low210 Ų21096.3 Ų96.391%0.91350%0.501SS*.  trans-62.86.9160.8-82.4-178.3174.8176.60113.1T243T243-K245 PolarHBondContact O-N 3.22Å
246T48.3Very low61.2Low74 Ų7490.3 Ų90.345%0.45447%0.474SS..  trans-85122.6-178.853.60000109.4M244 S248M244-T246 WeakPolarHBondContact CB-OG1 3.41Å; M244-T246 HydrophobicContact CE-CG2 3.9Å; M244-T246 WeakPolarHBondContact CE-OG1 3.26Å; M244-T246 PolarHBondContact O-N 2.86Å; T246-S248 PolarHBondContact O-N 3.37Å
247K52.7Low63.2Low211 Ų21189.2 Ų89.292%0.91747%0.47SS*.  trans-62.916-176.7-60.9172.8176.9174.20115K249K247-K249 PolarHBondContact O-N 2.64Å
248S58.2Low65.4Low62 Ų6285 Ų8543%0.43445%0.448SS..  trans-69.9127-177.6540000109.8T246 H250T246-S248 PolarHBondContact O-N 3.37Å; S248-H250 PolarHBondContact O-N 3.04Å; S248-H250 VanDerWaalsContact O-N 3.16Å; S248-H250 PolarHBondContact OG-O 3.14Å
249K72.2Confident67.2Low213 Ų21386 Ų8693%0.92645%0.447SS*.SBendtrans-73.32.7179.4-67-177.1178.3-1800113.4K247K247-K249 PolarHBondContact O-N 2.64Å
250H87.3Confident69.3Low21 Ų2185.4 Ų85.410%0.09744%0.44CS..SBendtrans-142.7167.6-176.162.276.5000111.7S248 G252 Y288 D314 G318 P319S248-H250 PolarHBondContact O-N 3.04Å; S248-H250 VanDerWaalsContact O-N 3.16Å; S248-H250 PolarHBondContact OG-O 3.14Å; H250-G252 PolarHBondContact ND1-N 2.68Å; H250-Y288 PolarHBondContact CE1-OH 2.91Å; H250-D314 IonicContact CE1-OD1 3.31Å; H250-D314 PolarHBondContact CE1-OD1 2.95Å; H250-D314 VanDerWaalsContact CE1-OD1 3.31Å; H250-D314 IonicContact CE1-OD2 3.3Å; H250-D314 PolarHBondContact CE1-OD2 3.3Å; H250-D314 VanDerWaalsContact CE1-OD2 3.3Å; H250-D314 IonicContact NE2-OD2 3.32Å; H250-D314 PolarHBondContact NE2-OD2 2.89Å; H250-G318 VanDerWaalsContact CG-C 3.44Å; H250-P319 HydrophobicContact CB-CB 4.46Å; H250-P319 HydrophobicContact CB-CG 4.34Å; H250-P319 VanDerWaalsContact CD2-CD 3.44Å; H250-P319 WeakPolarHBondContact CD2-CD 3.43Å
251L87.3Confident71.3Confident92 Ų9283.5 Ų83.548%0.48243%0.433SS..  trans-102.79.8-176.2-61.5173.7000113.4L291 T322L251-L291 HydrophobicContact CB-CD2 4.48Å; L251-L291 HydrophobicContact CD1-CD2 3.57Å; L251-L291 HydrophobicContact CD1-CG 4.18Å; L251-T322 HydrophobicContact CB-CG2 4.07Å; L251-T322 HydrophobicContact CD1-CG2 4.3Å; L251-T322 HydrophobicContact CG-CG2 4.28Å; L251-T322 PolarHBondContact N-OG1 2.88Å
252G90.6Very high73Confident11 Ų1184.1 Ų84.111%0.11343%0.432CS..EExtended strand (participates in β ladder)trans-70143.6173.700000113.8H250 Y288 Q289H250-G252 PolarHBondContact ND1-N 2.68Å; G252-Y288 VanDerWaalsContact C-CZ 3.48Å; G252-Y288 VanDerWaalsContact CA-OH 3.22Å; G252-Y288 WeakPolarHBondContact CA-OH 3.42Å; G252-Y288 PolarHBondContact O-OH 2.67Å; G252-Q289 CarbonylContact C-O 3.51Å; G252-Q289 VanDerWaalsContact CA-O 3.27Å; G252-Q289 WeakPolarHBondContact CA-O 3.47Å
253R91.1Very high74.8Confident98 Ų9881.3 Ų81.337%0.3741%0.412SS..EExtended strand (participates in β ladder)trans-156.3156.3178.665.5-173.2-174.917410.1112P236 Y288 Q289P236-R253 VanDerWaalsContact CB-NH2 3.35Å; R253-Y288 CarbonylContact O-C 3.24Å; R253-Y288 WeakPolarHBondContact O-CA 3.42Å; R253-Y288 WeakPolarHBondContact O-CD2 3.15Å; R253-Q289 PolarHBondContact N-O 2.88Å; R253-Q289 VanDerWaalsContact NE-OE1 3.14Å; R253-Q289 PolarHBondContact O-N 3.42Å
254Y91.4Very high76.6Confident7 Ų782.7 Ų82.73%0.02742%0.415CS..EExtended strand (participates in β ladder)trans-80126.2172.6-67.3-83.1000112.2P258 K259 L261 I286 Y288 F310 F313 D314Y254-P258 WeakPolarHBondContact CB-O 3.25Å; Y254-P258 HydrophobicContact CD2-CG 4.04Å; Y254-P258 HydrophobicContact CE2-CG 4.31Å; Y254-P258 HydrophobicContact CG-CG 4.5Å; Y254-K259 PolarHBondContact O-NZ 3.22Å; Y254-L261 HydrophobicContact CD2-CD2 4.34Å; Y254-L261 HydrophobicContact CE2-CD1 4.31Å; Y254-L261 HydrophobicContact CE2-CD2 3.94Å; Y254-I286 HydrophobicContact CD1-CG2 3.75Å; Y254-I286 HydrophobicContact CE1-CG2 3.7Å; Y254-Y288 AromaticContact CD1-CD2 3.62Å; Y254-Y288 HydrophobicContact CD1-CD2 3.62Å; Y254-Y288 HydrophobicContact CD1-CE2 4.48Å; Y254-Y288 HydrophobicContact CD1-CG 4.49Å; Y254-Y288 AromaticContact CD2-CD2 3.95Å; Y254-Y288 HydrophobicContact CD2-CD2 3.95Å; Y254-Y288 HydrophobicContact CD2-CE2 4.03Å; Y254-Y288 AromaticContact CE1-CD2 3.54Å; Y254-Y288 HydrophobicContact CE1-CD2 3.54Å; Y254-Y288 HydrophobicContact CE1-CE2 4.29Å; Y254-Y288 HydrophobicContact CE1-CG 4.42Å; Y254-Y288 AromaticContact CE2-CD2 3.87Å; Y254-Y288 HydrophobicContact CE2-CD2 3.87Å; Y254-Y288 AromaticContact CE2-CE2 3.8Å; Y254-Y288 HydrophobicContact CE2-CE2 3.8Å; Y254-Y288 AromaticContact CG-CD2 3.81Å; Y254-Y288 HydrophobicContact CG-CD2 3.81Å; Y254-Y288 HydrophobicContact CG-CE2 4.35Å; Y254-Y288 AromaticContact CZ-CD2 3.67Å; Y254-Y288 AromaticContact CZ-CE2 3.95Å; Y254-F310 HydrophobicContact CD1-CD1 4.19Å; Y254-F310 AromaticContact CE1-CD1 3.65Å; Y254-F310 HydrophobicContact CE1-CD1 3.65Å; Y254-F310 HydrophobicContact CE1-CE1 4.26Å; Y254-F310 HydrophobicContact CE2-CB 4.15Å; Y254-F310 HydrophobicContact CE2-CD1 4.19Å; Y254-F310 AromaticContact CZ-CD1 3.64Å; Y254-F310 WeakPolarHBondContact OH-CA 3.36Å; Y254-F310 PolarHBondContact OH-O 3.39Å; Y254-F313 HydrophobicContact CE1-CD1 4.17Å; Y254-F313 HydrophobicContact CE1-CE1 4.49Å; Y254-F313 AromaticContact CZ-CD1 3.92Å; Y254-F313 WeakPolarHBondContact OH-CB 3.43Å; Y254-F313 WeakPolarHBondContact OH-CD1 3.46Å; Y254-D314 HydrophobicContact CE2-CB 4.35Å
255L87.9Confident78.2Confident13 Ų1381.7 Ų81.77%0.06842%0.421CS..EExtended strand (participates in β ladder)trans-80.5-51.4165.9-72.6179.9000109.6L231 K259 T287 Q289 V294L231-L255 HydrophobicContact CD1-CB 4.49Å; L255-K259 PolarHBondContact O-NZ 2.93Å; L255-T287 VanDerWaalsContact CB-OG1 3.26Å; L255-T287 WeakPolarHBondContact CB-OG1 3.36Å; L255-T287 PolarHBondContact N-O 3.24Å; L255-Q289 HydrophobicContact CD1-CB 3.73Å; L255-Q289 HydrophobicContact CD1-CG 4.38Å; L255-Q289 HydrophobicContact CD2-CB 4.31Å; L255-Q289 HydrophobicContact CG-CB 3.7Å; L255-V294 HydrophobicContact CD1-CG1 4.2Å; L255-V294 HydrophobicContact CD1-CG2 4.22Å
256V89Confident79.7Confident16 Ų1675.9 Ų75.910%0.09740%0.397CS..EExtended strand (participates in β ladder)trans-114.8105.6170.6178.30000107.8L231 P271 L285 I286 T287L231-V256 HydrophobicContact CD1-CG2 3.66Å; L231-V256 HydrophobicContact CD2-CG2 4.19Å; V256-P271 HydrophobicContact CG1-CG 3.85Å; V256-L285 VanDerWaalsContact CG1-O 3.31Å; V256-L285 WeakPolarHBondContact CG1-O 3.43Å; V256-I286 WeakPolarHBondContact O-CG2 3.29Å; V256-T287 WeakPolarHBondContact CB-OG1 3.45Å; V256-T287 HydrophobicContact CG2-CG2 4.46Å; V256-T287 WeakPolarHBondContact CG2-OG1 3.39Å; V256-T287 PolarHBondContact N-O 3.19Å; V256-T287 PolarHBondContact N-OG1 2.89Å; V256-T287 PolarHBondContact O-N 2.91Å; V256-T287 VanDerWaalsContact O-N 3.16Å
257G90.2Very high80.9Confident18 Ų1880.1 Ų80.119%0.18641%0.411CS..SBendtrans149.9-169.3-17200000111.1
258P88.8Confident82.2Confident5 Ų571.1 Ų71.13%0.03237%0.373CS..  trans-66.7133.9179.422.8-26000111.6Y254 L261 I268 M307 F310Y254-P258 WeakPolarHBondContact CB-O 3.25Å; Y254-P258 HydrophobicContact CD2-CG 4.04Å; Y254-P258 HydrophobicContact CE2-CG 4.31Å; Y254-P258 HydrophobicContact CG-CG 4.5Å; P258-L261 HydrophobicContact CB-CD2 4.23Å; P258-L261 HydrophobicContact CG-CD2 3.65Å; P258-I268 HydrophobicContact CB-CD1 3.56Å; P258-I268 HydrophobicContact CB-CG1 3.91Å; P258-I268 HydrophobicContact CG-CD1 3.53Å; P258-I268 HydrophobicContact CG-CG1 4.34Å; P258-M307 HydrophobicContact CB-CE 4.26Å; P258-M307 HydrophobicContact CB-SD 4.2Å; P258-M307 HydrophobicContact CG-SD 4.12Å; P258-F310 VanDerWaalsContact CD-CE1 3.46Å; P258-F310 HydrophobicContact CG-CB 3.73Å; P258-F310 HydrophobicContact CG-CD1 3.7Å; P258-F310 HydrophobicContact CG-CD2 4.2Å; P258-F310 HydrophobicContact CG-CE1 4.32Å; P258-F310 HydrophobicContact CG-CG 3.63Å
259K84.6Confident83.4Confident145 Ų14577.8 Ų77.863%0.6339%0.394SS*.SBendtrans-82.7-29.2173.7-59.9-62.9175.9-176.10112.1Y254 L255Y254-K259 PolarHBondContact O-NZ 3.22Å; L255-K259 PolarHBondContact O-NZ 2.93Å
260D83.5Confident84.2Confident83 Ų8367.9 Ų67.944%0.44435%0.352SS..  trans-121.1123.4174.9-170-7.6000109.2S262D260-S262 WeakPolarHBondContact OD1-CB 3.37Å; D260-S262 PolarHBondContact OD1-N 3.43Å; D260-S262 PolarHBondContact OD1-OG 2.93Å; D260-S262 PolarHBondContact OD2-OG 3.22Å; D260-S262 VanDerWaalsContact OD2-OG 3.13Å
261L83.9Confident84.3Confident46 Ų4668.6 Ų68.624%0.24136%0.358CS..SBendtrans-92-4.2179.3-67.8173000112.7Y254 P258 M307 F310 V311 D314Y254-L261 HydrophobicContact CD2-CD2 4.34Å; Y254-L261 HydrophobicContact CE2-CD1 4.31Å; Y254-L261 HydrophobicContact CE2-CD2 3.94Å; P258-L261 HydrophobicContact CB-CD2 4.23Å; P258-L261 HydrophobicContact CG-CD2 3.65Å; L261-M307 HydrophobicContact CD2-SD 4.45Å; L261-F310 HydrophobicContact CD2-CB 3.88Å; L261-V311 HydrophobicContact CB-CG2 4.44Å; L261-V311 HydrophobicContact CD2-CG2 4.39Å; L261-D314 HydrophobicContact CD1-CB 3.54Å
262S80.7Confident84.6Confident94 Ų9467.4 Ų67.466%0.65735%0.352SS*.SBendtrans-82.9-26.1-179.668.10000113.3D260 L264D260-S262 WeakPolarHBondContact OD1-CB 3.37Å; D260-S262 PolarHBondContact OD1-N 3.43Å; D260-S262 PolarHBondContact OD1-OG 2.93Å; D260-S262 PolarHBondContact OD2-OG 3.22Å; D260-S262 VanDerWaalsContact OD2-OG 3.13Å; S262-L264 PolarHBondContact O-N 3.46Å
263D80.2Confident84.7Confident69 Ų6966.9 Ų66.937%0.36935%0.347SS..  trans-86.590.5177-174.21000111.5S265 Q266 M307D263-S265 PolarHBondContact O-N 2.83Å; D263-S265 WeakPolarHBondContact OD1-CB 3.26Å; D263-S265 PolarHBondContact OD1-N 3.12Å; D263-S265 PolarHBondContact OD1-OG 2.95Å; D263-Q266 HydrophobicContact CB-CB 4.42Å; D263-Q266 PolarHBondContact O-N 3.31Å; D263-M307 WeakPolarHBondContact O-CE 3.49Å
264L76.3Confident84.7Confident124 Ų12462.6 Ų62.665%0.64933%0.331SS*.THydrogen-bonded Turntrans-65.7-14.1178.1-65.8173.5000114.2S262 M307 V311S262-L264 PolarHBondContact O-N 3.46Å; L264-M307 HydrophobicContact CD2-CB 4.41Å; L264-M307 HydrophobicContact CD2-CG 3.81Å; L264-V311 HydrophobicContact CD2-CG2 4.3Å
265S73.5Confident84.5Confident104 Ų10462.4 Ų62.473%0.72733%0.332SS*.THydrogen-bonded Turntrans-89.4-10.2-178.172.80000113.6D263 Q267D263-S265 PolarHBondContact O-N 2.83Å; D263-S265 WeakPolarHBondContact OD1-CB 3.26Å; D263-S265 PolarHBondContact OD1-N 3.12Å; D263-S265 PolarHBondContact OD1-OG 2.95Å; S265-Q267 PolarHBondContact O-N 2.95Å
266Q76.6Confident84.4Confident88 Ų8864.5 Ų64.541%0.41135%0.346SS..  trans-70.4121.4-176.7-169.8176.525.100111.9D263 I268 M307D263-Q266 HydrophobicContact CB-CB 4.42Å; D263-Q266 PolarHBondContact O-N 3.31Å; Q266-I268 PolarHBondContact O-N 3.35Å; Q266-M307 HydrophobicContact CB-CE 3.93Å; Q266-M307 WeakPolarHBondContact O-CE 3.42Å
267Q73.5Confident84.1Confident163 Ų16367.4 Ų67.476%0.76238%0.379SS*.  trans-83.9111.9171.1-165.1176.812.200110.1S265S265-Q267 PolarHBondContact O-N 2.95Å
268I79.1Confident84Confident21 Ų2168 Ų6811%0.10838%0.38CS..  trans-91.2129.8-177.9-55.3143.4000109.2P258 Q266 M307 F310P258-I268 HydrophobicContact CB-CD1 3.56Å; P258-I268 HydrophobicContact CB-CG1 3.91Å; P258-I268 HydrophobicContact CG-CD1 3.53Å; P258-I268 HydrophobicContact CG-CG1 4.34Å; Q266-I268 PolarHBondContact O-N 3.35Å; I268-M307 HydrophobicContact CD1-CE 3.38Å; I268-M307 HydrophobicContact CD1-SD 3.74Å; I268-M307 HydrophobicContact CG1-CE 3.95Å; I268-F310 HydrophobicContact CD1-CD2 3.61Å; I268-F310 HydrophobicContact CD1-CE2 3.44Å; I268-F310 VanDerWaalsContact CD1-CE2 3.44Å; I268-F310 HydrophobicContact CD1-CG 4.28Å; I268-F310 HydrophobicContact CD1-CZ 4.01Å; I268-F310 HydrophobicContact CG2-CZ 4.49Å
269K83Confident84Confident202 Ų20272.9 Ų72.988%0.87840%0.402SS*.  trans-101.9100.3172.8-169.1175.4-177.8177.80109.9
270C89.2Confident84.3Confident6 Ų669.1 Ų69.14%0.04139%0.389CS..PPolyproline II helixtrans-77.6147.6170.8-71.10000110.7L272 Q284C270-L272 PolarHBondContact O-N 3.29Å; C270-Q284 HydrophobicContact CB-CB 4.02Å; C270-Q284 HydrophobicContact CB-CG 4.29Å
271P90.9Very high84.6Confident36 Ų3666.5 Ų66.523%0.23438%0.377CS..PPolyproline II helixtrans-59.2131.7172.3-21.332.5000110.9F127 V256 Q284 L285F127-P271 HydrophobicContact CD1-CB 4.29Å; F127-P271 HydrophobicContact CE1-CB 3.96Å; V256-P271 HydrophobicContact CG1-CG 3.85Å; P271-Q284 WeakPolarHBondContact O-CA 3.36Å; P271-L285 HydrophobicContact CB-CB 4.48Å; P271-L285 PolarHBondContact O-N 2.89Å
272L92.8Very high85Confident66 Ų6666.7 Ų66.735%0.34638%0.378SS..EExtended strand (participates in β ladder)trans-85.9137.8171.9-69.4170.9000110C270 P281 C283 Q284 T302C270-L272 PolarHBondContact O-N 3.29Å; L272-P281 HydrophobicContact CB-CB 3.75Å; L272-C283 CarbonylContact C-O 3.59Å; L272-C283 WeakPolarHBondContact CA-O 3.44Å; L272-Q284 HydrophobicContact CD2-CG 3.43Å; L272-Q284 VanDerWaalsContact CD2-CG 3.43Å; L272-Q284 HydrophobicContact CG-CG 4.48Å; L272-T302 HydrophobicContact CD2-CG2 4.17Å
273I92.7Very high85.7Confident0 Ų062.2 Ų62.20%035%0.346CS..EExtended strand (participates in β ladder)trans-135.3145.1-176.6-60.4-169.6000109.7L126 F127 Y219 A275 P281 N282 C283 L285 L298L126-I273 HydrophobicContact CD1-CG2 3.36Å; L126-I273 HydrophobicContact CG-CG2 3.68Å; L126-I273 CarbonylContact O-C 3.54Å; L126-I273 WeakPolarHBondContact O-CA 3.37Å; F127-I273 HydrophobicContact CD1-CD1 4.25Å; F127-I273 HydrophobicContact CD1-CG1 3.79Å; F127-I273 HydrophobicContact CE1-CD1 3.61Å; F127-I273 HydrophobicContact CE1-CG1 3.65Å; F127-I273 HydrophobicContact CZ-CD1 4.07Å; F127-I273 HydrophobicContact CZ-CG1 4.49Å; Y219-I273 WeakPolarHBondContact OH-CG2 3.24Å; I273-A275 PolarHBondContact O-N 2.62Å; I273-P281 WeakPolarHBondContact O-CA 3.27Å; I273-N282 PolarHBondContact O-N 3.15Å; I273-C283 PolarHBondContact N-O 3.14Å; I273-C283 PolarHBondContact O-N 3.01Å; I273-L285 HydrophobicContact CD1-CB 3.6Å; I273-L285 HydrophobicContact CD1-CD1 4.38Å; I273-L285 HydrophobicContact CD1-CD2 3.72Å; I273-L285 HydrophobicContact CD1-CG 4.09Å; I273-L285 HydrophobicContact CG1-CB 4.21Å; I273-L298 HydrophobicContact CD1-CD2 4.47Å
274C91Very high86.4Confident8 Ų859.3 Ų59.35%0.05433%0.331CS..  trans-72.9114170.1-58.10000109.9E125 L126 G129 Y219 P281E125-C274 PolarHBondContact O-SG 2.89Å; L126-C274 PolarHBondContact O-N 3.28Å; G129-C274 WeakPolarHBondContact CA-SG 3.18Å; Y219-C274 WeakPolarHBondContact CE2-O 3.49Å; Y219-C274 VanDerWaalsContact CZ-O 3.27Å; Y219-C274 PolarHBondContact OH-O 3.22Å; C274-P281 VanDerWaalsContact SG-N 3.39Å
275A88.1Confident87.2Confident4 Ų453.4 Ų53.43%0.03330%0.3CS..  trans-56.8160.3170.500000111.6I273 G277 S278 N282I273-A275 PolarHBondContact O-N 2.62Å; A275-G277 PolarHBondContact O-N 2.85Å; A275-S278 VanDerWaalsContact O-CB 3.26Å; A275-S278 WeakPolarHBondContact O-CB 3.01Å; A275-S278 PolarHBondContact O-N 3.4Å; A275-N282 WeakPolarHBondContact CB-OD1 3.33Å; A275-N282 PolarHBondContact N-OD1 3.16Å
276P84.4Confident88.1Confident57 Ų5748.5 Ų48.537%0.3727%0.265SS..THydrogen-bonded Turntrans-49.7126.3173.3-26.734.6000112.1L215 Y219 S278L215-P276 HydrophobicContact CD2-CG 3.43Å; L215-P276 VanDerWaalsContact CD2-CG 3.43Å; Y219-P276 HydrophobicContact CD1-CG 4.15Å; Y219-P276 HydrophobicContact CD2-CB 4.44Å; Y219-P276 HydrophobicContact CD2-CG 4.03Å; Y219-P276 HydrophobicContact CE1-CG 4.28Å; Y219-P276 HydrophobicContact CE2-CG 4.17Å; Y219-P276 HydrophobicContact CG-CG 4.01Å; P276-S278 PolarHBondContact O-N 3.45Å
277G84Confident88.9Confident76 Ų7644.3 Ų44.378%0.78425%0.246SC*.THydrogen-bonded Turntrans78.2-9.2-177.200000115.6A275A275-G277 PolarHBondContact O-N 2.85Å
278S88.1Confident89.9Confident30 Ų3036.6 Ų36.621%0.2121%0.209CC..  trans-76.8141.1173.8-169.50000111.5A275 P276 L280A275-S278 VanDerWaalsContact O-CB 3.26Å; A275-S278 WeakPolarHBondContact O-CB 3.01Å; A275-S278 PolarHBondContact O-N 3.4Å; P276-S278 PolarHBondContact O-N 3.45Å; S278-L280 PolarHBondContact OG-N 3.09Å; S278-L280 PolarHBondContact OG-O 3.21Å
279H88.5Confident90.6Very high108 Ų10836.1 Ų36.150%0.521%0.207SC..SBendtrans-91.7-16.5174.4-61.1-56.6000113.3G129 K130 E133G129-H279 CarbonylContact C-O 3.59Å; G129-H279 VanDerWaalsContact CA-O 3.31Å; G129-H279 WeakPolarHBondContact CA-O 3.29Å; K130-H279 HydrophobicContact CB-CB 4.45Å; K130-H279 HydrophobicContact CG-CB 4.43Å; K130-H279 PolarHBondContact N-O 3Å; E133-H279 HydrophobicContact CB-CB 3.95Å; E133-H279 HydrophobicContact CG-CB 3.95Å
280L90.1Very high91Very high66 Ų6626.5 Ų26.535%0.34617%0.165SC..SBendtrans-129.9154179.1-69.5171.7000110.6E133 I134 S278 N282E133-L280 HydrophobicContact CG-CD1 4.39Å; E133-L280 HydrophobicContact CG-CD2 4.45Å; E133-L280 HydrophobicContact CG-CG 4.18Å; I134-L280 HydrophobicContact CG1-CD2 4.48Å; S278-L280 PolarHBondContact OG-N 3.09Å; S278-L280 PolarHBondContact OG-O 3.21Å; L280-N282 PolarHBondContact O-N 3.15Å
281P90.6Very high91Very high29 Ų2928.3 Ų28.319%0.18817%0.174CC..  trans-61.3122.1178-22.534.1000111F127 L272 I273 C274F127-P281 WeakPolarHBondContact O-CG 3.31Å; L272-P281 HydrophobicContact CB-CB 3.75Å; I273-P281 WeakPolarHBondContact O-CA 3.27Å; C274-P281 VanDerWaalsContact SG-N 3.39Å
282N92.6Very high90.7Very high49 Ų4933.3 Ų33.326%0.26219%0.188SC..  trans-137.8-1.4-174.568.8-25000113.1I273 A275 L280 G301I273-N282 PolarHBondContact O-N 3.15Å; A275-N282 WeakPolarHBondContact CB-OD1 3.33Å; A275-N282 PolarHBondContact N-OD1 3.16Å; L280-N282 PolarHBondContact O-N 3.15Å; N282-G301 CarbonylContact O-C 3.44Å; N282-G301 WeakPolarHBondContact O-CA 3.42Å; N282-G301 PolarHBondContact O-N 2.99Å
283C94Very high90.7Very high0 Ų030.1 Ų30.10%017%0.172CC..EExtended strand (participates in β ladder)trans-125.6152.2175-74.20000111E200 L272 I273 L298 I299E200-C283 PolarHBondContact OE2-SG 2.82Å; E200-C283 VanDerWaalsContact OE2-SG 3.37Å; L272-C283 CarbonylContact C-O 3.59Å; L272-C283 WeakPolarHBondContact CA-O 3.44Å; I273-C283 PolarHBondContact N-O 3.14Å; I273-C283 PolarHBondContact O-N 3.01Å; C283-L298 HydrophobicContact CB-CB 4.32Å; C283-I299 CarbonylContact C-O 3.55Å; C283-I299 WeakPolarHBondContact CA-O 3.23Å
284Q94.6Very high90.6Very high9 Ų930.4 Ų30.44%0.04217%0.173CC..EExtended strand (participates in β ladder)trans-103.7133.1171.6-74.7170.883.100110.4C270 P271 L272 L298 I299 G301 D303 I305C270-Q284 HydrophobicContact CB-CB 4.02Å; C270-Q284 HydrophobicContact CB-CG 4.29Å; P271-Q284 WeakPolarHBondContact O-CA 3.36Å; L272-Q284 HydrophobicContact CD2-CG 3.43Å; L272-Q284 VanDerWaalsContact CD2-CG 3.43Å; L272-Q284 HydrophobicContact CG-CG 4.48Å; Q284-L298 WeakPolarHBondContact O-CA 3.36Å; Q284-I299 PolarHBondContact N-O 3.02Å; Q284-I299 PolarHBondContact O-N 2.62Å; Q284-G301 PolarHBondContact NE2-O 3.37Å; Q284-D303 PolarHBondContact NE2-O 3.24Å; Q284-I305 HydrophobicContact CB-CD1 3.82Å; Q284-I305 HydrophobicContact CG-CD1 4.4Å
285L93.6Very high90.8Very high0 Ų030 Ų300%017%0.171CC..EExtended strand (participates in β ladder)trans-85.8127.9175.4178.465.7000110.9Y226 V256 P271 I273 T287 C296 L298Y226-L285 HydrophobicContact CD1-CD2 4.34Å; Y226-L285 HydrophobicContact CE1-CD2 3.97Å; V256-L285 VanDerWaalsContact CG1-O 3.31Å; V256-L285 WeakPolarHBondContact CG1-O 3.43Å; P271-L285 HydrophobicContact CB-CB 4.48Å; P271-L285 PolarHBondContact O-N 2.89Å; I273-L285 HydrophobicContact CD1-CB 3.6Å; I273-L285 HydrophobicContact CD1-CD1 4.38Å; I273-L285 HydrophobicContact CD1-CD2 3.72Å; I273-L285 HydrophobicContact CD1-CG 4.09Å; I273-L285 HydrophobicContact CG1-CB 4.21Å; L285-T287 HydrophobicContact CD1-CG2 4.21Å; L285-T287 HydrophobicContact CG-CG2 4.33Å; L285-C296 WeakPolarHBondContact CD1-SG 3.5Å; L285-L298 HydrophobicContact CB-CD2 4.29Å; L285-L298 HydrophobicContact CD1-CD2 3.8Å
286I93.5Very high91.1Very high0 Ų030 Ų300%017%0.17CC..EExtended strand (participates in β ladder)trans-121.9137.3168-58.1179.5000108.5Y254 V256 C296 L297 I299 I305 F309 F310Y254-I286 HydrophobicContact CD1-CG2 3.75Å; Y254-I286 HydrophobicContact CE1-CG2 3.7Å; V256-I286 WeakPolarHBondContact O-CG2 3.29Å; I286-C296 WeakPolarHBondContact O-CA 3.36Å; I286-L297 HydrophobicContact CB-CB 4.44Å; I286-L297 PolarHBondContact N-O 2.62Å; I286-L297 PolarHBondContact O-N 3.39Å; I286-I299 HydrophobicContact CD1-CD1 3.29Å; I286-I299 HydrophobicContact CD1-CG1 3.87Å; I286-I299 HydrophobicContact CG1-CD1 4.32Å; I286-I299 HydrophobicContact CG1-CG1 4.42Å; I286-I305 HydrophobicContact CD1-CD1 3.79Å; I286-I305 HydrophobicContact CG1-CD1 4.16Å; I286-F309 HydrophobicContact CD1-CD1 4.38Å; I286-F309 HydrophobicContact CD1-CE1 3.65Å; I286-F309 HydrophobicContact CD1-CZ 4.37Å; I286-F310 HydrophobicContact CD1-CE1 3.67Å; I286-F310 HydrophobicContact CD1-CZ 4.11Å; I286-F310 HydrophobicContact CG1-CE1 4.24Å; I286-F310 HydrophobicContact CG2-CE1 4.4Å
287T93.1Very high91.6Very high0 Ų027.4 Ų27.40%015%0.153CC..EExtended strand (participates in β ladder)trans-128.3130.2172.157.10000110.1L227 L231 L255 V256 L285 L295 C296L227-T287 HydrophobicContact CD2-CG2 3.61Å; L231-T287 HydrophobicContact CD1-CG2 4.31Å; L255-T287 VanDerWaalsContact CB-OG1 3.26Å; L255-T287 WeakPolarHBondContact CB-OG1 3.36Å; L255-T287 PolarHBondContact N-O 3.24Å; V256-T287 WeakPolarHBondContact CB-OG1 3.45Å; V256-T287 HydrophobicContact CG2-CG2 4.46Å; V256-T287 WeakPolarHBondContact CG2-OG1 3.39Å; V256-T287 PolarHBondContact N-O 3.19Å; V256-T287 PolarHBondContact N-OG1 2.89Å; V256-T287 PolarHBondContact O-N 2.91Å; V256-T287 VanDerWaalsContact O-N 3.16Å; L285-T287 HydrophobicContact CD1-CG2 4.21Å; L285-T287 HydrophobicContact CG-CG2 4.33Å; T287-L295 CarbonylContact C-O 3.52Å; T287-L295 WeakPolarHBondContact CA-O 3Å; T287-C296 HydrophobicContact CG2-CB 4.29Å
288Y94.2Very high92Very high1 Ų123.8 Ų23.80%0.00412%0.116CC..EExtended strand (participates in β ladder)trans-125.4127.7-177.7-169.6-91.6000109.2H250 G252 R253 Y254 V294 L295 F313 D314 V317 G318 L321H250-Y288 PolarHBondContact CE1-OH 2.91Å; G252-Y288 VanDerWaalsContact C-CZ 3.48Å; G252-Y288 VanDerWaalsContact CA-OH 3.22Å; G252-Y288 WeakPolarHBondContact CA-OH 3.42Å; G252-Y288 PolarHBondContact O-OH 2.67Å; R253-Y288 CarbonylContact O-C 3.24Å; R253-Y288 WeakPolarHBondContact O-CA 3.42Å; R253-Y288 WeakPolarHBondContact O-CD2 3.15Å; Y254-Y288 AromaticContact CD1-CD2 3.62Å; Y254-Y288 HydrophobicContact CD1-CD2 3.62Å; Y254-Y288 HydrophobicContact CD1-CE2 4.48Å; Y254-Y288 HydrophobicContact CD1-CG 4.49Å; Y254-Y288 AromaticContact CD2-CD2 3.95Å; Y254-Y288 HydrophobicContact CD2-CD2 3.95Å; Y254-Y288 HydrophobicContact CD2-CE2 4.03Å; Y254-Y288 AromaticContact CE1-CD2 3.54Å; Y254-Y288 HydrophobicContact CE1-CD2 3.54Å; Y254-Y288 HydrophobicContact CE1-CE2 4.29Å; Y254-Y288 HydrophobicContact CE1-CG 4.42Å; Y254-Y288 AromaticContact CE2-CD2 3.87Å; Y254-Y288 HydrophobicContact CE2-CD2 3.87Å; Y254-Y288 AromaticContact CE2-CE2 3.8Å; Y254-Y288 HydrophobicContact CE2-CE2 3.8Å; Y254-Y288 AromaticContact CG-CD2 3.81Å; Y254-Y288 HydrophobicContact CG-CD2 3.81Å; Y254-Y288 HydrophobicContact CG-CE2 4.35Å; Y254-Y288 AromaticContact CZ-CD2 3.67Å; Y254-Y288 AromaticContact CZ-CE2 3.95Å; Y288-V294 WeakPolarHBondContact O-CA 3.22Å; Y288-L295 PolarHBondContact N-O 2.83Å; Y288-L295 PolarHBondContact O-N 3.27Å; Y288-F313 HydrophobicContact CD1-CE1 4.28Å; Y288-F313 HydrophobicContact CD2-CD1 4.37Å; Y288-F313 HydrophobicContact CD2-CE1 4.1Å; Y288-F313 AromaticContact CG-CE1 3.87Å; Y288-F313 HydrophobicContact CG-CE1 3.87Å; Y288-D314 HydrophobicContact CE2-CB 4.47Å; Y288-D314 VanDerWaalsContact CE2-OD1 3.29Å; Y288-D314 WeakPolarHBondContact CE2-OD1 3.4Å; Y288-D314 VanDerWaalsContact CZ-OD1 3.3Å; Y288-D314 PolarHBondContact OH-OD1 2.97Å; Y288-V317 HydrophobicContact CD1-CG1 4.46Å; Y288-G318 VanDerWaalsContact OH-CA 3.23Å; Y288-G318 WeakPolarHBondContact OH-CA 3.36Å; Y288-L321 HydrophobicContact CD1-CD2 3.64Å; Y288-L321 HydrophobicContact CE1-CD2 4.07Å
289Q92.7Very high92.3Very high12 Ų1222.6 Ų22.66%0.05611%0.107CC..EExtended strand (participates in β ladder)trans-115.5135.4-176176.3-177.754.900109.7G252 R253 L255 A293 V294G252-Q289 CarbonylContact C-O 3.51Å; G252-Q289 VanDerWaalsContact CA-O 3.27Å; G252-Q289 WeakPolarHBondContact CA-O 3.47Å; R253-Q289 PolarHBondContact N-O 2.88Å; R253-Q289 VanDerWaalsContact NE-OE1 3.14Å; R253-Q289 PolarHBondContact O-N 3.42Å; L255-Q289 HydrophobicContact CD1-CB 3.73Å; L255-Q289 HydrophobicContact CD1-CG 4.38Å; L255-Q289 HydrophobicContact CD2-CB 4.31Å; L255-Q289 HydrophobicContact CG-CB 3.7Å; Q289-A293 WeakPolarHBondContact CA-O 3.12Å; Q289-V294 HydrophobicContact CB-CG2 4.08Å; Q289-V294 HydrophobicContact CG-CG2 3.95Å
290A91.9Very high92.5Very high0 Ų024.1 Ų24.10%011%0.112CC..EExtended strand (participates in β ladder)trans-131121.8160.300000108.4R292 A293 L321 A325A290-R292 PolarHBondContact O-N 3.44Å; A290-A293 PolarHBondContact N-O 3.37Å; A290-A293 PolarHBondContact O-N 3.2Å; A290-L321 HydrophobicContact CB-CB 4.05Å; A290-L321 HydrophobicContact CB-CD2 3.81Å; A290-L321 HydrophobicContact CB-CG 3.76Å; A290-A325 WeakPolarHBondContact O-CB 3.14Å
291L88.9Confident92.5Very high44 Ų4422.3 Ų22.323%0.2311%0.109CC..THydrogen-bonded Turntrans52.3-120.8-173.4-59.9171.8000111.1L251 T322 A325 E326L251-L291 HydrophobicContact CB-CD2 4.48Å; L251-L291 HydrophobicContact CD1-CD2 3.57Å; L251-L291 HydrophobicContact CD1-CG 4.18Å; L291-T322 HydrophobicContact CD1-CG2 4.27Å; L291-A325 HydrophobicContact CB-CB 3.98Å; L291-A325 HydrophobicContact CD1-CB 4.13Å; L291-E326 HydrophobicContact CD1-CG 3.42Å; L291-E326 VanDerWaalsContact CD1-CG 3.42Å
292R86.1Confident92.4Very high140 Ų14024.7 Ų24.753%0.52812%0.123SC..THydrogen-bonded Turntrans-91.9-4.5179.7-59.4-177.4-178.1-1792113.6F206 E207 A290F206-R292 WeakPolarHBondContact CA-O 2.98Å; F206-R292 HydrophobicContact CD2-CB 4.29Å; F206-R292 HydrophobicContact CE1-CB 4.42Å; F206-R292 HydrophobicContact CE2-CB 3.78Å; F206-R292 HydrophobicContact CZ-CB 3.87Å; E207-R292 HydrophobicContact CG-CB 3.99Å; E207-R292 HydrophobicContact CG-CG 4.36Å; E207-R292 PolarHBondContact N-O 2.75Å; E207-R292 VanDerWaalsContact OE1-CD 3.25Å; E207-R292 WeakPolarHBondContact OE1-CD 3.4Å; E207-R292 IonicContact OE1-CZ 2.78Å; E207-R292 IonicContact OE1-NE 3.78Å; E207-R292 IonicContact OE1-NH1 3.99Å; E207-R292 PolarHBondContact OE1-NH1 2.8Å; A290-R292 PolarHBondContact O-N 3.44Å
293A91.1Very high92.2Very high0 Ų028.4 Ų28.40%014%0.143CC..EExtended strand (participates in β ladder)trans-91.3137.1177.400000110.6F204 F205 F206 Q289 A290 L321 A325F204-A293 HydrophobicContact CE1-CB 4.35Å; F204-A293 HydrophobicContact CZ-CB 3.8Å; F205-A293 WeakPolarHBondContact O-CA 3.03Å; F206-A293 HydrophobicContact CD2-CB 4.05Å; Q289-A293 WeakPolarHBondContact CA-O 3.12Å; A290-A293 PolarHBondContact N-O 3.37Å; A290-A293 PolarHBondContact O-N 3.2Å; A293-L321 HydrophobicContact CB-CD1 3.94Å; A293-L321 HydrophobicContact CB-CG 4.26Å; A293-A325 HydrophobicContact CB-CB 3.66Å
294V91.9Very high92Very high5 Ų532 Ų323%0.0317%0.167CC..EExtended strand (participates in β ladder)trans-129.8122.8176.3179.40000108.8F205 F232 L255 Y288 Q289F205-V294 HydrophobicContact CB-CB 4.31Å; F205-V294 PolarHBondContact N-O 3.38Å; F205-V294 PolarHBondContact O-N 3.47Å; F232-V294 HydrophobicContact CD1-CG2 4.46Å; F232-V294 HydrophobicContact CE1-CB 4.07Å; F232-V294 HydrophobicContact CE1-CG1 4.02Å; F232-V294 HydrophobicContact CE1-CG2 3.68Å; F232-V294 HydrophobicContact CZ-CB 4.33Å; F232-V294 HydrophobicContact CZ-CG1 4.37Å; F232-V294 HydrophobicContact CZ-CG2 4.33Å; L255-V294 HydrophobicContact CD1-CG1 4.2Å; L255-V294 HydrophobicContact CD1-CG2 4.22Å; Y288-V294 WeakPolarHBondContact O-CA 3.22Å; Q289-V294 HydrophobicContact CB-CG2 4.08Å; Q289-V294 HydrophobicContact CG-CG2 3.95Å
295L94.5Very high91.8Very high1 Ų132.3 Ų32.31%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-102.9124.9174.4177.364.3000108.9L189 I192 F204 T287 Y288 L297 F313 V317 L321L189-L295 HydrophobicContact CD2-CD1 3.35Å; I192-L295 HydrophobicContact CD1-CD2 3.51Å; F204-L295 HydrophobicContact CD2-CD1 4.37Å; T287-L295 CarbonylContact C-O 3.52Å; T287-L295 WeakPolarHBondContact CA-O 3Å; Y288-L295 PolarHBondContact N-O 2.83Å; Y288-L295 PolarHBondContact O-N 3.27Å; L295-L297 HydrophobicContact CD1-CD2 4.1Å; L295-L297 HydrophobicContact CD2-CD2 4.35Å; L295-L297 HydrophobicContact CG-CD2 4.11Å; L295-L297 HydrophobicContact CG-CG 4.27Å; L295-F313 HydrophobicContact CD2-CZ 3.74Å; L295-V317 HydrophobicContact CD2-CG1 3.99Å; L295-L321 HydrophobicContact CB-CD2 4.32Å
296C94.1Very high91.6Very high2 Ų236.1 Ų36.11%0.01419%0.193CC..EExtended strand (participates in β ladder)trans-109.2133.4176.9179.60000108.9S202 A203 F205 L227 L285 I286 T287S202-C296 CarbonylContact C-O 3.5Å; S202-C296 WeakPolarHBondContact CA-O 3.43Å; A203-C296 HydrophobicContact CB-CB 4.22Å; A203-C296 PolarHBondContact N-O 3.29Å; A203-C296 PolarHBondContact O-N 3.11Å; F205-C296 HydrophobicContact CD2-CB 4.41Å; F205-C296 HydrophobicContact CE2-CB 3.83Å; L227-C296 HydrophobicContact CD1-CB 4.47Å; L285-C296 WeakPolarHBondContact CD1-SG 3.5Å; I286-C296 WeakPolarHBondContact O-CA 3.36Å; T287-C296 HydrophobicContact CG2-CB 4.29Å
297L94.7Very high91.4Very high3 Ų337 Ų372%0.01620%0.197CC..EExtended strand (participates in β ladder)trans-129.8136.2179.3-57.1175.6000109.9I192 T199 I286 L295 F313I192-L297 HydrophobicContact CG2-CD1 4.37Å; I192-L297 HydrophobicContact CG2-CD2 4.25Å; T199-L297 HydrophobicContact CG2-CB 4.47Å; T199-L297 HydrophobicContact CG2-CD2 3.94Å; I286-L297 HydrophobicContact CB-CB 4.44Å; I286-L297 PolarHBondContact N-O 2.62Å; I286-L297 PolarHBondContact O-N 3.39Å; L295-L297 HydrophobicContact CD1-CD2 4.1Å; L295-L297 HydrophobicContact CD2-CD2 4.35Å; L295-L297 HydrophobicContact CG-CD2 4.11Å; L295-L297 HydrophobicContact CG-CG 4.27Å; L297-F313 HydrophobicContact CD1-CD2 4.2Å; L297-F313 HydrophobicContact CD1-CE1 4.48Å; L297-F313 HydrophobicContact CD1-CE2 3.25Å; L297-F313 HydrophobicContact CD1-CZ 3.41Å; L297-F313 VanDerWaalsContact CD1-CZ 3.41Å
298L94.2Very high91.3Very high1 Ų144.5 Ų44.51%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-103115.8165.9-62.5-176.6000108.6E200 H201 L215 Y219 I223 I273 C283 Q284 L285E200-L298 PolarHBondContact N-O 3.08Å; H201-L298 HydrophobicContact CB-CB 4.22Å; H201-L298 HydrophobicContact CB-CD1 4.3Å; H201-L298 PolarHBondContact N-O 2.93Å; H201-L298 PolarHBondContact O-N 3.47Å; L215-L298 HydrophobicContact CD1-CD1 3.83Å; L215-L298 HydrophobicContact CD1-CG 4.5Å; L215-L298 HydrophobicContact CD2-CD1 3.95Å; L215-L298 HydrophobicContact CG-CD1 4.43Å; Y219-L298 HydrophobicContact CE1-CD1 4.07Å; I223-L298 HydrophobicContact CD1-CD1 4.3Å; I223-L298 HydrophobicContact CD1-CD2 4.37Å; I273-L298 HydrophobicContact CD1-CD2 4.47Å; C283-L298 HydrophobicContact CB-CB 4.32Å; Q284-L298 WeakPolarHBondContact O-CA 3.36Å; L285-L298 HydrophobicContact CB-CD2 4.29Å; L285-L298 HydrophobicContact CD1-CD2 3.8Å
299I94Very high91.3Very high5 Ų545.4 Ų45.43%0.02624%0.237CC..EExtended strand (participates in β ladder)trans-97.4127.2176.9-57.4-155.5000109C198 C283 Q284 I286 I305 F309C198-I299 HydrophobicContact CB-CG2 3.9Å; C198-I299 WeakPolarHBondContact O-CA 2.89Å; C283-I299 CarbonylContact C-O 3.55Å; C283-I299 WeakPolarHBondContact CA-O 3.23Å; Q284-I299 PolarHBondContact N-O 3.02Å; Q284-I299 PolarHBondContact O-N 2.62Å; I286-I299 HydrophobicContact CD1-CD1 3.29Å; I286-I299 HydrophobicContact CD1-CG1 3.87Å; I286-I299 HydrophobicContact CG1-CD1 4.32Å; I286-I299 HydrophobicContact CG1-CG1 4.42Å; I299-I305 HydrophobicContact CB-CD1 4.33Å; I299-I305 HydrophobicContact CD1-CD1 4.08Å; I299-I305 HydrophobicContact CD1-CG1 4.47Å; I299-I305 HydrophobicContact CG2-CD1 4.48Å; I299-I305 HydrophobicContact CG2-CG1 4.34Å; I299-F309 HydrophobicContact CD1-CD1 4.33Å; I299-F309 HydrophobicContact CD1-CE1 3.57Å; I299-F309 HydrophobicContact CD1-CE2 3.77Å; I299-F309 HydrophobicContact CD1-CZ 3.25Å
300K91.6Very high91.3Very high140 Ų14044.9 Ų44.961%0.60923%0.234SC*.EExtended strand (participates in β ladder)trans-67.3134.5178.1-171.7171.3-176.8167.90111.2C198 E200C198-K300 PolarHBondContact O-N 2.83Å; E200-K300 HydrophobicContact CB-CB 4.37Å; E200-K300 WeakPolarHBondContact OE2-CB 3.38Å; E200-K300 WeakPolarHBondContact OE2-CG 3.34Å
301G90.4Very high91.4Very high27 Ų2746.7 Ų46.728%0.27825%0.245SC..  trans110.7155.917500000113.4N282 Q284N282-G301 CarbonylContact O-C 3.44Å; N282-G301 WeakPolarHBondContact O-CA 3.42Å; N282-G301 PolarHBondContact O-N 2.99Å; Q284-G301 PolarHBondContact NE2-O 3.37Å
302T88.1Confident91.6Very high79 Ų7948.5 Ų48.549%0.48525%0.252SS..SBendtrans-99.1-14.3179.752.50000113.1L272L272-T302 HydrophobicContact CD2-CG2 4.17Å
303D89.7Confident92Very high128 Ų12841.8 Ų41.868%0.68423%0.227SC*.SBendtrans-71142.4-178.3-62.6-33.2000110.7Q284 I305Q284-D303 PolarHBondContact NE2-O 3.24Å; D303-I305 PolarHBondContact O-N 3.38Å
304P88.7Confident92.2Very high75 Ų7543 Ų4349%0.48723%0.233SC..PPolyproline II helixtrans-53.2127.1-179.7-25.133.1000111.9
305I90.5Very high92.3Very high15 Ų1550 Ų508%0.07726%0.259CS..PPolyproline II helixtrans-66.4128.2177.8-62.2150000108.7Q284 I286 I299 D303 F309 F310Q284-I305 HydrophobicContact CB-CD1 3.82Å; Q284-I305 HydrophobicContact CG-CD1 4.4Å; I286-I305 HydrophobicContact CD1-CD1 3.79Å; I286-I305 HydrophobicContact CG1-CD1 4.16Å; I299-I305 HydrophobicContact CB-CD1 4.33Å; I299-I305 HydrophobicContact CD1-CD1 4.08Å; I299-I305 HydrophobicContact CD1-CG1 4.47Å; I299-I305 HydrophobicContact CG2-CD1 4.48Å; I299-I305 HydrophobicContact CG2-CG1 4.34Å; D303-I305 PolarHBondContact O-N 3.38Å; I305-F309 HydrophobicContact CG2-CB 3.74Å; I305-F309 HydrophobicContact CG2-CD1 3.55Å; I305-F309 HydrophobicContact CG2-CE1 4.37Å; I305-F309 HydrophobicContact CG2-CG 3.68Å; I305-F310 HydrophobicContact CB-CE2 3.73Å; I305-F310 HydrophobicContact CB-CZ 3.94Å; I305-F310 HydrophobicContact CD1-CZ 4.19Å; I305-F310 HydrophobicContact CG2-CD2 4.16Å; I305-F310 HydrophobicContact CG2-CE2 3.5Å; I305-F310 HydrophobicContact CG2-CZ 3.83Å
306P89.7Confident92.3Very high81 Ų8150.7 Ų50.753%0.52626%0.263SS..PPolyproline II helixtrans-65143.9-177.525.8-34.2000111.5E308 F309P306-E308 PolarHBondContact O-N 3.09Å; P306-E308 VanDerWaalsContact O-N 3.14Å; P306-F309 HydrophobicContact CG-CB 4.3Å; P306-F309 VanDerWaalsContact O-CB 3.24Å; P306-F309 WeakPolarHBondContact O-CB 3.3Å; P306-F309 PolarHBondContact O-N 3.08Å
307M90.1Very high92.4Very high17 Ų1750.6 Ų50.68%0.08426%0.262CS..Hα-helixtrans-57.1-33-179.8-172.56375.100112.8P258 L261 D263 L264 Q266 I268 F309 F310 V311P258-M307 HydrophobicContact CB-CE 4.26Å; P258-M307 HydrophobicContact CB-SD 4.2Å; P258-M307 HydrophobicContact CG-SD 4.12Å; L261-M307 HydrophobicContact CD2-SD 4.45Å; D263-M307 WeakPolarHBondContact O-CE 3.49Å; L264-M307 HydrophobicContact CD2-CB 4.41Å; L264-M307 HydrophobicContact CD2-CG 3.81Å; Q266-M307 HydrophobicContact CB-CE 3.93Å; Q266-M307 WeakPolarHBondContact O-CE 3.42Å; I268-M307 HydrophobicContact CD1-CE 3.38Å; I268-M307 HydrophobicContact CD1-SD 3.74Å; I268-M307 HydrophobicContact CG1-CE 3.95Å; M307-F309 PolarHBondContact O-N 3.49Å; M307-F310 PolarHBondContact O-N 3.36Å; M307-F310 HydrophobicContact SD-CB 4.31Å; M307-F310 HydrophobicContact SD-CD2 4.38Å; M307-V311 HydrophobicContact CG-CG2 4.31Å; M307-V311 PolarHBondContact O-N 3.08Å; M307-V311 VanDerWaalsContact O-N 3.09Å
308E90.4Very high92.4Very high159 Ų15950.5 Ų50.574%0.74326%0.261SS*.Hα-helixtrans-55-36176.2-63.7-179.3-177.500112.8P306 V311 E312P306-E308 PolarHBondContact O-N 3.09Å; P306-E308 VanDerWaalsContact O-N 3.14Å; E308-V311 PolarHBondContact O-N 3.47Å; E308-E312 WeakPolarHBondContact O-CB 3.39Å; E308-E312 PolarHBondContact O-N 2.89Å
309F92.9Very high92.4Very high20 Ų2052.8 Ų52.89%0.08828%0.276CS..Hα-helixtrans-59.2-49.8174.2171.6-86.2000110.8F196 I286 I299 I305 P306 M307 V311 E312 F313F196-F309 HydrophobicContact CB-CE2 3.91Å; F196-F309 AromaticContact CD1-CD2 3.59Å; F196-F309 HydrophobicContact CD1-CD2 3.59Å; F196-F309 AromaticContact CD1-CE2 3.29Å; F196-F309 HydrophobicContact CD1-CE2 3.29Å; F196-F309 HydrophobicContact CD1-CZ 4.15Å; F196-F309 HydrophobicContact CE1-CD2 4.04Å; F196-F309 HydrophobicContact CE1-CE2 4Å; F196-F309 HydrophobicContact CG-CD2 4.48Å; F196-F309 AromaticContact CG-CE2 3.75Å; F196-F309 HydrophobicContact CG-CE2 3.75Å; F196-F309 HydrophobicContact CG-CZ 4.38Å; I286-F309 HydrophobicContact CD1-CD1 4.38Å; I286-F309 HydrophobicContact CD1-CE1 3.65Å; I286-F309 HydrophobicContact CD1-CZ 4.37Å; I299-F309 HydrophobicContact CD1-CD1 4.33Å; I299-F309 HydrophobicContact CD1-CE1 3.57Å; I299-F309 HydrophobicContact CD1-CE2 3.77Å; I299-F309 HydrophobicContact CD1-CZ 3.25Å; I305-F309 HydrophobicContact CG2-CB 3.74Å; I305-F309 HydrophobicContact CG2-CD1 3.55Å; I305-F309 HydrophobicContact CG2-CE1 4.37Å; I305-F309 HydrophobicContact CG2-CG 3.68Å; P306-F309 HydrophobicContact CG-CB 4.3Å; P306-F309 VanDerWaalsContact O-CB 3.24Å; P306-F309 WeakPolarHBondContact O-CB 3.3Å; P306-F309 PolarHBondContact O-N 3.08Å; M307-F309 PolarHBondContact O-N 3.49Å; F309-V311 PolarHBondContact O-N 3.07Å; F309-E312 PolarHBondContact O-N 3.36Å; F309-F313 HydrophobicContact CE1-CB 4.29Å; F309-F313 HydrophobicContact CE1-CD2 4.4Å; F309-F313 HydrophobicContact CE1-CG 4.45Å; F309-F313 HydrophobicContact CZ-CD2 4.08Å; F309-F313 WeakPolarHBondContact O-CB 3.5Å; F309-F313 PolarHBondContact O-N 3.25Å
310F94.2Very high92.5Very high1 Ų156.9 Ų56.90%0.00429%0.292CS..Hα-helixtrans-66-40-176.6-64.1-83.9000111.6Y254 P258 L261 I268 I286 I305 M307 F313 D314Y254-F310 HydrophobicContact CD1-CD1 4.19Å; Y254-F310 AromaticContact CE1-CD1 3.65Å; Y254-F310 HydrophobicContact CE1-CD1 3.65Å; Y254-F310 HydrophobicContact CE1-CE1 4.26Å; Y254-F310 HydrophobicContact CE2-CB 4.15Å; Y254-F310 HydrophobicContact CE2-CD1 4.19Å; Y254-F310 AromaticContact CZ-CD1 3.64Å; Y254-F310 WeakPolarHBondContact OH-CA 3.36Å; Y254-F310 PolarHBondContact OH-O 3.39Å; P258-F310 VanDerWaalsContact CD-CE1 3.46Å; P258-F310 HydrophobicContact CG-CB 3.73Å; P258-F310 HydrophobicContact CG-CD1 3.7Å; P258-F310 HydrophobicContact CG-CD2 4.2Å; P258-F310 HydrophobicContact CG-CE1 4.32Å; P258-F310 HydrophobicContact CG-CG 3.63Å; L261-F310 HydrophobicContact CD2-CB 3.88Å; I268-F310 HydrophobicContact CD1-CD2 3.61Å; I268-F310 HydrophobicContact CD1-CE2 3.44Å; I268-F310 VanDerWaalsContact CD1-CE2 3.44Å; I268-F310 HydrophobicContact CD1-CG 4.28Å; I268-F310 HydrophobicContact CD1-CZ 4.01Å; I268-F310 HydrophobicContact CG2-CZ 4.49Å; I286-F310 HydrophobicContact CD1-CE1 3.67Å; I286-F310 HydrophobicContact CD1-CZ 4.11Å; I286-F310 HydrophobicContact CG1-CE1 4.24Å; I286-F310 HydrophobicContact CG2-CE1 4.4Å; I305-F310 HydrophobicContact CB-CE2 3.73Å; I305-F310 HydrophobicContact CB-CZ 3.94Å; I305-F310 HydrophobicContact CD1-CZ 4.19Å; I305-F310 HydrophobicContact CG2-CD2 4.16Å; I305-F310 HydrophobicContact CG2-CE2 3.5Å; I305-F310 HydrophobicContact CG2-CZ 3.83Å; M307-F310 PolarHBondContact O-N 3.36Å; M307-F310 HydrophobicContact SD-CB 4.31Å; M307-F310 HydrophobicContact SD-CD2 4.38Å; F310-F313 PolarHBondContact O-N 3.1Å; F310-D314 VanDerWaalsContact O-CB 3.3Å; F310-D314 WeakPolarHBondContact O-CB 3.37Å; F310-D314 PolarHBondContact O-N 3.39Å
311V93.1Very high92.6Very high37 Ų3750.2 Ų50.222%0.22426%0.263CS..Hα-helixtrans-65.1-45.3177.8175.70000111.6L261 L264 M307 E308 F309 R315L261-V311 HydrophobicContact CB-CG2 4.44Å; L261-V311 HydrophobicContact CD2-CG2 4.39Å; L264-V311 HydrophobicContact CD2-CG2 4.3Å; M307-V311 HydrophobicContact CG-CG2 4.31Å; M307-V311 PolarHBondContact O-N 3.08Å; M307-V311 VanDerWaalsContact O-N 3.09Å; E308-V311 PolarHBondContact O-N 3.47Å; F309-V311 PolarHBondContact O-N 3.07Å; V311-R315 WeakPolarHBondContact O-CB 3.29Å; V311-R315 PolarHBondContact O-N 3.1Å; V311-R315 VanDerWaalsContact O-N 3.12Å
312E93.5Very high92.8Very high82 Ų8249.4 Ų49.438%0.38325%0.252SS..Hα-helixtrans-70.2-37.7179-173.556.4-152.700111.7F196 E308 F309 R315 M316F196-E312 HydrophobicContact CE1-CB 4.44Å; F196-E312 HydrophobicContact CE1-CG 4.36Å; F196-E312 HydrophobicContact CZ-CB 4.5Å; F196-E312 HydrophobicContact CZ-CG 4.23Å; E308-E312 WeakPolarHBondContact O-CB 3.39Å; E308-E312 PolarHBondContact O-N 2.89Å; F309-E312 PolarHBondContact O-N 3.36Å; E312-R315 PolarHBondContact O-N 3.36Å; E312-R315 IonicContact OE2-CZ 3.76Å; E312-R315 IonicContact OE2-NE 2.77Å; E312-R315 IonicContact OE2-NH1 3.84Å; E312-R315 PolarHBondContact OE2-NH1 3.18Å; E312-M316 WeakPolarHBondContact O-CB 3.46Å; E312-M316 PolarHBondContact O-N 3.15Å
313F95.5Very high93Very high0 Ų051.2 Ų51.20%026%0.258CS..Hα-helixtrans-61.5-48.7175.1-176.5-82000111.7I192 F196 Y254 Y288 L295 L297 F309 F310 R315 M316 V317I192-F313 HydrophobicContact CG1-CE2 4.45Å; I192-F313 HydrophobicContact CG2-CE2 3.92Å; F196-F313 AromaticContact CD2-CD2 3.92Å; F196-F313 HydrophobicContact CD2-CD2 3.92Å; F196-F313 HydrophobicContact CD2-CE2 4.46Å; F196-F313 HydrophobicContact CE1-CB 4.24Å; F196-F313 HydrophobicContact CE2-CB 4.28Å; F196-F313 AromaticContact CE2-CD2 3.64Å; F196-F313 HydrophobicContact CE2-CD2 3.64Å; F196-F313 HydrophobicContact CE2-CE2 4.41Å; F196-F313 HydrophobicContact CE2-CG 4.38Å; F196-F313 VanDerWaalsContact CZ-CA 3.47Å; F196-F313 HydrophobicContact CZ-CB 3.82Å; F196-F313 HydrophobicContact CZ-CD2 4.02Å; F196-F313 HydrophobicContact CZ-CG 4.4Å; Y254-F313 HydrophobicContact CE1-CD1 4.17Å; Y254-F313 HydrophobicContact CE1-CE1 4.49Å; Y254-F313 AromaticContact CZ-CD1 3.92Å; Y254-F313 WeakPolarHBondContact OH-CB 3.43Å; Y254-F313 WeakPolarHBondContact OH-CD1 3.46Å; Y288-F313 HydrophobicContact CD1-CE1 4.28Å; Y288-F313 HydrophobicContact CD2-CD1 4.37Å; Y288-F313 HydrophobicContact CD2-CE1 4.1Å; Y288-F313 AromaticContact CG-CE1 3.87Å; Y288-F313 HydrophobicContact CG-CE1 3.87Å; L295-F313 HydrophobicContact CD2-CZ 3.74Å; L297-F313 HydrophobicContact CD1-CD2 4.2Å; L297-F313 HydrophobicContact CD1-CE1 4.48Å; L297-F313 HydrophobicContact CD1-CE2 3.25Å; L297-F313 HydrophobicContact CD1-CZ 3.41Å; L297-F313 VanDerWaalsContact CD1-CZ 3.41Å; F309-F313 HydrophobicContact CE1-CB 4.29Å; F309-F313 HydrophobicContact CE1-CD2 4.4Å; F309-F313 HydrophobicContact CE1-CG 4.45Å; F309-F313 HydrophobicContact CZ-CD2 4.08Å; F309-F313 WeakPolarHBondContact O-CB 3.5Å; F309-F313 PolarHBondContact O-N 3.25Å; F310-F313 PolarHBondContact O-N 3.1Å; F313-R315 PolarHBondContact O-N 2.94Å; F313-M316 PolarHBondContact O-N 3.32Å; F313-V317 HydrophobicContact CD1-CB 4.2Å; F313-V317 HydrophobicContact CD1-CG2 4.21Å; F313-V317 HydrophobicContact CD2-CG2 4.05Å; F313-V317 HydrophobicContact CE1-CB 3.82Å; F313-V317 HydrophobicContact CE1-CG1 4.01Å; F313-V317 HydrophobicContact CE1-CG2 3.91Å; F313-V317 HydrophobicContact CE2-CB 4.49Å; F313-V317 HydrophobicContact CE2-CG2 3.69Å; F313-V317 HydrophobicContact CG-CG2 4.29Å; F313-V317 HydrophobicContact CZ-CB 3.98Å; F313-V317 HydrophobicContact CZ-CG1 4.01Å; F313-V317 HydrophobicContact CZ-CG2 3.64Å; F313-V317 WeakPolarHBondContact O-CB 3.47Å; F313-V317 PolarHBondContact O-N 3.13Å
314D94.9Very high93.1Very high24 Ų2446 Ų4613%0.12823%0.23CC..Hα-helixtrans-58.3-47.2177.1-175.574.4000111.5H250 Y254 L261 Y288 F310 M316 G318H250-D314 IonicContact CE1-OD1 3.31Å; H250-D314 PolarHBondContact CE1-OD1 2.95Å; H250-D314 VanDerWaalsContact CE1-OD1 3.31Å; H250-D314 IonicContact CE1-OD2 3.3Å; H250-D314 PolarHBondContact CE1-OD2 3.3Å; H250-D314 VanDerWaalsContact CE1-OD2 3.3Å; H250-D314 IonicContact NE2-OD2 3.32Å; H250-D314 PolarHBondContact NE2-OD2 2.89Å; Y254-D314 HydrophobicContact CE2-CB 4.35Å; L261-D314 HydrophobicContact CD1-CB 3.54Å; Y288-D314 HydrophobicContact CE2-CB 4.47Å; Y288-D314 VanDerWaalsContact CE2-OD1 3.29Å; Y288-D314 WeakPolarHBondContact CE2-OD1 3.4Å; Y288-D314 VanDerWaalsContact CZ-OD1 3.3Å; Y288-D314 PolarHBondContact OH-OD1 2.97Å; F310-D314 VanDerWaalsContact O-CB 3.3Å; F310-D314 WeakPolarHBondContact O-CB 3.37Å; F310-D314 PolarHBondContact O-N 3.39Å; D314-M316 VanDerWaalsContact C-N 3.28Å; D314-M316 PolarHBondContact O-N 3.4Å; D314-G318 WeakPolarHBondContact O-CA 3.44Å; D314-G318 PolarHBondContact O-N 3.3Å
315R93.6Very high93.2Very high153 Ų15342.6 Ų42.658%0.57721%0.208SC*.Hα-helixtrans-57.8-39.3176.7-175.7-171.2-61.9162.5-1.6112.7V311 E312 F313V311-R315 WeakPolarHBondContact O-CB 3.29Å; V311-R315 PolarHBondContact O-N 3.1Å; V311-R315 VanDerWaalsContact O-N 3.12Å; E312-R315 PolarHBondContact O-N 3.36Å; E312-R315 IonicContact OE2-CZ 3.76Å; E312-R315 IonicContact OE2-NE 2.77Å; E312-R315 IonicContact OE2-NH1 3.84Å; E312-R315 PolarHBondContact OE2-NH1 3.18Å; F313-R315 PolarHBondContact O-N 2.94Å
316M94.6Very high93.2Very high16 Ų1646.6 Ų46.68%0.07923%0.227CC..Hα-helixtrans-81.4-48.9-177.4-165.4-78.8-88.700112R191 I192 F196 E312 F313 D314 R320R191-M316 HydrophobicContact CG-CE 4.27Å; R191-M316 HydrophobicContact CG-SD 4.43Å; I192-M316 HydrophobicContact CB-CE 4.36Å; I192-M316 HydrophobicContact CG1-CE 3.65Å; F196-M316 HydrophobicContact CD2-CE 4.37Å; F196-M316 HydrophobicContact CE2-CE 3.81Å; E312-M316 WeakPolarHBondContact O-CB 3.46Å; E312-M316 PolarHBondContact O-N 3.15Å; F313-M316 PolarHBondContact O-N 3.32Å; D314-M316 VanDerWaalsContact C-N 3.28Å; D314-M316 PolarHBondContact O-N 3.4Å; M316-R320 WeakPolarHBondContact O-CD 3.33Å; M316-R320 PolarHBondContact O-NH1 3.49Å
317V96Very high93.2Very high0 Ų047.4 Ų47.40%022%0.219CC..Hα-helixtrans-91.2-36.6-168.4179.90000111.9I192 Y288 L295 F313 R320 L321I192-V317 HydrophobicContact CD1-CG1 4.33Å; I192-V317 HydrophobicContact CD1-CG2 3.91Å; I192-V317 HydrophobicContact CG1-CG2 3.7Å; Y288-V317 HydrophobicContact CD1-CG1 4.46Å; L295-V317 HydrophobicContact CD2-CG1 3.99Å; F313-V317 HydrophobicContact CD1-CB 4.2Å; F313-V317 HydrophobicContact CD1-CG2 4.21Å; F313-V317 HydrophobicContact CD2-CG2 4.05Å; F313-V317 HydrophobicContact CE1-CB 3.82Å; F313-V317 HydrophobicContact CE1-CG1 4.01Å; F313-V317 HydrophobicContact CE1-CG2 3.91Å; F313-V317 HydrophobicContact CE2-CB 4.49Å; F313-V317 HydrophobicContact CE2-CG2 3.69Å; F313-V317 HydrophobicContact CG-CG2 4.29Å; F313-V317 HydrophobicContact CZ-CB 3.98Å; F313-V317 HydrophobicContact CZ-CG1 4.01Å; F313-V317 HydrophobicContact CZ-CG2 3.64Å; F313-V317 WeakPolarHBondContact O-CB 3.47Å; F313-V317 PolarHBondContact O-N 3.13Å; V317-R320 PolarHBondContact O-N 3.02Å; V317-R320 VanDerWaalsContact O-N 3.08Å; V317-L321 HydrophobicContact CG1-CB 4.1Å; V317-L321 WeakPolarHBondContact O-CB 3.13Å; V317-L321 PolarHBondContact O-N 3.3Å
318G94.9Very high93.1Very high0 Ų046.8 Ų46.80%022%0.216CC..Hα-helixtrans-49.8-54.9-175.200000114.6H250 Y288 D314 R320 T322H250-G318 VanDerWaalsContact CG-C 3.44Å; Y288-G318 VanDerWaalsContact OH-CA 3.23Å; Y288-G318 WeakPolarHBondContact OH-CA 3.36Å; D314-G318 WeakPolarHBondContact O-CA 3.44Å; D314-G318 PolarHBondContact O-N 3.3Å; G318-R320 PolarHBondContact O-N 3.43Å; G318-T322 WeakPolarHBondContact O-CB 3.18Å; G318-T322 PolarHBondContact O-N 2.78Å; G318-T322 VanDerWaalsContact O-N 3.13Å; G318-T322 PolarHBondContact O-OG1 3.36Å
319P94.6Very high92.8Very high49 Ų4941.5 Ų41.532%0.31820%0.199SC..Hα-helixtrans-62.7-41.7177.3-21.531.8000113.2H250 L323H250-P319 HydrophobicContact CB-CB 4.46Å; H250-P319 HydrophobicContact CB-CG 4.34Å; H250-P319 VanDerWaalsContact CD2-CD 3.44Å; H250-P319 WeakPolarHBondContact CD2-CD 3.43Å; P319-L323 WeakPolarHBondContact O-CG 3.16Å; P319-L323 PolarHBondContact O-N 2.81Å; P319-L323 VanDerWaalsContact O-N 3.14Å
320R94.9Very high92.2Very high92 Ų9244.5 Ų44.535%0.34722%0.223SC..Hα-helixtrans-70.4-42.9-175-68.2178.7172.487.24.3111.7L188 M316 V317 G318 T322 L324L188-R320 HydrophobicContact CD1-CB 3.96Å; M316-R320 WeakPolarHBondContact O-CD 3.33Å; M316-R320 PolarHBondContact O-NH1 3.49Å; V317-R320 PolarHBondContact O-N 3.02Å; V317-R320 VanDerWaalsContact O-N 3.08Å; G318-R320 PolarHBondContact O-N 3.43Å; R320-T322 VanDerWaalsContact C-N 3.35Å; R320-L324 VanDerWaalsContact O-CB 3.31Å; R320-L324 WeakPolarHBondContact O-CB 3.43Å; R320-L324 PolarHBondContact O-N 3.29Å
321L95Very high91.1Very high0 Ų046.4 Ų46.40%023%0.233CC..Hα-helixtrans-67.4-38.4178.4-170.864.7000111L188 F204 Y288 A290 A293 L295 V317 L324 A325L188-L321 HydrophobicContact CD2-CD1 4.28Å; F204-L321 HydrophobicContact CD2-CD1 4.44Å; F204-L321 HydrophobicContact CE2-CD1 3.4Å; F204-L321 HydrophobicContact CZ-CD1 3.89Å; Y288-L321 HydrophobicContact CD1-CD2 3.64Å; Y288-L321 HydrophobicContact CE1-CD2 4.07Å; A290-L321 HydrophobicContact CB-CB 4.05Å; A290-L321 HydrophobicContact CB-CD2 3.81Å; A290-L321 HydrophobicContact CB-CG 3.76Å; A293-L321 HydrophobicContact CB-CD1 3.94Å; A293-L321 HydrophobicContact CB-CG 4.26Å; L295-L321 HydrophobicContact CB-CD2 4.32Å; V317-L321 HydrophobicContact CG1-CB 4.1Å; V317-L321 WeakPolarHBondContact O-CB 3.13Å; V317-L321 PolarHBondContact O-N 3.3Å; L321-L324 PolarHBondContact O-N 2.62Å; L321-A325 VanDerWaalsContact O-CB 3.28Å; L321-A325 WeakPolarHBondContact O-CB 3.48Å; L321-A325 PolarHBondContact O-N 2.72Å
322T93.9Very high89.4Confident10 Ų1047.6 Ų47.66%0.06124%0.236CC..Hα-helixtrans-60.4-52175.7-55.70000110.8L251 L291 G318 R320 L324 A325 E326L251-T322 HydrophobicContact CB-CG2 4.07Å; L251-T322 HydrophobicContact CD1-CG2 4.3Å; L251-T322 HydrophobicContact CG-CG2 4.28Å; L251-T322 PolarHBondContact N-OG1 2.88Å; L291-T322 HydrophobicContact CD1-CG2 4.27Å; G318-T322 WeakPolarHBondContact O-CB 3.18Å; G318-T322 PolarHBondContact O-N 2.78Å; G318-T322 VanDerWaalsContact O-N 3.13Å; G318-T322 PolarHBondContact O-OG1 3.36Å; R320-T322 VanDerWaalsContact C-N 3.35Å; T322-L324 VanDerWaalsContact C-N 3.29Å; T322-L324 PolarHBondContact O-N 3.44Å; T322-A325 PolarHBondContact O-N 2.95Å; T322-E326 WeakPolarHBondContact O-CG 3.23Å; T322-E326 PolarHBondContact O-N 3.41Å
323L92.9Very high86.9Confident117 Ų11750.1 Ų50.161%0.61326%0.258SS*.Hα-helixtrans-60-39.4177.9-71.4172.1000112.5P319 R327P319-L323 WeakPolarHBondContact O-CG 3.16Å; P319-L323 PolarHBondContact O-N 2.81Å; P319-L323 VanDerWaalsContact O-N 3.14Å; L323-R327 WeakPolarHBondContact O-CB 3.35Å; L323-R327 PolarHBondContact O-N 2.95Å
324L92.1Very high84.1Confident19 Ų1952.7 Ų52.710%0.09928%0.275CS..Hα-helixtrans-68.5-40.3178.8-168143.4000111.3R184 I185 F204 R320 L321 T322 R327 L328R184-L324 HydrophobicContact CB-CD1 4.03Å; I185-L324 HydrophobicContact CD1-CD2 4.25Å; I185-L324 HydrophobicContact CG1-CD1 3.84Å; I185-L324 HydrophobicContact CG1-CD2 3.67Å; I185-L324 HydrophobicContact CG1-CG 4.3Å; F204-L324 HydrophobicContact CE1-CD2 4.26Å; F204-L324 HydrophobicContact CE2-CD2 4.03Å; F204-L324 HydrophobicContact CZ-CD2 3.45Å; F204-L324 VanDerWaalsContact CZ-CD2 3.45Å; R320-L324 VanDerWaalsContact O-CB 3.31Å; R320-L324 WeakPolarHBondContact O-CB 3.43Å; R320-L324 PolarHBondContact O-N 3.29Å; L321-L324 PolarHBondContact O-N 2.62Å; T322-L324 VanDerWaalsContact C-N 3.29Å; T322-L324 PolarHBondContact O-N 3.44Å; L324-R327 PolarHBondContact O-N 3.2Å; L324-L328 HydrophobicContact CD2-CD1 3.55Å; L324-L328 HydrophobicContact CD2-CG 4.05Å; L324-L328 WeakPolarHBondContact O-CG 3.22Å; L324-L328 PolarHBondContact O-N 3.1Å
325A90.8Very high81.3Confident2 Ų253.7 Ų53.72%0.01728%0.284CS..Hα-helixtrans-65.7-41177.400000112.8F206 A290 L291 A293 L321 T322 R327 L328 A329F206-A325 HydrophobicContact CE2-CB 4.38Å; A290-A325 WeakPolarHBondContact O-CB 3.14Å; L291-A325 HydrophobicContact CB-CB 3.98Å; L291-A325 HydrophobicContact CD1-CB 4.13Å; A293-A325 HydrophobicContact CB-CB 3.66Å; L321-A325 VanDerWaalsContact O-CB 3.28Å; L321-A325 WeakPolarHBondContact O-CB 3.48Å; L321-A325 PolarHBondContact O-N 2.72Å; T322-A325 PolarHBondContact O-N 2.95Å; A325-R327 VanDerWaalsContact C-N 3.33Å; A325-R327 PolarHBondContact O-N 2.83Å; A325-L328 PolarHBondContact O-N 3.08Å; A325-A329 WeakPolarHBondContact O-CB 3.49Å; A325-A329 PolarHBondContact O-N 2.99Å
326E90.3Very high78.9Confident100 Ų10050.8 Ų50.847%0.46728%0.276SS..Hα-helixtrans-61.1-43174.6-71.5178.2164.200111.6L291 T322 A329 S330L291-E326 HydrophobicContact CD1-CG 3.42Å; L291-E326 VanDerWaalsContact CD1-CG 3.42Å; T322-E326 WeakPolarHBondContact O-CG 3.23Å; T322-E326 PolarHBondContact O-N 3.41Å; E326-A329 WeakPolarHBondContact O-CB 3.37Å; E326-A329 PolarHBondContact O-N 2.92Å; E326-S330 PolarHBondContact O-N 2.91Å
327R89.5Confident76.2Confident97 Ų9753 Ų5337%0.36629%0.287SS..Hα-helixtrans-65.5-45178-175.7-178.1-18094.710.5112.5D181 L323 L324 A325 A329 S330 N331D181-R327 WeakPolarHBondContact OD1-CD 3.41Å; D181-R327 IonicContact OD1-CZ 3.8Å; D181-R327 IonicContact OD1-NE 2.82Å; D181-R327 PolarHBondContact OD1-NE 2.76Å; D181-R327 IonicContact OD1-NH2 3.93Å; L323-R327 WeakPolarHBondContact O-CB 3.35Å; L323-R327 PolarHBondContact O-N 2.95Å; L324-R327 PolarHBondContact O-N 3.2Å; A325-R327 VanDerWaalsContact C-N 3.33Å; A325-R327 PolarHBondContact O-N 2.83Å; R327-A329 PolarHBondContact O-N 2.87Å; R327-S330 PolarHBondContact O-N 3.23Å; R327-S330 VanDerWaalsContact O-N 3.16Å; R327-S330 PolarHBondContact O-OG 3.03Å; R327-N331 PolarHBondContact O-N 2.76Å
328L87.1Confident72.9Confident5 Ų559.1 Ų59.13%0.02632%0.319CS..Hα-helixtrans-60.1-37.9175.3-73.4178.2000111I177 D181 I185 F204 F206 I211 L324 A325 Q332I177-L328 HydrophobicContact CG2-CD2 4.31Å; D181-L328 HydrophobicContact CB-CD2 3.92Å; I185-L328 HydrophobicContact CD1-CD1 4.21Å; F204-L328 HydrophobicContact CE1-CD1 4.04Å; F204-L328 HydrophobicContact CZ-CD1 4.3Å; F206-L328 HydrophobicContact CB-CD1 4.32Å; F206-L328 HydrophobicContact CD2-CB 3.97Å; F206-L328 HydrophobicContact CD2-CD1 3.56Å; F206-L328 HydrophobicContact CD2-CG 4.45Å; F206-L328 HydrophobicContact CE1-CB 4.29Å; F206-L328 HydrophobicContact CE2-CB 3.58Å; F206-L328 HydrophobicContact CE2-CD1 4.03Å; F206-L328 HydrophobicContact CE2-CG 4.48Å; F206-L328 HydrophobicContact CG-CB 4.45Å; F206-L328 HydrophobicContact CG-CD1 3.97Å; F206-L328 HydrophobicContact CZ-CB 3.75Å; I211-L328 HydrophobicContact CD1-CD1 4.14Å; L324-L328 HydrophobicContact CD2-CD1 3.55Å; L324-L328 HydrophobicContact CD2-CG 4.05Å; L324-L328 WeakPolarHBondContact O-CG 3.22Å; L324-L328 PolarHBondContact O-N 3.1Å; A325-L328 PolarHBondContact O-N 3.08Å; L328-Q332 VanDerWaalsContact O-CG 3.3Å; L328-Q332 WeakPolarHBondContact O-CG 3.33Å; L328-Q332 PolarHBondContact O-N 3.31Å
329A85.2Confident69.8Low47 Ų4761.9 Ų61.939%0.38835%0.347SS..Hα-helixtrans-67.4-36.1175.600000112.8F206 A325 E326 R327F206-A329 HydrophobicContact CZ-CB 4.23Å; A325-A329 WeakPolarHBondContact O-CB 3.49Å; A325-A329 PolarHBondContact O-N 2.99Å; E326-A329 WeakPolarHBondContact O-CB 3.37Å; E326-A329 PolarHBondContact O-N 2.92Å; R327-A329 PolarHBondContact O-N 2.87Å
330S80.3Confident66.5Low84 Ų8464.6 Ų64.659%0.58737%0.368SS*.Hα-helixtrans-73-30178.665.40000113.7E326 R327E326-S330 PolarHBondContact O-N 2.91Å; R327-S330 PolarHBondContact O-N 3.23Å; R327-S330 VanDerWaalsContact O-N 3.16Å; R327-S330 PolarHBondContact O-OG 3.03Å
331N69.9Low63.3Low41 Ų4165.4 Ų65.422%0.21938%0.378CS..Hα-helixtrans-86.9-9.4-174.6-68.9-2.6000113.5D181 R327 T333D181-N331 PolarHBondContact OD2-ND2 3.49Å; R327-N331 PolarHBondContact O-N 2.76Å; N331-T333 PolarHBondContact O-N 2.78Å
332Q57.4Low60.1Low61 Ų6174.1 Ų74.129%0.28542%0.416SS..THydrogen-bonded Turntrans-7533.4-172.3-89.6-179.426.500116.5I175 E207 L328 C334I175-Q332 HydrophobicContact CD1-CG 4.49Å; E207-Q332 PolarHBondContact OE2-OE1 2.85Å; L328-Q332 VanDerWaalsContact O-CG 3.3Å; L328-Q332 WeakPolarHBondContact O-CG 3.33Å; L328-Q332 PolarHBondContact O-N 3.31Å; Q332-C334 PolarHBondContact O-N 2.73Å
333T41.6Very low56.7Low135 Ų13579.9 Ų79.983%0.82845%0.453SS*.THydrogen-bonded Turntrans-70.8-4.315549.90000112.6N331 S335N331-T333 PolarHBondContact O-N 2.78Å; T333-S335 PolarHBondContact O-N 3.37Å; T333-S335 VanDerWaalsContact O-N 3.08Å
334C36Very low53.5Low55 Ų5580.2 Ų80.237%0.37246%0.455SS..  trans-68.5105.7-179.5-64.50000112Q332Q332-C334 PolarHBondContact O-N 2.73Å
335S37.7Very low50.3Low45 Ų4588.8 Ų88.832%0.31550%0.495SS..  trans-50.3144.2163.784.20000109.9T333 M337T333-S335 PolarHBondContact O-N 3.37Å; T333-S335 VanDerWaalsContact O-N 3.08Å; S335-M337 PolarHBondContact O-N 2.94Å; S335-M337 PolarHBondContact OG-N 2.78Å
336F42.5Very low47.2Very low92 Ų9294.4 Ų94.440%0.40452%0.523SS..THydrogen-bonded Turntrans-60.22.7176-74.2-96.2000114.1R209 M404R209-F336 VanDerWaalsContact NH1-CE1 3.27Å; F336-M404 HydrophobicContact CB-SD 4.45Å; F336-M404 HydrophobicContact CD1-SD 4.48Å
337M37.2Very low44Very low62 Ų6298 Ų9831%0.30554%0.542SS..THydrogen-bonded Turntrans-107-2.1-160.8-60.7-144.515000116.3S335 G339 T491S335-M337 PolarHBondContact O-N 2.94Å; S335-M337 PolarHBondContact OG-N 2.78Å; M337-G339 PolarHBondContact O-N 3.02Å; M337-T491 HydrophobicContact CE-CG2 3.23Å; M337-T491 VanDerWaalsContact CE-OG1 3.3Å; M337-T491 WeakPolarHBondContact CE-OG1 2.88Å
338D27.8Very low40.9Very low129 Ų129101.5 Ų101.569%0.6956%0.563SS**  trans-78.581.7174.5-78.3-24.7000110.4S340D338-S340 PolarHBondContact O-N 3.05Å; D338-S340 VanDerWaalsContact O-N 3.11Å
339G29.2Very low38.1Very low57 Ų57104.2 Ų104.259%0.58858%0.582SS**  trans-62.1101.3174.100000111.4M337M337-G339 PolarHBondContact O-N 3.02Å
340S25.7Very low35.4Very low107 Ų107108.8 Ų108.875%0.74861%0.605SS**  trans-128.978.5158.565.50000109D338D338-S340 PolarHBondContact O-N 3.05Å; D338-S340 VanDerWaalsContact O-N 3.11Å
341I27.9Very low33.2Very low109 Ų109110.3 Ų110.356%0.55960%0.599SS**  trans-118.2113.2165.8-58.4-176.4000107.5L495I341-L495 HydrophobicContact CD1-CD2 4.21Å
342F26.5Very low31.2Very low183 Ų183115.5 Ų115.580%0.80363%0.626SS**  trans10.3134.4172.7-66.8-85.5000120.6L344F342-L344 PolarHBondContact O-N 3.41Å
343P23.8Very low30Very low130 Ų130119.7 Ų119.784%0.84466%0.655SS**PPolyproline II helixtrans-67.2129.3177.9-4.519.5000111.4
344L25.2Very low29.5Very low124 Ų124118.6 Ų118.665%0.64965%0.645SS**PPolyproline II helixtrans-101.6143.1174.2-76.7169.3000111.2F342F342-L344 PolarHBondContact O-N 3.41Å
345H24.6Very low29.5Very low200 Ų200121.9 Ų121.993%0.92667%0.668SS**PPolyproline II helixtrans-85.3137.8177.8-121.6-86.3000111.4
346L26.2Very low30Very low119 Ų119125.5 Ų125.562%0.62368%0.68SS**PPolyproline II helixtrans-76.1142-166.4-15387.5000113.8E348L346-E348 HydrophobicContact CD2-CG 4.28Å
347M22.5Very low30.3Very low175 Ų175127.6 Ų127.686%0.86270%0.7SS**  trans-147.1125.7145.6-79.2-111.285.700108.2
348E25.6Very low31.2Very low172 Ų172126.7 Ų126.780%0.80470%0.696SS**  trans-80.4144.6-179.2-68.3168169.200111.3L346L346-E348 HydrophobicContact CD2-CG 4.28Å
349S27.3Very low32.4Very low61 Ų61124.1 Ų124.143%0.42769%0.687SS.*  trans-153.1136.2154.766.50000113W442S349-W442 WeakPolarHBondContact OG-CZ2 3.3Å
350T28.3Very low33.6Very low143 Ų143122.5 Ų122.588%0.87767%0.666SS**  trans-73.9134.7175.549.60000110.9
351R33.4Very low34.9Very low117 Ų117118.7 Ų118.744%0.44264%0.637SS.*  trans-127.2139.2175.3-77.7-172.5177.3-150.611.2113.1S441 H443R351-S441 PolarHBondContact NH1-OG 2.86Å; R351-S441 PolarHBondContact NH2-OG 2.55Å; R351-H443 PolarHBondContact NH1-O 3.46Å; R351-H443 PolarHBondContact NH2-O 2.54Å
352D28.4Very low36Very low150 Ų150119.1 Ų119.180%0.80264%0.644SS**  trans-79132172-66.8-51.6000111.2N354D352-N354 PolarHBondContact O-N 3.39Å
353V32.5Very low37Very low148 Ų148116.5 Ų116.590%0.89764%0.639SS**  trans-77102.4176.2179.70000108.8
354N31.5Very low37.9Very low113 Ų113112.3 Ų112.360%0.60461%0.609SS**  trans-105.5124.3172.4-73.6-29.3000110.6D352 H356D352-N354 PolarHBondContact O-N 3.39Å; N354-H356 VanDerWaalsContact CB-NE2 3.34Å; N354-H356 WeakPolarHBondContact CB-NE2 3.22Å; N354-H356 PolarHBondContact O-CD2 3.28Å; N354-H356 PolarHBondContact O-N 3.26Å
355S36.7Very low38.8Very low124 Ų124109.7 Ų109.787%0.86760%0.598SS**  trans-73.2116.1167.750.40000109.2
356H47Very low39.8Very low120 Ų120103.3 Ų103.356%0.55657%0.57SS**  trans-113.6143.3175.2-66.5-65.4000110.1N354 L358N354-H356 VanDerWaalsContact CB-NE2 3.34Å; N354-H356 WeakPolarHBondContact CB-NE2 3.22Å; N354-H356 PolarHBondContact O-CD2 3.28Å; N354-H356 PolarHBondContact O-N 3.26Å; H356-L358 PolarHBondContact O-N 2.88Å
357T49.3Very low40.8Very low136 Ų136103 Ų10383%0.83457%0.569SS**  trans-64.7120.3163.744.90000108.8P359T357-P359 WeakPolarHBondContact O-CD 3.45Å
358L55Low42Very low43 Ų43100.6 Ų100.623%0.22556%0.556CS.*  trans-92.9100.9-177.3-62.2152.6000108.4H356 T360 L361 E434 I446H356-L358 PolarHBondContact O-N 2.88Å; L358-T360 VanDerWaalsContact C-N 3.3Å; L358-T360 PolarHBondContact O-N 3.27Å; L358-L361 HydrophobicContact CB-CB 4.22Å; L358-L361 HydrophobicContact CB-CD1 3.62Å; L358-L361 HydrophobicContact CB-CG 4.16Å; L358-L361 HydrophobicContact CD1-CD1 3.43Å; L358-L361 VanDerWaalsContact CD1-CD1 3.43Å; L358-L361 HydrophobicContact CG-CD1 4.03Å; L358-L361 PolarHBondContact O-N 2.83Å; L358-E434 HydrophobicContact CB-CG 4.33Å; L358-E434 HydrophobicContact CD2-CG 3.47Å; L358-E434 VanDerWaalsContact CD2-CG 3.47Å; L358-E434 WeakPolarHBondContact CD2-OE1 3.27Å; L358-E434 HydrophobicContact CG-CG 4.48Å; L358-I446 HydrophobicContact CD1-CG2 3.72Å; L358-I446 HydrophobicContact CD2-CD1 4.05Å; L358-I446 HydrophobicContact CD2-CG1 4.44Å; L358-I446 HydrophobicContact CD2-CG2 4.16Å
359P54.2Low43Very low76 Ų7698.3 Ų98.349%0.49455%0.549SS..G310 helixtrans-61.5-31.9-171.322.3-34000114T357 L361 E434 L437T357-P359 WeakPolarHBondContact O-CD 3.45Å; P359-L361 VanDerWaalsContact C-N 3.35Å; P359-E434 VanDerWaalsContact CD-OE2 3.25Å; P359-E434 WeakPolarHBondContact CD-OE2 3.42Å; P359-L437 HydrophobicContact CG-CD1 3.78Å
360T54.6Low44.1Very low23 Ų2397 Ų9714%0.14155%0.545CS..G310 helixtrans-74.4-27.4-178.265.70000112.6L358 V362 N430 E433 E434 L437L358-T360 VanDerWaalsContact C-N 3.3Å; L358-T360 PolarHBondContact O-N 3.27Å; T360-V362 VanDerWaalsContact C-N 3.35Å; T360-V362 PolarHBondContact O-N 3.01Å; T360-N430 PolarHBondContact O-OD1 3.16Å; T360-N430 PolarHBondContact OG1-O 3.29Å; T360-E433 HydrophobicContact CG2-CB 3.85Å; T360-E434 HydrophobicContact CG2-CB 4.46Å; T360-E434 WeakPolarHBondContact CG2-OE2 3.45Å; T360-E434 PolarHBondContact N-OE2 2.84Å; T360-E434 WeakPolarHBondContact OG1-CB 3.19Å; T360-E434 PolarHBondContact OG1-OE2 2.93Å; T360-E434 VanDerWaalsContact OG1-OE2 3.09Å; T360-L437 HydrophobicContact CG2-CD1 4.09Å
361L53.1Low45.1Very low27 Ų2790.4 Ų90.414%0.14150%0.504CS..G310 helixtrans-82-10.8-177-65.5169.6000113.6L358 P359 N363 L364 N430 L431 V448L358-L361 HydrophobicContact CB-CB 4.22Å; L358-L361 HydrophobicContact CB-CD1 3.62Å; L358-L361 HydrophobicContact CB-CG 4.16Å; L358-L361 HydrophobicContact CD1-CD1 3.43Å; L358-L361 VanDerWaalsContact CD1-CD1 3.43Å; L358-L361 HydrophobicContact CG-CD1 4.03Å; L358-L361 PolarHBondContact O-N 2.83Å; P359-L361 VanDerWaalsContact C-N 3.35Å; L361-N363 PolarHBondContact O-N 3.26Å; L361-N363 VanDerWaalsContact O-N 3.08Å; L361-L364 HydrophobicContact CD2-CD1 3.24Å; L361-L364 HydrophobicContact CD2-CG 4.13Å; L361-L364 HydrophobicContact CG-CD1 4.44Å; L361-L364 PolarHBondContact O-N 2.69Å; L361-N430 HydrophobicContact CD2-CB 3.93Å; L361-L431 HydrophobicContact CD1-CD2 3.92Å; L361-L431 HydrophobicContact CD2-CD2 3.98Å; L361-L431 HydrophobicContact CD2-CG 4.2Å; L361-L431 HydrophobicContact CG-CD2 4.45Å; L361-V448 HydrophobicContact CD1-CG2 3.57Å; L361-V448 HydrophobicContact CD2-CG2 4.45Å
362V51.3Low46Very low117 Ų11787.1 Ų87.171%0.70950%0.499SS*.G310 helixtrans-58.3-25.4179.8179.30000111.8T360T360-V362 VanDerWaalsContact C-N 3.35Å; T360-V362 PolarHBondContact O-N 3.01Å
363N46.9Very low47.1Very low128 Ų12884.6 Ų84.668%0.68449%0.486SS*.G310 helixtrans-95.74.3-178.9-65.7-19.4000114.3L361 T365L361-N363 PolarHBondContact O-N 3.26Å; L361-N363 VanDerWaalsContact O-N 3.08Å; N363-T365 PolarHBondContact O-N 3.1Å; N363-T365 VanDerWaalsContact O-N 3.1Å
364L43.4Very low48.1Very low42 Ų4277.8 Ų77.822%0.2245%0.445CS..  trans-76.696.7175.5-80.7-176.1000111.2L361 I366 A427 N430L361-L364 HydrophobicContact CD2-CD1 3.24Å; L361-L364 HydrophobicContact CD2-CG 4.13Å; L361-L364 HydrophobicContact CG-CD1 4.44Å; L361-L364 PolarHBondContact O-N 2.69Å; L364-I366 PolarHBondContact O-N 2.84Å; L364-A427 HydrophobicContact CD1-CB 4.04Å; L364-A427 HydrophobicContact CD2-CB 4.31Å; L364-N430 HydrophobicContact CD1-CB 4.39Å; L364-N430 HydrophobicContact CD2-CB 4.46Å; L364-N430 VanDerWaalsContact CD2-ND2 3.26Å; L364-N430 WeakPolarHBondContact CD2-ND2 3.31Å; L364-N430 HydrophobicContact CG-CB 4.38Å
365T43.6Very low49.3Very low70 Ų7073.2 Ų73.243%0.42942%0.421SS..  trans-80.4103.3164.825.60000110.3V103 N105 N363 N367V103-T365 HydrophobicContact CB-CG2 4.01Å; V103-T365 HydrophobicContact CG1-CG2 3.41Å; V103-T365 VanDerWaalsContact CG1-CG2 3.41Å; V103-T365 HydrophobicContact CG2-CG2 4.22Å; N105-T365 PolarHBondContact OD1-OG1 2.79Å; N363-T365 PolarHBondContact O-N 3.1Å; N363-T365 VanDerWaalsContact O-N 3.1Å; T365-N367 PolarHBondContact O-N 3.01Å
366I45.4Very low50.3Low65 Ų6573.8 Ų73.833%0.33341%0.41SS..  trans-79.3114.5173.8-64.1145.4000108.1L364 E368 I371 L450L364-I366 PolarHBondContact O-N 2.84Å; I366-E368 HydrophobicContact CG2-CG 4.09Å; I366-E368 PolarHBondContact O-N 3.35Å; I366-I371 HydrophobicContact CB-CD1 4.39Å; I366-I371 HydrophobicContact CG2-CD1 3.38Å; I366-I371 HydrophobicContact CG2-CG1 4.48Å; I366-L450 HydrophobicContact CD1-CD2 4.39Å; I366-L450 WeakPolarHBondContact CD1-O 3.37Å; I366-L450 HydrophobicContact CG1-CD2 4.12Å; I366-L450 WeakPolarHBondContact CG2-O 3.47Å
367N47.3Very low50.7Low114 Ų11470.5 Ų70.561%0.6140%0.396SS*.  trans-83.792.5164.5-1701.6000108.7T365 D369 G370 I371T365-N367 PolarHBondContact O-N 3.01Å; N367-D369 PolarHBondContact O-N 3.29Å; N367-G370 PolarHBondContact O-N 3.36Å; N367-I371 PolarHBondContact O-N 2.84Å
368E46.9Very low51.1Low123 Ų12364.4 Ų64.458%0.57536%0.358SS*.Hα-helixtrans-52.5-39.2-174.8-69.1-170.5153.100112.9I366 G370 I371 S372 D451I366-E368 HydrophobicContact CG2-CG 4.09Å; I366-E368 PolarHBondContact O-N 3.35Å; E368-G370 VanDerWaalsContact C-N 3.32Å; E368-G370 PolarHBondContact O-N 3.41Å; E368-I371 PolarHBondContact O-N 3.22Å; E368-S372 PolarHBondContact O-N 2.86Å; E368-S372 VanDerWaalsContact O-N 3.17Å; E368-S372 PolarHBondContact O-OG 2.83Å; E368-D451 HydrophobicContact CG-CB 4.4Å
369D46.2Very low51.1Low124 Ų12467.5 Ų67.566%0.66338%0.375SS*.Hα-helixtrans-65.2-34.6177.7-71.9-22.8000112.4N367 N373N367-D369 PolarHBondContact O-N 3.29Å; D369-N373 PolarHBondContact O-ND2 3.46Å
370G50.2Low50.6Low33 Ų3372.4 Ų72.434%0.3439%0.385SS..Hα-helixtrans-73.1-34.5179.300000112.8N367 E368 A374N367-G370 PolarHBondContact O-N 3.36Å; E368-G370 VanDerWaalsContact C-N 3.32Å; E368-G370 PolarHBondContact O-N 3.41Å; G370-A374 WeakPolarHBondContact O-CB 3.04Å; G370-A374 PolarHBondContact O-N 3.33Å; G370-A374 VanDerWaalsContact O-N 3.14Å
371I51Low50.2Low5 Ų574.5 Ų74.53%0.02640%0.395CS..Hα-helixtrans-77.7-40.3-177.5-55.3-178.5000110.7I366 N367 E368 N373 A374 I375 L450 D451 C454I366-I371 HydrophobicContact CB-CD1 4.39Å; I366-I371 HydrophobicContact CG2-CD1 3.38Å; I366-I371 HydrophobicContact CG2-CG1 4.48Å; N367-I371 PolarHBondContact O-N 2.84Å; E368-I371 PolarHBondContact O-N 3.22Å; I371-N373 VanDerWaalsContact C-N 3.31Å; I371-N373 PolarHBondContact O-N 3.47Å; I371-A374 CarbonylContact O-C 3.57Å; I371-A374 WeakPolarHBondContact O-CA 3.38Å; I371-A374 WeakPolarHBondContact O-CB 3.46Å; I371-A374 PolarHBondContact O-N 3.48Å; I371-I375 HydrophobicContact CG2-CD1 4Å; I371-I375 HydrophobicContact CG2-CG1 4.22Å; I371-I375 VanDerWaalsContact O-CG1 3.26Å; I371-I375 WeakPolarHBondContact O-CG1 3.47Å; I371-I375 PolarHBondContact O-N 2.84Å; I371-L450 HydrophobicContact CD1-CB 3.9Å; I371-L450 HydrophobicContact CD1-CD1 4.34Å; I371-D451 VanDerWaalsContact CB-OD2 3.32Å; I371-D451 WeakPolarHBondContact CB-OD2 3.43Å; I371-D451 WeakPolarHBondContact CG2-OD2 3.21Å; I371-C454 HydrophobicContact CG2-CB 4.23Å
372S51.2Low49.3Very low48 Ų4880.2 Ų80.234%0.33643%0.426SS..Hα-helixtrans-56.1-45.3175.6-63.90000112E368 I375 E376E368-S372 PolarHBondContact O-N 2.86Å; E368-S372 VanDerWaalsContact O-N 3.17Å; E368-S372 PolarHBondContact O-OG 2.83Å; S372-I375 PolarHBondContact O-N 2.88Å; S372-E376 PolarHBondContact O-N 3.08Å; S372-E376 VanDerWaalsContact O-N 3.13Å
373N51.9Low48.5Very low98 Ų9876.4 Ų76.452%0.52440%0.404SS..Hα-helixtrans-65.5-38.8174.8-72.1-52.2000112.5D369 I371 I375 E376 D377D369-N373 PolarHBondContact O-ND2 3.46Å; I371-N373 VanDerWaalsContact C-N 3.31Å; I371-N373 PolarHBondContact O-N 3.47Å; N373-I375 VanDerWaalsContact C-N 3.31Å; N373-I375 PolarHBondContact O-N 3.04Å; N373-E376 PolarHBondContact O-N 3.37Å; N373-D377 PolarHBondContact O-N 3.11Å
374A54.4Low47.9Very low5 Ų576.5 Ų76.54%0.04141%0.412CS..Hα-helixtrans-63.7-36175.200000112.6G370 I371 D377 L378 G420G370-A374 WeakPolarHBondContact O-CB 3.04Å; G370-A374 PolarHBondContact O-N 3.33Å; G370-A374 VanDerWaalsContact O-N 3.14Å; I371-A374 CarbonylContact O-C 3.57Å; I371-A374 WeakPolarHBondContact O-CA 3.38Å; I371-A374 WeakPolarHBondContact O-CB 3.46Å; I371-A374 PolarHBondContact O-N 3.48Å; A374-D377 PolarHBondContact O-N 2.98Å; A374-L378 WeakPolarHBondContact O-CB 3.44Å; A374-L378 WeakPolarHBondContact O-CD1 3.07Å; A374-L378 WeakPolarHBondContact O-CG 3.46Å; A374-L378 PolarHBondContact O-N 3.24Å; A374-G420 VanDerWaalsContact CB-CA 3.44Å; A374-G420 WeakPolarHBondContact CB-O 3.43Å
375I56.2Low47.6Very low17 Ų1777.9 Ų77.99%0.08742%0.419CS..Hα-helixtrans-67.3-43.8176.5-67.1163.4000110.8I371 S372 N373 D377 L378 N379 C454 T471I371-I375 HydrophobicContact CG2-CD1 4Å; I371-I375 HydrophobicContact CG2-CG1 4.22Å; I371-I375 VanDerWaalsContact O-CG1 3.26Å; I371-I375 WeakPolarHBondContact O-CG1 3.47Å; I371-I375 PolarHBondContact O-N 2.84Å; S372-I375 PolarHBondContact O-N 2.88Å; N373-I375 VanDerWaalsContact C-N 3.31Å; N373-I375 PolarHBondContact O-N 3.04Å; I375-D377 VanDerWaalsContact C-N 3.34Å; I375-L378 PolarHBondContact O-N 2.97Å; I375-N379 WeakPolarHBondContact O-CB 3.41Å; I375-N379 VanDerWaalsContact O-CG 3.31Å; I375-N379 PolarHBondContact O-N 3.12Å; I375-N379 PolarHBondContact O-ND2 3.2Å; I375-C454 HydrophobicContact CD1-CB 3.72Å; I375-C454 HydrophobicContact CG1-CB 4.43Å; I375-T471 HydrophobicContact CG1-CG2 4.4Å; I375-T471 HydrophobicContact CG2-CG2 3.62Å
376E56.5Low47.1Very low136 Ų13677.8 Ų77.864%0.63642%0.421SS*.Hα-helixtrans-59.1-46.8174.3-73-170.6171.200110.9S372 N373 L378 N379 Y380S372-E376 PolarHBondContact O-N 3.08Å; S372-E376 VanDerWaalsContact O-N 3.13Å; N373-E376 PolarHBondContact O-N 3.37Å; E376-L378 VanDerWaalsContact C-N 3.34Å; E376-L378 PolarHBondContact O-N 3.36Å; E376-N379 PolarHBondContact O-N 2.9Å; E376-Y380 WeakPolarHBondContact O-CB 3.24Å; E376-Y380 PolarHBondContact O-N 2.64Å
377D56.5Low46.7Very low51 Ų5179.4 Ų79.427%0.27344%0.438SS..Hα-helixtrans-60.7-39.1175.3-82.1-30.8000112.5N373 A374 I375 N379 Y380 K419N373-D377 PolarHBondContact O-N 3.11Å; A374-D377 PolarHBondContact O-N 2.98Å; I375-D377 VanDerWaalsContact C-N 3.34Å; D377-N379 VanDerWaalsContact C-N 3.35Å; D377-Y380 PolarHBondContact O-N 3.27Å; D377-K419 IonicContact OD1-NZ 2.89Å; D377-K419 PolarHBondContact OD1-NZ 3.19Å; D377-K419 WeakPolarHBondContact OD2-CD 3.38Å; D377-K419 VanDerWaalsContact OD2-CE 3.24Å; D377-K419 WeakPolarHBondContact OD2-CE 3.41Å; D377-K419 IonicContact OD2-NZ 2.73Å; D377-K419 PolarHBondContact OD2-NZ 3.4Å
378L56.7Low46.1Very low7 Ų778.2 Ų78.24%0.03743%0.431CS..Hα-helixtrans-67.7-32.9178-81.5162.5000112.9A374 I375 E376 R392 L407 I418 I424A374-L378 WeakPolarHBondContact O-CB 3.44Å; A374-L378 WeakPolarHBondContact O-CD1 3.07Å; A374-L378 WeakPolarHBondContact O-CG 3.46Å; A374-L378 PolarHBondContact O-N 3.24Å; I375-L378 PolarHBondContact O-N 2.97Å; E376-L378 VanDerWaalsContact C-N 3.34Å; E376-L378 PolarHBondContact O-N 3.36Å; L378-R392 PolarHBondContact O-NH2 3.16Å; L378-L407 HydrophobicContact CD2-CD2 4.03Å; L378-I418 HydrophobicContact CD2-CB 4.35Å; L378-I418 HydrophobicContact CD2-CG2 3.77Å; L378-I424 HydrophobicContact CD1-CD1 3.52Å
379N55.2Low45.9Very low109 Ų10975.7 Ų75.758%0.58342%0.417SS*.Hα-helixtrans-80-27.6176.3-70.2-27000112.1I375 E376 D377 I381I375-N379 WeakPolarHBondContact O-CB 3.41Å; I375-N379 VanDerWaalsContact O-CG 3.31Å; I375-N379 PolarHBondContact O-N 3.12Å; I375-N379 PolarHBondContact O-ND2 3.2Å; E376-N379 PolarHBondContact O-N 2.9Å; D377-N379 VanDerWaalsContact C-N 3.35Å; N379-I381 VanDerWaalsContact C-N 3.29Å; N379-I381 PolarHBondContact O-N 2.74Å
380Y45.2Very low46.2Very low179 Ų17973.8 Ų73.870%0.70241%0.413SS*.  trans-77.5-0.9-173.9-165.5-96.8000115.1E376 D377 D382E376-Y380 WeakPolarHBondContact O-CB 3.24Å; E376-Y380 PolarHBondContact O-N 2.64Å; D377-Y380 PolarHBondContact O-N 3.27Å; Y380-D382 PolarHBondContact O-N 3.14Å
381I45.1Very low47Very low66 Ų6673.7 Ų73.734%0.33841%0.405SS..  trans-72.797.7179.7-62167000110.4N379 S383 I418N379-I381 VanDerWaalsContact C-N 3.29Å; N379-I381 PolarHBondContact O-N 2.74Å; I381-S383 PolarHBondContact O-N 2.8Å; I381-I418 HydrophobicContact CD1-CB 4.42Å; I381-I418 HydrophobicContact CD1-CD1 3.95Å; I381-I418 HydrophobicContact CD1-CG1 4.2Å; I381-I418 HydrophobicContact CD1-CG2 3.38Å
382D33.3Very low48.5Very low148 Ų14875.4 Ų75.479%0.79141%0.411SS*.  trans-62.353.4165.9-83.8-27.5000112.2Y380Y380-D382 PolarHBondContact O-N 3.14Å
383S35.2Very low50.3Low37 Ų3773.3 Ų73.326%0.25940%0.396SS..  trans-80.7136.1164-179.80000108I381 L385 S386I381-S383 PolarHBondContact O-N 2.8Å; S383-L385 PolarHBondContact O-N 3.38Å; S383-L385 PolarHBondContact OG-N 3.44Å; S383-S386 VanDerWaalsContact O-CB 3.29Å; S383-S386 WeakPolarHBondContact O-CB 3.25Å; S383-S386 PolarHBondContact O-N 3.2Å; S383-S386 PolarHBondContact O-OG 3.4Å
384P34.9Very low52.2Low130 Ų13068.7 Ų68.784%0.84437%0.371SS*.THydrogen-bonded Turntrans-58.6-5.1170.722.2-31.1000113.5
385L36.1Very low53.9Low70 Ų7068.9 Ų68.937%0.36637%0.371SS..THydrogen-bonded Turntrans-102.17.8173.9-62.4154.1000113.1S383 S387 L388 Y389S383-L385 PolarHBondContact O-N 3.38Å; S383-L385 PolarHBondContact OG-N 3.44Å; L385-S387 PolarHBondContact O-N 2.94Å; L385-L388 HydrophobicContact CD2-CD1 4.1Å; L385-L388 CarbonylContact O-C 3.55Å; L385-L388 WeakPolarHBondContact O-CA 3.3Å; L385-L388 WeakPolarHBondContact O-CB 3.27Å; L385-L388 PolarHBondContact O-N 3.32Å; L385-Y389 HydrophobicContact CB-CD2 3.28Å; L385-Y389 HydrophobicContact CB-CE2 3.08Å; L385-Y389 HydrophobicContact CB-CG 4.41Å; L385-Y389 HydrophobicContact CD1-CE2 3.51Å; L385-Y389 HydrophobicContact CD2-CE2 4.35Å; L385-Y389 HydrophobicContact CG-CD2 4.44Å; L385-Y389 HydrophobicContact CG-CE2 3.79Å; L385-Y389 WeakPolarHBondContact O-CD2 3.5Å; L385-Y389 PolarHBondContact O-N 3.25Å
386S34.3Very low55.6Low68 Ų6869 Ų6948%0.47637%0.37SS..THydrogen-bonded Turntrans-58.2-32.8-17568.90000113.2S383 Y389 S390S383-S386 VanDerWaalsContact O-CB 3.29Å; S383-S386 WeakPolarHBondContact O-CB 3.25Å; S383-S386 PolarHBondContact O-N 3.2Å; S383-S386 PolarHBondContact O-OG 3.4Å; S386-Y389 CarbonylContact O-C 3.56Å; S386-Y389 PolarHBondContact O-N 3.09Å; S386-S390 PolarHBondContact O-N 3.24Å
387S36.6Very low57.2Low99 Ų9962.9 Ų62.969%0.69234%0.342SS*.THydrogen-bonded Turntrans-71.9-27.317464.10000113.5L385L385-S387 PolarHBondContact O-N 2.94Å
388L34.8Very low58.7Low90 Ų9063.3 Ų63.347%0.47135%0.347SS..THydrogen-bonded Turntrans-83.8-22.5173.6-83.4126.6000112.4L385L385-L388 HydrophobicContact CD2-CD1 4.1Å; L385-L388 CarbonylContact O-C 3.55Å; L385-L388 WeakPolarHBondContact O-CA 3.3Å; L385-L388 WeakPolarHBondContact O-CB 3.27Å; L385-L388 PolarHBondContact O-N 3.32Å
389Y42.4Very low60.1Low70 Ų7067.6 Ų67.628%0.27538%0.378SS..  trans-10925.9-176.6-63-52.3000114L385 S386 N391 T406L385-Y389 HydrophobicContact CB-CD2 3.28Å; L385-Y389 HydrophobicContact CB-CE2 3.08Å; L385-Y389 HydrophobicContact CB-CG 4.41Å; L385-Y389 HydrophobicContact CD1-CE2 3.51Å; L385-Y389 HydrophobicContact CD2-CE2 4.35Å; L385-Y389 HydrophobicContact CG-CD2 4.44Å; L385-Y389 HydrophobicContact CG-CE2 3.79Å; L385-Y389 WeakPolarHBondContact O-CD2 3.5Å; L385-Y389 PolarHBondContact O-N 3.25Å; S386-Y389 CarbonylContact O-C 3.56Å; S386-Y389 PolarHBondContact O-N 3.09Å; Y389-N391 PolarHBondContact O-N 2.69Å; Y389-T406 HydrophobicContact CD1-CG2 3.93Å; Y389-T406 HydrophobicContact CE1-CG2 4.41Å
390S52.2Low61.6Low83 Ų8364.6 Ų64.658%0.5836%0.364SS*.  trans-55.6-27.7176.9720000111.8S386S386-S390 PolarHBondContact O-N 3.24Å
391N67.4Low63.7Low31 Ų3156.2 Ų56.217%0.16633%0.331CS..SBendtrans-94.1112.6-175.2-54.3-29.5000110.4Y389 F393 T406 V487Y389-N391 PolarHBondContact O-N 2.69Å; N391-F393 HydrophobicContact CB-CD1 4.42Å; N391-F393 VanDerWaalsContact O-CD1 3.32Å; N391-F393 WeakPolarHBondContact O-CD1 3.21Å; N391-T406 PolarHBondContact O-OG1 2.81Å; N391-V487 HydrophobicContact CB-CG1 4.42Å; N391-V487 HydrophobicContact CB-CG2 4.07Å
392R82.1Confident65.8Low41 Ų4154 Ų5416%0.15532%0.322CS..EExtended strand (participates in β ladder)trans-87118.7175.1-63.8-59.1-175.4-166.2-6.8109L378 T406 L407 V469L378-R392 PolarHBondContact O-NH2 3.16Å; R392-T406 VanDerWaalsContact CA-OG1 3.24Å; R392-T406 WeakPolarHBondContact CA-OG1 3.29Å; R392-T406 PolarHBondContact NH1-O 3.28Å; R392-L407 HydrophobicContact CB-CD2 3.92Å; R392-L407 HydrophobicContact CB-CG 4.42Å; R392-L407 HydrophobicContact CG-CD2 4.31Å; R392-V469 HydrophobicContact CB-CB 3.93Å; R392-V469 HydrophobicContact CB-CG2 4.34Å; R392-V469 PolarHBondContact O-N 2.63Å
393F88.7Confident68.4Low5 Ų547.4 Ų47.42%0.02229%0.287CS..EExtended strand (participates in β ladder)trans-152.4166.4-177.467.9-95.6000113.8N391 M404 T405 T406 Y467 M468 T491 F492N391-F393 HydrophobicContact CB-CD1 4.42Å; N391-F393 VanDerWaalsContact O-CD1 3.32Å; N391-F393 WeakPolarHBondContact O-CD1 3.21Å; F393-M404 HydrophobicContact CE2-CB 4.41Å; F393-M404 HydrophobicContact CE2-CE 3.46Å; F393-M404 VanDerWaalsContact CE2-CE 3.46Å; F393-M404 HydrophobicContact CE2-CG 3.83Å; F393-M404 HydrophobicContact CE2-SD 4.22Å; F393-M404 HydrophobicContact CZ-CE 3.63Å; F393-M404 HydrophobicContact CZ-CG 4.22Å; F393-M404 HydrophobicContact CZ-SD 4.22Å; F393-T405 WeakPolarHBondContact O-CA 3.49Å; F393-T405 PolarHBondContact O-OG1 2.83Å; F393-T406 HydrophobicContact CD1-CG2 4.14Å; F393-T406 HydrophobicContact CE1-CG2 3.57Å; F393-T406 HydrophobicContact CZ-CG2 3.83Å; F393-T406 PolarHBondContact N-OG1 2.75Å; F393-T406 PolarHBondContact O-N 2.81Å; F393-Y467 CarbonylContact C-O 3.59Å; F393-Y467 WeakPolarHBondContact CA-O 3.07Å; F393-Y467 WeakPolarHBondContact CB-O 3.49Å; F393-M468 HydrophobicContact CB-CG 4.05Å; F393-T491 HydrophobicContact CD1-CG2 4.31Å; F393-T491 HydrophobicContact CE1-CG2 3.67Å; F393-T491 HydrophobicContact CZ-CG2 3.84Å; F393-F492 HydrophobicContact CB-CZ 4.36Å; F393-F492 HydrophobicContact CD1-CZ 4.35Å; F393-F492 HydrophobicContact CD2-CE1 4.2Å; F393-F492 AromaticContact CD2-CZ 3.54Å; F393-F492 HydrophobicContact CD2-CZ 3.54Å; F393-F492 HydrophobicContact CE2-CE1 4.11Å; F393-F492 AromaticContact CE2-CZ 3.84Å; F393-F492 HydrophobicContact CE2-CZ 3.84Å; F393-F492 HydrophobicContact CG-CE2 4.42Å; F393-F492 AromaticContact CG-CZ 3.82Å; F393-F492 HydrophobicContact CG-CZ 3.82Å; F393-F492 HydrophobicContact CZ-CZ 4.38Å
394I91.6Very high70.8Confident0 Ų047.5 Ų47.50%028%0.284CS..EExtended strand (participates in β ladder)trans-128.7131.3163.2-59.1179.4000108I165 L166 F169 M404 L407 L425 M428 V466 Y467I165-I394 HydrophobicContact CG2-CD1 3.43Å; I165-I394 VanDerWaalsContact CG2-CD1 3.43Å; L166-I394 HydrophobicContact CD2-CD1 4.18Å; L166-I394 HydrophobicContact CD2-CG2 3.63Å; F169-I394 HydrophobicContact CD2-CG2 4.38Å; F169-I394 HydrophobicContact CE2-CG2 3.81Å; I394-M404 CarbonylContact C-O 3.59Å; I394-M404 WeakPolarHBondContact CA-O 3.31Å; I394-L407 HydrophobicContact CD1-CD1 4.19Å; I394-L407 HydrophobicContact CG1-CD1 4.1Å; I394-L425 HydrophobicContact CD1-CD2 3.59Å; I394-M428 HydrophobicContact CD1-SD 3.73Å; I394-M428 HydrophobicContact CG1-SD 4.24Å; I394-V466 CarbonylContact O-C 3.53Å; I394-V466 WeakPolarHBondContact O-CA 3.36Å; I394-Y467 PolarHBondContact N-O 2.89Å; I394-Y467 PolarHBondContact O-N 3.04Å
395Y90.7Very high73.3Confident10 Ų1042.1 Ų42.14%0.03925%0.248CC..EExtended strand (participates in β ladder)trans-116136.6172.9166.2-100.7000109.1N397 V403 M404 R464 E465 V466 F492 F496Y395-N397 HydrophobicContact CE1-CB 3.91Å; Y395-N397 WeakPolarHBondContact OH-CB 3.44Å; Y395-V403 WeakPolarHBondContact O-CA 3.45Å; Y395-V403 WeakPolarHBondContact O-CG2 3.34Å; Y395-M404 HydrophobicContact CD1-CB 4.3Å; Y395-M404 PolarHBondContact N-O 2.87Å; Y395-M404 PolarHBondContact O-N 2.79Å; Y395-R464 HydrophobicContact CE2-CB 4.2Å; Y395-E465 WeakPolarHBondContact CA-O 3.28Å; Y395-V466 HydrophobicContact CD2-CG2 3.65Å; Y395-V466 HydrophobicContact CE2-CG2 4.5Å; Y395-F492 HydrophobicContact CD2-CE1 4.2Å; Y395-F492 HydrophobicContact CG-CE1 4.26Å; Y395-F496 AromaticContact CD2-CE2 3.81Å; Y395-F496 HydrophobicContact CD2-CE2 3.81Å; Y395-F496 HydrophobicContact CD2-CZ 4.03Å; Y395-F496 AromaticContact CE2-CE2 3.57Å; Y395-F496 HydrophobicContact CE2-CE2 3.57Å; Y395-F496 AromaticContact CE2-CZ 3.77Å; Y395-F496 HydrophobicContact CE2-CZ 3.77Å
396W92.4Very high75.5Confident19 Ų1939.5 Ų39.57%0.07224%0.235CC..EExtended strand (participates in β ladder)trans-132.8132.3177.1169.2-124.8000110.4F169 P398 C401 V403 R464 E465F169-W396 HydrophobicContact CB-CD2 3.81Å; F169-W396 HydrophobicContact CB-CE3 3.74Å; F169-W396 HydrophobicContact CB-CG 4.34Å; F169-W396 HydrophobicContact CB-CH2 4.28Å; F169-W396 HydrophobicContact CB-CZ2 4.35Å; F169-W396 HydrophobicContact CB-CZ3 3.99Å; F169-W396 HydrophobicContact CD1-CB 3.99Å; F169-W396 AromaticContact CD1-CD1 3.36Å; F169-W396 AromaticContact CD1-CD2 3.67Å; F169-W396 HydrophobicContact CD1-CD2 3.67Å; F169-W396 AromaticContact CD1-CE2 3.78Å; F169-W396 HydrophobicContact CD1-CE3 4.45Å; F169-W396 AromaticContact CD1-CG 3.41Å; F169-W396 HydrophobicContact CD1-CG 3.41Å; F169-W396 VanDerWaalsContact CD1-CG 3.41Å; F169-W396 AromaticContact CD1-NE1 3.59Å; F169-W396 HydrophobicContact CD2-CB 4.04Å; F169-W396 HydrophobicContact CD2-CD2 4.49Å; F169-W396 HydrophobicContact CD2-CG 4.22Å; F169-W396 HydrophobicContact CE1-CB 3.9Å; F169-W396 AromaticContact CE1-CD1 3.41Å; F169-W396 VanDerWaalsContact CE1-CD1 3.41Å; F169-W396 HydrophobicContact CE1-CD2 4.38Å; F169-W396 AromaticContact CE1-CG 3.64Å; F169-W396 HydrophobicContact CE1-CG 3.64Å; F169-W396 HydrophobicContact CE2-CB 3.96Å; F169-W396 HydrophobicContact CE2-CG 4.41Å; F169-W396 HydrophobicContact CG-CB 4.08Å; F169-W396 AromaticContact CG-CD2 3.75Å; F169-W396 HydrophobicContact CG-CD2 3.75Å; F169-W396 HydrophobicContact CG-CE3 4.09Å; F169-W396 AromaticContact CG-CG 3.74Å; F169-W396 HydrophobicContact CG-CG 3.74Å; F169-W396 HydrophobicContact CZ-CB 3.91Å; F169-W396 HydrophobicContact CZ-CG 4.16Å; F169-W396 WeakPolarHBondContact O-CH2 3.22Å; W396-P398 VanDerWaalsContact CZ2-CA 3.46Å; W396-P398 HydrophobicContact CZ2-CB 3.86Å; W396-C401 HydrophobicContact CH2-CB 4.29Å; W396-C401 VanDerWaalsContact CZ3-C 3.4Å; W396-C401 WeakPolarHBondContact CZ3-O 3.33Å; W396-V403 HydrophobicContact CE3-CB 4.22Å; W396-V403 HydrophobicContact CE3-CG2 4.44Å; W396-R464 WeakPolarHBondContact O-CA 3.3Å; W396-E465 HydrophobicContact CB-CB 4.3Å; W396-E465 PolarHBondContact N-O 3.41Å; W396-E465 PolarHBondContact O-N 3.18Å
397N90.2Very high77.9Confident8 Ų836.2 Ų36.24%0.04321%0.212CC..EExtended strand (participates in β ladder)trans-126.3102171.9-176-3.4000110.3Y395 S399 T400 C401 S402 R464Y395-N397 HydrophobicContact CE1-CB 3.91Å; Y395-N397 WeakPolarHBondContact OH-CB 3.44Å; N397-S399 VanDerWaalsContact C-N 3.26Å; N397-S399 PolarHBondContact ND2-OG 2.87Å; N397-S399 PolarHBondContact O-N 3.31Å; N397-S399 PolarHBondContact OD1-N 3.3Å; N397-S399 VanDerWaalsContact OD1-N 3.15Å; N397-S399 PolarHBondContact OD1-OG 3.49Å; N397-T400 VanDerWaalsContact CG-OG1 3.23Å; N397-T400 PolarHBondContact ND2-OG1 2.85Å; N397-T400 PolarHBondContact O-N 3.01Å; N397-C401 CarbonylContact O-C 3.57Å; N397-C401 WeakPolarHBondContact O-CA 3.23Å; N397-C401 PolarHBondContact O-N 3.14Å; N397-S402 PolarHBondContact N-O 3.21Å; N397-S402 PolarHBondContact O-N 2.88Å; N397-S402 VanDerWaalsContact O-N 3.1Å; N397-R464 HydrophobicContact CB-CG 4.36Å
398P88.4Confident80.1Confident59 Ų5932.1 Ų32.138%0.38318%0.182SC..THydrogen-bonded Turntrans-64.4-30-177.724.7-32000113W396 T400 C401 G463W396-P398 VanDerWaalsContact CZ2-CA 3.46Å; W396-P398 HydrophobicContact CZ2-CB 3.86Å; P398-T400 VanDerWaalsContact C-N 3.28Å; P398-T400 PolarHBondContact O-N 2.95Å; P398-C401 PolarHBondContact O-N 2.78Å; P398-G463 WeakPolarHBondContact CD-O 3.3Å; P398-G463 WeakPolarHBondContact CG-O 3.1Å
399S86.3Confident81.8Confident97 Ų9732.2 Ų32.268%0.67818%0.179SC*.THydrogen-bonded Turntrans-67.4-27.8-178.966.80000113.7N397N397-S399 VanDerWaalsContact C-N 3.26Å; N397-S399 PolarHBondContact ND2-OG 2.87Å; N397-S399 PolarHBondContact O-N 3.31Å; N397-S399 PolarHBondContact OD1-N 3.3Å; N397-S399 VanDerWaalsContact OD1-N 3.15Å; N397-S399 PolarHBondContact OD1-OG 3.49Å
400T85.4Confident83Confident47 Ų4733.4 Ų33.429%0.28818%0.184SC..THydrogen-bonded Turntrans-115.83.2-179.555.90000112.4L217 N397 P398 S402L217-T400 HydrophobicContact CD1-CG2 4.49Å; L217-T400 WeakPolarHBondContact CD1-O 3.43Å; N397-T400 VanDerWaalsContact CG-OG1 3.23Å; N397-T400 PolarHBondContact ND2-OG1 2.85Å; N397-T400 PolarHBondContact O-N 3.01Å; P398-T400 VanDerWaalsContact C-N 3.28Å; P398-T400 PolarHBondContact O-N 2.95Å; T400-S402 PolarHBondContact O-N 3.11Å; T400-S402 VanDerWaalsContact O-N 3.08Å; T400-S402 WeakPolarHBondContact OG1-CB 3.49Å; T400-S402 PolarHBondContact OG1-N 3.48Å
401C90.1Very high83.2Confident3 Ų331.6 Ų31.62%0.0217%0.169CC..THydrogen-bonded Turntrans51.523.4-167.4-56.40000113.2G171 I172 W396 N397 P398G171-C401 CarbonylContact C-O 3.38Å; G171-C401 WeakPolarHBondContact CA-O 3.21Å; I172-C401 HydrophobicContact CD1-CB 4.34Å; I172-C401 HydrophobicContact CG1-CB 4.42Å; I172-C401 PolarHBondContact N-O 3.33Å; W396-C401 HydrophobicContact CH2-CB 4.29Å; W396-C401 VanDerWaalsContact CZ3-C 3.4Å; W396-C401 WeakPolarHBondContact CZ3-O 3.33Å; N397-C401 CarbonylContact O-C 3.57Å; N397-C401 WeakPolarHBondContact O-CA 3.23Å; N397-C401 PolarHBondContact O-N 3.14Å; P398-C401 PolarHBondContact O-N 2.78Å
402S88.2Confident82.2Confident20 Ų2031.2 Ų31.214%0.1417%0.173CC..EExtended strand (participates in β ladder)trans-80.9131-175.4177.80000111.3I172 F174 N397 T400I172-S402 WeakPolarHBondContact O-CA 3.49Å; F174-S402 WeakPolarHBondContact CD2-OG 3.26Å; N397-S402 PolarHBondContact N-O 3.21Å; N397-S402 PolarHBondContact O-N 2.88Å; N397-S402 VanDerWaalsContact O-N 3.1Å; T400-S402 PolarHBondContact O-N 3.11Å; T400-S402 VanDerWaalsContact O-N 3.08Å; T400-S402 WeakPolarHBondContact OG1-CB 3.49Å; T400-S402 PolarHBondContact OG1-N 3.48Å
403V89.4Confident80.6Confident8 Ų832.4 Ų32.45%0.04819%0.187CC..EExtended strand (participates in β ladder)trans-126139173.679.40000111.2L166 F169 I172 Q173 Y395 W396L166-V403 HydrophobicContact CD2-CG2 3.59Å; F169-V403 HydrophobicContact CD2-CG2 4.18Å; I172-V403 PolarHBondContact O-N 2.94Å; Q173-V403 HydrophobicContact CG-CG1 3.93Å; Y395-V403 WeakPolarHBondContact O-CA 3.45Å; Y395-V403 WeakPolarHBondContact O-CG2 3.34Å; W396-V403 HydrophobicContact CE3-CB 4.22Å; W396-V403 HydrophobicContact CE3-CG2 4.44Å
404M84.5Confident79.3Confident40 Ų4033.4 Ų33.420%0.19720%0.199CC..EExtended strand (participates in β ladder)trans-137.6143.2173.9-177.6169.365.300109.5F336 F393 I394 Y395 F492F336-M404 HydrophobicContact CB-SD 4.45Å; F336-M404 HydrophobicContact CD1-SD 4.48Å; F393-M404 HydrophobicContact CE2-CB 4.41Å; F393-M404 HydrophobicContact CE2-CE 3.46Å; F393-M404 VanDerWaalsContact CE2-CE 3.46Å; F393-M404 HydrophobicContact CE2-CG 3.83Å; F393-M404 HydrophobicContact CE2-SD 4.22Å; F393-M404 HydrophobicContact CZ-CE 3.63Å; F393-M404 HydrophobicContact CZ-CG 4.22Å; F393-M404 HydrophobicContact CZ-SD 4.22Å; I394-M404 CarbonylContact C-O 3.59Å; I394-M404 WeakPolarHBondContact CA-O 3.31Å; Y395-M404 HydrophobicContact CD1-CB 4.3Å; Y395-M404 PolarHBondContact N-O 2.87Å; Y395-M404 PolarHBondContact O-N 2.79Å; M404-F492 HydrophobicContact CE-CE1 4.07Å
405T86.8Confident78.5Confident16 Ų1635.8 Ų35.810%0.09821%0.209CC..EExtended strand (participates in β ladder)trans-151.1144.8-177.9-176.30000111.5L166 F393 L407 H408 Y410L166-T405 HydrophobicContact CD1-CG2 3.94Å; F393-T405 WeakPolarHBondContact O-CA 3.49Å; F393-T405 PolarHBondContact O-OG1 2.83Å; T405-L407 PolarHBondContact OG1-N 3.01Å; T405-H408 HydrophobicContact CG2-CB 3.78Å; T405-H408 PolarHBondContact OG1-ND1 2.86Å; T405-Y410 HydrophobicContact CG2-CE2 4.05Å
406T82.8Confident77.6Confident15 Ų1540.5 Ų40.59%0.09223%0.227CC..SBendtrans-112.79.1166.555.70000112.4Y389 N391 R392 F393 I418Y389-T406 HydrophobicContact CD1-CG2 3.93Å; Y389-T406 HydrophobicContact CE1-CG2 4.41Å; N391-T406 PolarHBondContact O-OG1 2.81Å; R392-T406 VanDerWaalsContact CA-OG1 3.24Å; R392-T406 WeakPolarHBondContact CA-OG1 3.29Å; R392-T406 PolarHBondContact NH1-O 3.28Å; F393-T406 HydrophobicContact CD1-CG2 4.14Å; F393-T406 HydrophobicContact CE1-CG2 3.57Å; F393-T406 HydrophobicContact CZ-CG2 3.83Å; F393-T406 PolarHBondContact N-OG1 2.75Å; F393-T406 PolarHBondContact O-N 2.81Å; T406-I418 WeakPolarHBondContact O-CD1 3.41Å
407L85Confident76.9Confident0 Ų041.3 Ų41.30%023%0.234CC..SBendtrans-99.1-2.6177.8-73.9176000113.3L378 R392 I394 T405 I418 A421 I424 L425 M428 V469L378-L407 HydrophobicContact CD2-CD2 4.03Å; R392-L407 HydrophobicContact CB-CD2 3.92Å; R392-L407 HydrophobicContact CB-CG 4.42Å; R392-L407 HydrophobicContact CG-CD2 4.31Å; I394-L407 HydrophobicContact CD1-CD1 4.19Å; I394-L407 HydrophobicContact CG1-CD1 4.1Å; T405-L407 PolarHBondContact OG1-N 3.01Å; L407-I418 WeakPolarHBondContact O-CB 3.32Å; L407-I418 WeakPolarHBondContact O-CG1 3.35Å; L407-I418 PolarHBondContact O-N 3.13Å; L407-A421 HydrophobicContact CD2-CB 4.35Å; L407-I424 HydrophobicContact CD1-CG2 4.18Å; L407-L425 HydrophobicContact CD1-CD2 4.19Å; L407-M428 HydrophobicContact CD1-CE 3.72Å; L407-M428 HydrophobicContact CD1-SD 4.08Å; L407-V469 HydrophobicContact CD1-CG2 4.16Å
408H83.3Confident76.3Confident12 Ų1241.7 Ų41.76%0.05624%0.236CC..EExtended strand (participates in β ladder)trans-129.6150.6179.9-53.874000110.6D164 L166 T405 Y410 R416D164-H408 IonicContact OD1-NE2 3.66Å; D164-H408 IonicContact OD2-CD2 3.66Å; D164-H408 PolarHBondContact OD2-CD2 3.28Å; D164-H408 IonicContact OD2-NE2 3.65Å; D164-H408 PolarHBondContact OD2-NE2 3.19Å; L166-H408 HydrophobicContact CD1-CB 4.39Å; L166-H408 WeakPolarHBondContact CD1-CE1 3.19Å; L166-H408 WeakPolarHBondContact CD1-ND1 3.26Å; T405-H408 HydrophobicContact CG2-CB 3.78Å; T405-H408 PolarHBondContact OG1-ND1 2.86Å; H408-Y410 HydrophobicContact CB-CE2 4.4Å; H408-R416 CarbonylContact C-O 3.56Å; H408-R416 VanDerWaalsContact CA-O 3.29Å; H408-R416 WeakPolarHBondContact CA-O 3.45Å
409F70.4Confident75.5Confident92 Ų9245.8 Ų45.840%0.40425%0.248SC..EExtended strand (participates in β ladder)trans-111.2142.6165.559.9-85000109.5T411 R416 P417 I418F409-T411 HydrophobicContact CD2-CG2 3.47Å; F409-T411 VanDerWaalsContact CD2-CG2 3.47Å; F409-T411 HydrophobicContact CE2-CG2 3.47Å; F409-T411 VanDerWaalsContact CE2-CG2 3.47Å; F409-R416 HydrophobicContact CD1-CB 4.31Å; F409-R416 WeakPolarHBondContact CD1-O 3.37Å; F409-R416 HydrophobicContact CD2-CB 4.22Å; F409-R416 HydrophobicContact CE1-CB 3.72Å; F409-R416 HydrophobicContact CE2-CB 3.63Å; F409-R416 HydrophobicContact CE2-CG 4.23Å; F409-R416 HydrophobicContact CZ-CB 3.35Å; F409-R416 HydrophobicContact CZ-CG 4.2Å; F409-R416 PolarHBondContact N-O 3.43Å; F409-R416 PolarHBondContact O-N 2.98Å; F409-P417 WeakPolarHBondContact CE1-O 3.31Å; F409-I418 HydrophobicContact CD1-CG1 4.2Å
410Y66.2Low74.9Confident95 Ų9542.4 Ų42.437%0.37323%0.229SC..EExtended strand (participates in β ladder)trans-98119.2178-71-95.4000108.4Q173 T405 H408 K415Q173-Y410 PolarHBondContact NE2-OH 2.87Å; T405-Y410 HydrophobicContact CG2-CE2 4.05Å; H408-Y410 HydrophobicContact CB-CE2 4.4Å; Y410-K415 HydrophobicContact CD1-CB 4.06Å; Y410-K415 HydrophobicContact CE1-CB 3.73Å
411T57.1Low74.7Confident46 Ų4640.2 Ų40.228%0.28222%0.215SC..EExtended strand (participates in β ladder)trans-104.3163.8172.367.70000109.4F409 S413 G414F409-T411 HydrophobicContact CD2-CG2 3.47Å; F409-T411 VanDerWaalsContact CD2-CG2 3.47Å; F409-T411 HydrophobicContact CE2-CG2 3.47Å; F409-T411 VanDerWaalsContact CE2-CG2 3.47Å; T411-S413 PolarHBondContact O-N 2.87Å; T411-S413 VanDerWaalsContact O-N 3.17Å; T411-S413 PolarHBondContact OG1-N 3.21Å; T411-S413 PolarHBondContact OG1-OG 2.65Å; T411-G414 PolarHBondContact N-O 2.97Å; T411-G414 PolarHBondContact O-N 3.3Å; T411-G414 PolarHBondContact OG1-N 3.4Å; T411-G414 PolarHBondContact OG1-O 2.71Å
412G47.7Very low74.3Confident23 Ų2344.5 Ų44.524%0.23723%0.233CC..THydrogen-bonded Turntrans-52.2-36.4169.400000111.6I233 G414I233-G412 WeakPolarHBondContact CA-O 3.41Å; I233-G412 VanDerWaalsContact CG1-O 3.29Å; I233-G412 WeakPolarHBondContact CG1-O 3.44Å; I233-G412 PolarHBondContact N-O 2.97Å; G412-G414 PolarHBondContact O-N 3.38Å
413S47.5Very low73.8Confident65 Ų6545.7 Ų45.746%0.45524%0.242SC..THydrogen-bonded Turntrans-79.111.1176.557.70000115.9T411T411-S413 PolarHBondContact O-N 2.87Å; T411-S413 VanDerWaalsContact O-N 3.17Å; T411-S413 PolarHBondContact OG1-N 3.21Å; T411-S413 PolarHBondContact OG1-OG 2.65Å
414G61.5Low73.6Confident26 Ų2645.3 Ų45.327%0.26824%0.239SC..EExtended strand (participates in β ladder)trans109.3-173.8-179.200000114.3T411 G412T411-G414 PolarHBondContact N-O 2.97Å; T411-G414 PolarHBondContact O-N 3.3Å; T411-G414 PolarHBondContact OG1-N 3.4Å; T411-G414 PolarHBondContact OG1-O 2.71Å; G412-G414 PolarHBondContact O-N 3.38Å
415K73.9Confident73.8Confident51 Ų5143.5 Ų43.522%0.22223%0.231CC..EExtended strand (participates in β ladder)trans-76.1145.5179.162172.3-175.4156.60111.1D164 L166 D167 Y410D164-K415 IonicContact OD1-NZ 3.01Å; D164-K415 PolarHBondContact OD1-NZ 3.42Å; D164-K415 IonicContact OD2-NZ 2.76Å; L166-K415 HydrophobicContact CB-CD 4.42Å; L166-K415 HydrophobicContact CD1-CD 4.2Å; D167-K415 WeakPolarHBondContact OD1-CE 3.37Å; D167-K415 IonicContact OD1-NZ 3.7Å; D167-K415 PolarHBondContact OD1-NZ 3.36Å; D167-K415 IonicContact OD2-NZ 2.88Å; D167-K415 PolarHBondContact OD2-NZ 3.09Å; Y410-K415 HydrophobicContact CD1-CB 4.06Å; Y410-K415 HydrophobicContact CE1-CB 3.73Å
416R73.5Confident73.7Confident109 Ų10944.5 Ų44.541%0.41124%0.235SC..EExtended strand (participates in β ladder)trans-138.1138169.6-69.2-172.2-177.7169.74.2110.5H408 F409H408-R416 CarbonylContact C-O 3.56Å; H408-R416 VanDerWaalsContact CA-O 3.29Å; H408-R416 WeakPolarHBondContact CA-O 3.45Å; F409-R416 HydrophobicContact CD1-CB 4.31Å; F409-R416 WeakPolarHBondContact CD1-O 3.37Å; F409-R416 HydrophobicContact CD2-CB 4.22Å; F409-R416 HydrophobicContact CE1-CB 3.72Å; F409-R416 HydrophobicContact CE2-CB 3.63Å; F409-R416 HydrophobicContact CE2-CG 4.23Å; F409-R416 HydrophobicContact CZ-CB 3.35Å; F409-R416 HydrophobicContact CZ-CG 4.2Å; F409-R416 PolarHBondContact N-O 3.43Å; F409-R416 PolarHBondContact O-N 2.98Å
417P77.5Confident73.9Confident35 Ų3543.9 Ų43.923%0.22723%0.232CC..EExtended strand (participates in β ladder)trans-65144.317328.8-34.8000109.7F409 A421 L425F409-P417 WeakPolarHBondContact CE1-O 3.31Å; P417-A421 HydrophobicContact CB-CB 4.5Å; P417-L425 HydrophobicContact CB-CD1 3.52Å
418I77.4Confident74.2Confident16 Ų1643.9 Ų43.98%0.08223%0.232CC..PPolyproline II helixtrans-59.5146.8171.9-69.8171.8000109.5L378 I381 T406 L407 F409 G420 A421L378-I418 HydrophobicContact CD2-CB 4.35Å; L378-I418 HydrophobicContact CD2-CG2 3.77Å; I381-I418 HydrophobicContact CD1-CB 4.42Å; I381-I418 HydrophobicContact CD1-CD1 3.95Å; I381-I418 HydrophobicContact CD1-CG1 4.2Å; I381-I418 HydrophobicContact CD1-CG2 3.38Å; T406-I418 WeakPolarHBondContact O-CD1 3.41Å; L407-I418 WeakPolarHBondContact O-CB 3.32Å; L407-I418 WeakPolarHBondContact O-CG1 3.35Å; L407-I418 PolarHBondContact O-N 3.13Å; F409-I418 HydrophobicContact CD1-CG1 4.2Å; I418-G420 PolarHBondContact O-N 2.96Å; I418-A421 HydrophobicContact CB-CB 4.34Å; I418-A421 WeakPolarHBondContact O-CB 3.13Å; I418-A421 PolarHBondContact O-N 3.05Å
419K70.4Confident74.4Confident146 Ų14643.3 Ų43.364%0.63523%0.229SC*.THydrogen-bonded Turntrans-53.7130176.1-170.1-179.5174.4-121.10109.9D377 A421D377-K419 IonicContact OD1-NZ 2.89Å; D377-K419 PolarHBondContact OD1-NZ 3.19Å; D377-K419 WeakPolarHBondContact OD2-CD 3.38Å; D377-K419 VanDerWaalsContact OD2-CE 3.24Å; D377-K419 WeakPolarHBondContact OD2-CE 3.41Å; D377-K419 IonicContact OD2-NZ 2.73Å; D377-K419 PolarHBondContact OD2-NZ 3.4Å; K419-A421 VanDerWaalsContact C-N 3.31Å; K419-A421 PolarHBondContact O-N 3.04Å
420G73.9Confident75.2Confident26 Ų2639.4 Ų39.427%0.26821%0.212SC..THydrogen-bonded Turntrans86.5-18-17600000115.2A374 I418 K422A374-G420 VanDerWaalsContact CB-CA 3.44Å; A374-G420 WeakPolarHBondContact CB-O 3.43Å; I418-G420 PolarHBondContact O-N 2.96Å; G420-K422 PolarHBondContact O-N 3.32Å; G420-K422 VanDerWaalsContact O-N 3.13Å
421A82.2Confident76.3Confident0 Ų035 Ų350%020%0.195CC..THydrogen-bonded Turntrans-69.9-12.8-175.700000114.4L407 P417 I418 K419 S423 I424 L425L407-A421 HydrophobicContact CD2-CB 4.35Å; P417-A421 HydrophobicContact CB-CB 4.5Å; I418-A421 HydrophobicContact CB-CB 4.34Å; I418-A421 WeakPolarHBondContact O-CB 3.13Å; I418-A421 PolarHBondContact O-N 3.05Å; K419-A421 VanDerWaalsContact C-N 3.31Å; K419-A421 PolarHBondContact O-N 3.04Å; A421-S423 PolarHBondContact O-N 3.43Å; A421-I424 WeakPolarHBondContact O-CB 3.31Å; A421-I424 PolarHBondContact O-N 2.86Å; A421-L425 HydrophobicContact CB-CD1 4.14Å; A421-L425 HydrophobicContact CB-CG 4.42Å; A421-L425 VanDerWaalsContact O-CG 3.24Å; A421-L425 WeakPolarHBondContact O-CG 3.32Å; A421-L425 PolarHBondContact O-N 2.91Å
422K80.6Confident77.9Confident93 Ų9335.1 Ų35.140%0.40419%0.19SC..Hα-helixtrans-57.2-50.4-171.8-176.8164.1-178157.20113.6G420 I424 L425 D426G420-K422 PolarHBondContact O-N 3.32Å; G420-K422 VanDerWaalsContact O-N 3.13Å; K422-I424 VanDerWaalsContact C-N 3.28Å; K422-I424 PolarHBondContact O-N 2.86Å; K422-L425 PolarHBondContact O-N 2.9Å; K422-L425 VanDerWaalsContact O-N 3.14Å; K422-D426 VanDerWaalsContact O-CG 3.24Å; K422-D426 PolarHBondContact O-N 2.88Å
423S78.6Confident79.7Confident45 Ų4536 Ų3632%0.31519%0.188SC..Hα-helixtrans-62.5-36179.349.80000112.8A421 A427A421-S423 PolarHBondContact O-N 3.43Å; S423-A427 PolarHBondContact O-N 2.76Å; S423-A427 VanDerWaalsContact O-N 3.07Å
424I85.8Confident81.5Confident0 Ų032.9 Ų32.90%017%0.167CC..Hα-helixtrans-65.7-45.3174.9-68.3167.6000110.2L378 L407 A421 K422 A427 M428 L450 I456 V469L378-I424 HydrophobicContact CD1-CD1 3.52Å; L407-I424 HydrophobicContact CD1-CG2 4.18Å; A421-I424 WeakPolarHBondContact O-CB 3.31Å; A421-I424 PolarHBondContact O-N 2.86Å; K422-I424 VanDerWaalsContact C-N 3.28Å; K422-I424 PolarHBondContact O-N 2.86Å; I424-A427 PolarHBondContact O-N 2.95Å; I424-M428 HydrophobicContact CG2-CE 3.78Å; I424-M428 HydrophobicContact CG2-SD 4.39Å; I424-M428 VanDerWaalsContact O-CG 3.32Å; I424-M428 WeakPolarHBondContact O-CG 3.33Å; I424-M428 PolarHBondContact O-N 2.88Å; I424-L450 HydrophobicContact CG1-CD1 4.09Å; I424-I456 HydrophobicContact CB-CD1 4.38Å; I424-I456 HydrophobicContact CG2-CD1 3.87Å; I424-V469 HydrophobicContact CD1-CG1 4.17Å; I424-V469 HydrophobicContact CG2-CG2 3.57Å
425L88.1Confident82.8Confident3 Ų331.7 Ų31.72%0.01615%0.154CC..Hα-helixtrans-64.6-42.5179.3-66.4168.1000111.3D164 I165 I394 L407 P417 A421 K422 A427 M428 V429D164-L425 HydrophobicContact CB-CB 4.5Å; D164-L425 HydrophobicContact CB-CD1 4.16Å; I165-L425 HydrophobicContact CG2-CD2 3.97Å; I394-L425 HydrophobicContact CD1-CD2 3.59Å; L407-L425 HydrophobicContact CD1-CD2 4.19Å; P417-L425 HydrophobicContact CB-CD1 3.52Å; A421-L425 HydrophobicContact CB-CD1 4.14Å; A421-L425 HydrophobicContact CB-CG 4.42Å; A421-L425 VanDerWaalsContact O-CG 3.24Å; A421-L425 WeakPolarHBondContact O-CG 3.32Å; A421-L425 PolarHBondContact O-N 2.91Å; K422-L425 PolarHBondContact O-N 2.9Å; K422-L425 VanDerWaalsContact O-N 3.14Å; L425-A427 VanDerWaalsContact C-N 3.32Å; L425-A427 PolarHBondContact O-N 2.8Å; L425-M428 HydrophobicContact CD2-SD 4.43Å; L425-M428 WeakPolarHBondContact O-CB 3.2Å; L425-M428 PolarHBondContact O-N 3.1Å; L425-M428 VanDerWaalsContact O-N 3.1Å; L425-V429 WeakPolarHBondContact O-CG2 3.34Å; L425-V429 PolarHBondContact O-N 3.32Å
426D84Confident83.3Confident36 Ų3632.2 Ų32.219%0.19316%0.164CC..Hα-helixtrans-60.2-42.4175.3-64.9-25000110.9K422 M428 V429 N430K422-D426 VanDerWaalsContact O-CG 3.24Å; K422-D426 PolarHBondContact O-N 2.88Å; D426-M428 PolarHBondContact O-N 2.8Å; D426-V429 PolarHBondContact O-N 2.73Å; D426-N430 PolarHBondContact O-N 3.09Å; D426-N430 PolarHBondContact O-ND2 2.83Å
427A86.6Confident83.8Confident2 Ų232.1 Ų32.12%0.01717%0.171CC..Hα-helixtrans-63.3-38.1173.100000113L364 S423 I424 L425 V429 N430 L431 L450 I456L364-A427 HydrophobicContact CD1-CB 4.04Å; L364-A427 HydrophobicContact CD2-CB 4.31Å; S423-A427 PolarHBondContact O-N 2.76Å; S423-A427 VanDerWaalsContact O-N 3.07Å; I424-A427 PolarHBondContact O-N 2.95Å; L425-A427 VanDerWaalsContact C-N 3.32Å; L425-A427 PolarHBondContact O-N 2.8Å; A427-V429 VanDerWaalsContact C-N 3.3Å; A427-V429 PolarHBondContact O-N 2.79Å; A427-N430 PolarHBondContact O-N 3.21Å; A427-L431 WeakPolarHBondContact O-CG 3.13Å; A427-L431 PolarHBondContact O-N 3.02Å; A427-L431 VanDerWaalsContact O-N 3.07Å; A427-L450 HydrophobicContact CB-CD1 4.32Å; A427-L450 HydrophobicContact CB-CD2 3.82Å; A427-I456 HydrophobicContact CB-CD1 3.76Å
428M91.2Very high84.1Confident0 Ų033.7 Ų33.70%017%0.173CC..Hα-helixtrans-64.6-33.9175.1-68.7180174.200112.3I165 I394 L407 I424 L425 D426 L431 R432 I456 Y467 V469I165-M428 HydrophobicContact CD1-CB 3.64Å; I165-M428 WeakPolarHBondContact CD1-O 3.39Å; I394-M428 HydrophobicContact CD1-SD 3.73Å; I394-M428 HydrophobicContact CG1-SD 4.24Å; L407-M428 HydrophobicContact CD1-CE 3.72Å; L407-M428 HydrophobicContact CD1-SD 4.08Å; I424-M428 HydrophobicContact CG2-CE 3.78Å; I424-M428 HydrophobicContact CG2-SD 4.39Å; I424-M428 VanDerWaalsContact O-CG 3.32Å; I424-M428 WeakPolarHBondContact O-CG 3.33Å; I424-M428 PolarHBondContact O-N 2.88Å; L425-M428 HydrophobicContact CD2-SD 4.43Å; L425-M428 WeakPolarHBondContact O-CB 3.2Å; L425-M428 PolarHBondContact O-N 3.1Å; L425-M428 VanDerWaalsContact O-N 3.1Å; D426-M428 PolarHBondContact O-N 2.8Å; M428-L431 PolarHBondContact O-N 3.3Å; M428-R432 PolarHBondContact O-N 3.49Å; M428-I456 HydrophobicContact CE-CG2 4.24Å; M428-I456 HydrophobicContact CG-CD1 4.35Å; M428-I456 HydrophobicContact CG-CG2 4.19Å; M428-Y467 HydrophobicContact CB-CD1 3.91Å; M428-Y467 HydrophobicContact CB-CE1 4.38Å; M428-Y467 HydrophobicContact CB-CG 4.49Å; M428-Y467 HydrophobicContact CG-CD1 3.93Å; M428-Y467 HydrophobicContact CG-CG 4.31Å; M428-Y467 HydrophobicContact SD-CD1 4.49Å; M428-Y467 HydrophobicContact SD-CG 4.28Å; M428-V469 HydrophobicContact CE-CG2 3.45Å; M428-V469 VanDerWaalsContact CE-CG2 3.45Å
429V89.2Confident84.2Confident0 Ų037.4 Ų37.40%020%0.198CC..Hα-helixtrans-65-44.4175.3-178.70000110.9H109 I112 I165 L425 D426 A427 L431 R432 E433H109-V429 HydrophobicContact CB-CG1 3.51Å; I112-V429 HydrophobicContact CD1-CG2 4.15Å; I165-V429 HydrophobicContact CB-CG2 3.7Å; I165-V429 HydrophobicContact CG1-CG2 4.16Å; L425-V429 WeakPolarHBondContact O-CG2 3.34Å; L425-V429 PolarHBondContact O-N 3.32Å; D426-V429 PolarHBondContact O-N 2.73Å; A427-V429 VanDerWaalsContact C-N 3.3Å; A427-V429 PolarHBondContact O-N 2.79Å; V429-L431 VanDerWaalsContact C-N 3.29Å; V429-L431 PolarHBondContact O-N 2.6Å; V429-R432 WeakPolarHBondContact O-CB 3.5Å; V429-R432 PolarHBondContact O-N 2.94Å; V429-R432 VanDerWaalsContact O-N 3.08Å; V429-E433 PolarHBondContact O-N 3.42Å
430N87.1Confident84.6Confident11 Ų1138.1 Ų38.16%0.05921%0.209CC..Hα-helixtrans-58.6-41.1174.1-73.4-77.2000112.4H109 T360 L361 L364 D426 A427 R432 E433 E434H109-N430 VanDerWaalsContact CE1-CG 3.47Å; H109-N430 PolarHBondContact CE1-OD1 3.36Å; H109-N430 PolarHBondContact NE2-ND2 2.64Å; H109-N430 PolarHBondContact NE2-OD1 3.08Å; T360-N430 PolarHBondContact O-OD1 3.16Å; T360-N430 PolarHBondContact OG1-O 3.29Å; L361-N430 HydrophobicContact CD2-CB 3.93Å; L364-N430 HydrophobicContact CD1-CB 4.39Å; L364-N430 HydrophobicContact CD2-CB 4.46Å; L364-N430 VanDerWaalsContact CD2-ND2 3.26Å; L364-N430 WeakPolarHBondContact CD2-ND2 3.31Å; L364-N430 HydrophobicContact CG-CB 4.38Å; D426-N430 PolarHBondContact O-N 3.09Å; D426-N430 PolarHBondContact O-ND2 2.83Å; A427-N430 PolarHBondContact O-N 3.21Å; N430-R432 VanDerWaalsContact C-N 3.32Å; N430-R432 PolarHBondContact O-N 3.48Å; N430-E433 PolarHBondContact O-N 3.09Å; N430-E434 PolarHBondContact O-N 3.08Å; N430-E434 VanDerWaalsContact O-N 3.08Å
431L89.4Confident85Confident1 Ų137.9 Ų37.91%0.00520%0.203CC..Hα-helixtrans-65.7-33.8175.6-72.7171.1000112.7L361 A427 M428 V429 E434 F435 I446 V448 I456 C458 Y467L361-L431 HydrophobicContact CD1-CD2 3.92Å; L361-L431 HydrophobicContact CD2-CD2 3.98Å; L361-L431 HydrophobicContact CD2-CG 4.2Å; L361-L431 HydrophobicContact CG-CD2 4.45Å; A427-L431 WeakPolarHBondContact O-CG 3.13Å; A427-L431 PolarHBondContact O-N 3.02Å; A427-L431 VanDerWaalsContact O-N 3.07Å; M428-L431 PolarHBondContact O-N 3.3Å; V429-L431 VanDerWaalsContact C-N 3.29Å; V429-L431 PolarHBondContact O-N 2.6Å; L431-E434 WeakPolarHBondContact O-CB 3.45Å; L431-E434 PolarHBondContact O-N 3.47Å; L431-F435 PolarHBondContact O-N 2.87Å; L431-F435 VanDerWaalsContact O-N 3.09Å; L431-I446 HydrophobicContact CD2-CB 4.31Å; L431-I446 HydrophobicContact CD2-CG2 3.81Å; L431-V448 HydrophobicContact CD2-CG2 3.74Å; L431-I456 HydrophobicContact CD1-CB 4.25Å; L431-I456 HydrophobicContact CD1-CG2 3.5Å; L431-C458 HydrophobicContact CD1-CB 4.3Å; L431-Y467 HydrophobicContact CB-CE1 4.03Å
432R89.1Confident84.9Confident49 Ų4942.1 Ų42.119%0.18522%0.219CC..Hα-helixtrans-68.4-42.4174.2-172.9-175172.2-79.8-1.4112D111 I165 F169 M428 V429 N430 E434 F435 S436 Y467D111-R432 IonicContact OD2-NH1 2.95Å; D111-R432 PolarHBondContact OD2-NH1 2.86Å; I165-R432 HydrophobicContact CD1-CB 4.36Å; F169-R432 HydrophobicContact CE1-CG 4.44Å; M428-R432 PolarHBondContact O-N 3.49Å; V429-R432 WeakPolarHBondContact O-CB 3.5Å; V429-R432 PolarHBondContact O-N 2.94Å; V429-R432 VanDerWaalsContact O-N 3.08Å; N430-R432 VanDerWaalsContact C-N 3.32Å; N430-R432 PolarHBondContact O-N 3.48Å; R432-E434 PolarHBondContact O-N 3.02Å; R432-F435 PolarHBondContact O-N 3.35Å; R432-S436 PolarHBondContact O-N 3.16Å; R432-S436 PolarHBondContact O-OG 3.3Å; R432-Y467 WeakPolarHBondContact CA-OH 3.29Å; R432-Y467 VanDerWaalsContact CB-OH 3.27Å; R432-Y467 WeakPolarHBondContact CB-OH 3.45Å
433E85.6Confident85.1Confident42 Ų4238.6 Ų38.620%0.19620%0.204CC..Hα-helixtrans-58-40.4173.5-70.7-179.7-176.900110.2H109 T360 V429 N430 F435 S436 L437H109-E433 IonicContact CE1-OE1 2.6Å; H109-E433 IonicContact CE1-OE2 3.33Å; H109-E433 IonicContact CG-OE1 3.8Å; H109-E433 IonicContact ND1-OE1 2.85Å; H109-E433 PolarHBondContact ND1-OE1 2.92Å; H109-E433 IonicContact ND1-OE2 3.91Å; T360-E433 HydrophobicContact CG2-CB 3.85Å; V429-E433 PolarHBondContact O-N 3.42Å; N430-E433 PolarHBondContact O-N 3.09Å; E433-F435 PolarHBondContact O-N 2.9Å; E433-S436 WeakPolarHBondContact O-CA 3.49Å; E433-S436 VanDerWaalsContact O-CB 3.3Å; E433-S436 WeakPolarHBondContact O-CB 3.22Å; E433-S436 PolarHBondContact O-N 2.84Å; E433-L437 PolarHBondContact O-N 3.14Å
434E87.1Confident85.6Confident0 Ų037.8 Ų37.80%020%0.195CC..Hα-helixtrans-63.8-39.4177.1-16553.4-138.300113.3L358 P359 T360 N430 L431 R432 S436 L437 R438 I446L358-E434 HydrophobicContact CB-CG 4.33Å; L358-E434 HydrophobicContact CD2-CG 3.47Å; L358-E434 VanDerWaalsContact CD2-CG 3.47Å; L358-E434 WeakPolarHBondContact CD2-OE1 3.27Å; L358-E434 HydrophobicContact CG-CG 4.48Å; P359-E434 VanDerWaalsContact CD-OE2 3.25Å; P359-E434 WeakPolarHBondContact CD-OE2 3.42Å; T360-E434 HydrophobicContact CG2-CB 4.46Å; T360-E434 WeakPolarHBondContact CG2-OE2 3.45Å; T360-E434 PolarHBondContact N-OE2 2.84Å; T360-E434 WeakPolarHBondContact OG1-CB 3.19Å; T360-E434 PolarHBondContact OG1-OE2 2.93Å; T360-E434 VanDerWaalsContact OG1-OE2 3.09Å; N430-E434 PolarHBondContact O-N 3.08Å; N430-E434 VanDerWaalsContact O-N 3.08Å; L431-E434 WeakPolarHBondContact O-CB 3.45Å; L431-E434 PolarHBondContact O-N 3.47Å; R432-E434 PolarHBondContact O-N 3.02Å; E434-S436 VanDerWaalsContact C-N 3.3Å; E434-L437 PolarHBondContact O-N 3.38Å; E434-R438 PolarHBondContact O-NH1 2.89Å; E434-R438 IonicContact OE1-CZ 2.9Å; E434-R438 IonicContact OE1-NH1 3.29Å; E434-R438 PolarHBondContact OE1-NH1 2.79Å; E434-R438 IonicContact OE1-NH2 3.09Å; E434-R438 PolarHBondContact OE1-NH2 3.38Å; E434-I446 HydrophobicContact CB-CD1 4.34Å; E434-I446 HydrophobicContact CG-CD1 3.82Å
435F86.8Confident85.8Confident0 Ų041.5 Ų41.50%021%0.213CC..Hα-helixtrans-66.3-32.4170.5-78.1-27.2000112.7L431 R432 E433 L437 R438 E444 I446 C458 R460L431-F435 PolarHBondContact O-N 2.87Å; L431-F435 VanDerWaalsContact O-N 3.09Å; R432-F435 PolarHBondContact O-N 3.35Å; E433-F435 PolarHBondContact O-N 2.9Å; F435-L437 PolarHBondContact O-N 3.24Å; F435-R438 CarbonylContact O-C 3.54Å; F435-R438 PolarHBondContact O-N 3.16Å; F435-R438 VanDerWaalsContact O-N 3.08Å; F435-E444 HydrophobicContact CD1-CB 4.25Å; F435-E444 WeakPolarHBondContact CD1-OE2 3.42Å; F435-E444 HydrophobicContact CE1-CB 3.68Å; F435-I446 HydrophobicContact CD1-CD1 3.86Å; F435-I446 HydrophobicContact CE1-CD1 3.58Å; F435-I446 HydrophobicContact CE1-CG1 3.92Å; F435-I446 HydrophobicContact CZ-CD1 4.34Å; F435-C458 HydrophobicContact CE2-CB 3.8Å; F435-C458 VanDerWaalsContact CE2-SG 3.6Å; F435-C458 HydrophobicContact CZ-CB 3.98Å; F435-C458 WeakPolarHBondContact CZ-SG 3.34Å; F435-R460 HydrophobicContact CD2-CB 4.29Å; F435-R460 HydrophobicContact CE1-CB 4.28Å; F435-R460 HydrophobicContact CE2-CB 4.03Å; F435-R460 HydrophobicContact CZ-CB 4.03Å; F435-R460 PolarHBondContact O-NH1 3.06Å; F435-R460 PolarHBondContact O-NH2 3.24Å
436S84.4Confident85.9Confident63 Ų6342.2 Ų42.244%0.44122%0.216SC..Hα-helixtrans-67.7-24.7179-56.70000112.2R432 E433 E434 R438R432-S436 PolarHBondContact O-N 3.16Å; R432-S436 PolarHBondContact O-OG 3.3Å; E433-S436 WeakPolarHBondContact O-CA 3.49Å; E433-S436 VanDerWaalsContact O-CB 3.3Å; E433-S436 WeakPolarHBondContact O-CB 3.22Å; E433-S436 PolarHBondContact O-N 2.84Å; E434-S436 VanDerWaalsContact C-N 3.3Å; S436-R438 PolarHBondContact O-N 3.26Å
437L85.5Confident86.1Confident106 Ų10643 Ų4356%0.55523%0.225SC*.THydrogen-bonded Turntrans-69.8-17.3172.4-62.1177.3000113.5P359 T360 E433 E434 F435 P439P359-L437 HydrophobicContact CG-CD1 3.78Å; T360-L437 HydrophobicContact CG2-CD1 4.09Å; E433-L437 PolarHBondContact O-N 3.14Å; E434-L437 PolarHBondContact O-N 3.38Å; F435-L437 PolarHBondContact O-N 3.24Å; L437-P439 VanDerWaalsContact C-CD 3.45Å; L437-P439 WeakPolarHBondContact O-CD 3.5Å
438R84Confident86.2Confident69 Ų6944 Ų4426%0.2623%0.23SC..  trans-124.458.8-176.2-58.7-177.1-169.584.15.2111.9E434 F435 S436 N440 S441 E444 R460E434-R438 PolarHBondContact O-NH1 2.89Å; E434-R438 IonicContact OE1-CZ 2.9Å; E434-R438 IonicContact OE1-NH1 3.29Å; E434-R438 PolarHBondContact OE1-NH1 2.79Å; E434-R438 IonicContact OE1-NH2 3.09Å; E434-R438 PolarHBondContact OE1-NH2 3.38Å; F435-R438 CarbonylContact O-C 3.54Å; F435-R438 PolarHBondContact O-N 3.16Å; F435-R438 VanDerWaalsContact O-N 3.08Å; S436-R438 PolarHBondContact O-N 3.26Å; R438-N440 PolarHBondContact O-N 3.48Å; R438-N440 VanDerWaalsContact O-N 3.1Å; R438-S441 PolarHBondContact O-N 2.92Å; R438-E444 WeakPolarHBondContact CB-OE1 3.42Å; R438-E444 WeakPolarHBondContact CD-OE1 3.47Å; R438-R460 PolarHBondContact O-NH2 3.2Å
439P78.9Confident85.9Confident94 Ų9449.3 Ų49.361%0.6125%0.25SS*.THydrogen-bonded Turntrans-63.4-24.3-169.226.4-35.8000114.5L437 S441L437-P439 VanDerWaalsContact C-CD 3.45Å; L437-P439 WeakPolarHBondContact O-CD 3.5Å; P439-S441 VanDerWaalsContact C-N 3.34Å
440N79.5Confident85.6Confident160 Ų16049.7 Ų49.786%0.85625%0.252SS*.THydrogen-bonded Turntrans-87.1-2.3-174.8-62.1-21.7000114R438 W442R438-N440 PolarHBondContact O-N 3.48Å; R438-N440 VanDerWaalsContact O-N 3.1Å; N440-W442 PolarHBondContact O-N 3.17Å
441S81.8Confident85.1Confident22 Ų2249.3 Ų49.315%0.15425%0.251CS..  trans-83.7114.9-176.2-160.10000110.9R351 R438 P439 H443 E444R351-S441 PolarHBondContact NH1-OG 2.86Å; R351-S441 PolarHBondContact NH2-OG 2.55Å; R438-S441 PolarHBondContact O-N 2.92Å; P439-S441 VanDerWaalsContact C-N 3.34Å; S441-H443 VanDerWaalsContact C-N 3.28Å; S441-H443 PolarHBondContact O-N 3.1Å; S441-H443 PolarHBondContact OG-O 3.28Å; S441-E444 WeakPolarHBondContact CB-OE1 3.43Å; S441-E444 VanDerWaalsContact OG-CD 3.27Å; S441-E444 WeakPolarHBondContact OG-CG 3.33Å; S441-E444 PolarHBondContact OG-OE1 3.46Å
442W80.3Confident84.4Confident88 Ų8851.2 Ų51.233%0.33326%0.264SS..SBendtrans-70.2-26.1-179.569.5-93.3000113S349 N440 S461 N462S349-W442 WeakPolarHBondContact OG-CZ2 3.3Å; N440-W442 PolarHBondContact O-N 3.17Å; W442-S461 CarbonylContact O-C 3.56Å; W442-S461 VanDerWaalsContact O-CA 3.29Å; W442-S461 WeakPolarHBondContact O-CA 3.33Å; W442-N462 PolarHBondContact O-N 3.2Å
443H85Confident83.8Confident20 Ų2052.5 Ų52.59%0.09327%0.272CS..EExtended strand (participates in β ladder)trans-144.2128177.617943.9000111R351 S441 R459 R460 D499R351-H443 PolarHBondContact NH1-O 3.46Å; R351-H443 PolarHBondContact NH2-O 2.54Å; S441-H443 VanDerWaalsContact C-N 3.28Å; S441-H443 PolarHBondContact O-N 3.1Å; S441-H443 PolarHBondContact OG-O 3.28Å; H443-R459 PolarHBondContact CE1-NE 2.78Å; H443-R459 PolarHBondContact CE1-NH2 3.11Å; H443-R460 CarbonylContact C-O 3.54Å; H443-R460 VanDerWaalsContact CA-O 3.22Å; H443-R460 WeakPolarHBondContact CA-O 3.47Å; H443-R460 PolarHBondContact ND1-O 3.15Å; H443-D499 IonicContact NE2-OD2 3.28Å
444E87.7Confident83.6Confident27 Ų2750.5 Ų50.513%0.12626%0.263CS..EExtended strand (participates in β ladder)trans-144.5150.9172.6-64.1-172.1157.100109.6F435 R438 S441 R459 R460F435-E444 HydrophobicContact CD1-CB 4.25Å; F435-E444 WeakPolarHBondContact CD1-OE2 3.42Å; F435-E444 HydrophobicContact CE1-CB 3.68Å; R438-E444 WeakPolarHBondContact CB-OE1 3.42Å; R438-E444 WeakPolarHBondContact CD-OE1 3.47Å; S441-E444 WeakPolarHBondContact CB-OE1 3.43Å; S441-E444 VanDerWaalsContact OG-CD 3.27Å; S441-E444 WeakPolarHBondContact OG-CG 3.33Å; S441-E444 PolarHBondContact OG-OE1 3.46Å; E444-R459 CarbonylContact O-C 3.56Å; E444-R459 VanDerWaalsContact O-CA 3.26Å; E444-R459 WeakPolarHBondContact O-CA 3.43Å; E444-R459 WeakPolarHBondContact O-CG 3.46Å; E444-R460 PolarHBondContact N-O 3.41Å; E444-R460 PolarHBondContact O-N 3.2Å; E444-R460 IonicContact OE1-NH2 2.8Å; E444-R460 IonicContact OE2-CZ 3.37Å; E444-R460 IonicContact OE2-NH2 2.86Å; E444-R460 PolarHBondContact OE2-NH2 3.1Å
445E90.2Very high83.6Confident79 Ų7952.4 Ų52.437%0.36927%0.27SS..EExtended strand (participates in β ladder)trans-137131.2171.3-167.4173107.400108.8V457 C458 R459E445-V457 HydrophobicContact CG-CG1 4.1Å; E445-C458 CarbonylContact C-O 3.59Å; E445-C458 VanDerWaalsContact CA-O 3.31Å; E445-C458 WeakPolarHBondContact CA-O 3.22Å; E445-R459 HydrophobicContact CB-CG 4.35Å; E445-R459 HydrophobicContact CG-CB 4.35Å; E445-R459 HydrophobicContact CG-CG 4.41Å; E445-R459 IonicContact OE2-CZ 3.38Å; E445-R459 IonicContact OE2-NH1 2.67Å; E445-R459 PolarHBondContact OE2-NH1 3.28Å
446I90.5Very high83.7Confident17 Ų1752.4 Ų52.49%0.08727%0.27CS..EExtended strand (participates in β ladder)trans-127.3123.1175.8-52.7166.9000106.6L358 L431 E434 F435 V448 C458L358-I446 HydrophobicContact CD1-CG2 3.72Å; L358-I446 HydrophobicContact CD2-CD1 4.05Å; L358-I446 HydrophobicContact CD2-CG1 4.44Å; L358-I446 HydrophobicContact CD2-CG2 4.16Å; L431-I446 HydrophobicContact CD2-CB 4.31Å; L431-I446 HydrophobicContact CD2-CG2 3.81Å; E434-I446 HydrophobicContact CB-CD1 4.34Å; E434-I446 HydrophobicContact CG-CD1 3.82Å; F435-I446 HydrophobicContact CD1-CD1 3.86Å; F435-I446 HydrophobicContact CE1-CD1 3.58Å; F435-I446 HydrophobicContact CE1-CG1 3.92Å; F435-I446 HydrophobicContact CZ-CD1 4.34Å; I446-V448 HydrophobicContact CG2-CG2 4.08Å; I446-C458 PolarHBondContact N-O 3.41Å; I446-C458 PolarHBondContact O-N 2.86Å
447S88.3Confident84Confident53 Ų5349.4 Ų49.437%0.37125%0.249SC..EExtended strand (participates in β ladder)trans-109.4122.3174.7-700000109.2
448V88Confident84.3Confident23 Ų2344.4 Ų44.414%0.13922%0.222CC..EExtended strand (participates in β ladder)trans-120.1131.2177.5177.90000109.2L361 L431 I446 L450 W455 I456L361-V448 HydrophobicContact CD1-CG2 3.57Å; L361-V448 HydrophobicContact CD2-CG2 4.45Å; L431-V448 HydrophobicContact CD2-CG2 3.74Å; I446-V448 HydrophobicContact CG2-CG2 4.08Å; V448-L450 HydrophobicContact CG1-CD2 4.47Å; V448-W455 WeakPolarHBondContact O-CA 3.27Å; V448-I456 PolarHBondContact N-O 2.85Å; V448-I456 PolarHBondContact O-N 3.39Å
449R85.6Confident84.7Confident111 Ų11141.9 Ų41.942%0.41921%0.213SC..EExtended strand (participates in β ladder)trans-90.4118.2169.9-170.6175.671.3-175.41.2108.8D451 W455R449-D451 VanDerWaalsContact CD-O 3.24Å; R449-D451 WeakPolarHBondContact CD-O 3.46Å; R449-D451 WeakPolarHBondContact CG-O 3.38Å; R449-W455 HydrophobicContact CB-CD2 3.97Å; R449-W455 HydrophobicContact CB-CE3 3.78Å; R449-W455 HydrophobicContact CB-CH2 3.88Å; R449-W455 HydrophobicContact CB-CZ2 4.05Å; R449-W455 HydrophobicContact CB-CZ3 3.73Å; R449-W455 HydrophobicContact CG-CD2 4.07Å; R449-W455 HydrophobicContact CG-CE3 4.38Å; R449-W455 HydrophobicContact CG-CH2 4.32Å; R449-W455 HydrophobicContact CG-CZ2 3.98Å
450L81.9Confident85.2Confident8 Ų838.3 Ų38.34%0.04219%0.187CC..  trans-79.8-50.7174.7-70.9-175.8000110.9I366 I371 I424 A427 V448 C454 I456I366-L450 HydrophobicContact CD1-CD2 4.39Å; I366-L450 WeakPolarHBondContact CD1-O 3.37Å; I366-L450 HydrophobicContact CG1-CD2 4.12Å; I366-L450 WeakPolarHBondContact CG2-O 3.47Å; I371-L450 HydrophobicContact CD1-CB 3.9Å; I371-L450 HydrophobicContact CD1-CD1 4.34Å; I424-L450 HydrophobicContact CG1-CD1 4.09Å; A427-L450 HydrophobicContact CB-CD1 4.32Å; A427-L450 HydrophobicContact CB-CD2 3.82Å; V448-L450 HydrophobicContact CG1-CD2 4.47Å; L450-C454 HydrophobicContact CB-CB 4.38Å; L450-C454 PolarHBondContact N-O 3.44Å; L450-I456 HydrophobicContact CD1-CD1 3.36Å; L450-I456 HydrophobicContact CD1-CG1 3.86Å; L450-I456 HydrophobicContact CD2-CD1 4.41Å; L450-I456 HydrophobicContact CG-CD1 3.94Å; L450-I456 HydrophobicContact CG-CG1 4.16Å
451D78.4Confident85.6Confident4 Ų430.9 Ų30.92%0.02115%0.148CC..SBendtrans-138.5-166.117868.518.2000111.4E368 I371 R449 H453 C454E368-D451 HydrophobicContact CG-CB 4.4Å; I371-D451 VanDerWaalsContact CB-OD2 3.32Å; I371-D451 WeakPolarHBondContact CB-OD2 3.43Å; I371-D451 WeakPolarHBondContact CG2-OD2 3.21Å; R449-D451 VanDerWaalsContact CD-O 3.24Å; R449-D451 WeakPolarHBondContact CD-O 3.46Å; R449-D451 WeakPolarHBondContact CG-O 3.38Å; D451-H453 PolarHBondContact O-N 2.87Å; D451-H453 VanDerWaalsContact O-N 3.07Å; D451-H453 WeakPolarHBondContact OD1-CA 3.42Å; D451-H453 PolarHBondContact OD1-N 3.39Å; D451-C454 VanDerWaalsContact OD1-CB 3.24Å; D451-C454 WeakPolarHBondContact OD1-CB 3.48Å; D451-C454 PolarHBondContact OD1-N 3.03Å
452S74Confident85.7Confident40 Ų4034 Ų3428%0.2816%0.163SC..SBendtrans-62.7-13.6-179.965.50000114.6Q474S452-Q474 PolarHBondContact O-N 3.36Å
453H75.6Confident85.9Confident77 Ų7731.4 Ų31.436%0.35616%0.164SC..SBendtrans-132.9-14.2-172.5-61-28.2000114.5D451 T471 I472D451-H453 PolarHBondContact O-N 2.87Å; D451-H453 VanDerWaalsContact O-N 3.07Å; D451-H453 WeakPolarHBondContact OD1-CA 3.42Å; D451-H453 PolarHBondContact OD1-N 3.39Å; H453-T471 CarbonylContact O-C 3.49Å; H453-T471 VanDerWaalsContact O-C 3.24Å; H453-T471 WeakPolarHBondContact O-CA 3.2Å; H453-I472 CarbonylContact C-O 3.58Å; H453-I472 WeakPolarHBondContact CA-O 3.42Å; H453-I472 PolarHBondContact O-N 3.25Å
454C82.9Confident86.2Confident0 Ų032.3 Ų32.30%017%0.166CC..EExtended strand (participates in β ladder)trans-114.3124-172.3-177.20000111.9I371 I375 L450 D451 F470I371-C454 HydrophobicContact CG2-CB 4.23Å; I375-C454 HydrophobicContact CD1-CB 3.72Å; I375-C454 HydrophobicContact CG1-CB 4.43Å; L450-C454 HydrophobicContact CB-CB 4.38Å; L450-C454 PolarHBondContact N-O 3.44Å; D451-C454 VanDerWaalsContact OD1-CB 3.24Å; D451-C454 WeakPolarHBondContact OD1-CB 3.48Å; D451-C454 PolarHBondContact OD1-N 3.03Å; C454-F470 WeakPolarHBondContact CA-O 3.45Å
455W85.8Confident86.4Confident39 Ų3931.9 Ų31.915%0.14816%0.164CC..EExtended strand (participates in β ladder)trans-116.3136.2175-67.683.1000109.9V448 R449 V469 F470 L480V448-W455 WeakPolarHBondContact O-CA 3.27Å; R449-W455 HydrophobicContact CB-CD2 3.97Å; R449-W455 HydrophobicContact CB-CE3 3.78Å; R449-W455 HydrophobicContact CB-CH2 3.88Å; R449-W455 HydrophobicContact CB-CZ2 4.05Å; R449-W455 HydrophobicContact CB-CZ3 3.73Å; R449-W455 HydrophobicContact CG-CD2 4.07Å; R449-W455 HydrophobicContact CG-CE3 4.38Å; R449-W455 HydrophobicContact CG-CH2 4.32Å; R449-W455 HydrophobicContact CG-CZ2 3.98Å; W455-V469 CarbonylContact O-C 3.52Å; W455-V469 WeakPolarHBondContact O-CA 3.5Å; W455-F470 HydrophobicContact CB-CB 4.29Å; W455-F470 PolarHBondContact N-O 2.99Å; W455-F470 PolarHBondContact O-N 3.44Å; W455-L480 HydrophobicContact CB-CD1 4.01Å; W455-L480 HydrophobicContact CB-CD2 4.3Å; W455-L480 HydrophobicContact CD2-CD2 3.72Å; W455-L480 HydrophobicContact CE3-CD2 3.68Å; W455-L480 HydrophobicContact CG-CD1 4.25Å; W455-L480 HydrophobicContact CG-CD2 4.01Å; W455-L480 HydrophobicContact CZ3-CD2 4.21Å
456I90.1Very high86.5Confident1 Ų128.1 Ų28.11%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-108.8124.1165.2-60.2-178.9000107.6I424 A427 M428 L431 V448 L450 M468I424-I456 HydrophobicContact CB-CD1 4.38Å; I424-I456 HydrophobicContact CG2-CD1 3.87Å; A427-I456 HydrophobicContact CB-CD1 3.76Å; M428-I456 HydrophobicContact CE-CG2 4.24Å; M428-I456 HydrophobicContact CG-CD1 4.35Å; M428-I456 HydrophobicContact CG-CG2 4.19Å; L431-I456 HydrophobicContact CD1-CB 4.25Å; L431-I456 HydrophobicContact CD1-CG2 3.5Å; V448-I456 PolarHBondContact N-O 2.85Å; V448-I456 PolarHBondContact O-N 3.39Å; L450-I456 HydrophobicContact CD1-CD1 3.36Å; L450-I456 HydrophobicContact CD1-CG1 3.86Å; L450-I456 HydrophobicContact CD2-CD1 4.41Å; L450-I456 HydrophobicContact CG-CD1 3.94Å; L450-I456 HydrophobicContact CG-CG1 4.16Å; I456-M468 CarbonylContact C-O 3.48Å; I456-M468 VanDerWaalsContact CA-O 3.31Å; I456-M468 WeakPolarHBondContact CA-O 3.31Å
457V90Very high86.6Confident0 Ų027.3 Ų27.30%014%0.143CC..EExtended strand (participates in β ladder)trans-114.4115.3176-178.70000106.8E445 M468 F470 L480 I484E445-V457 HydrophobicContact CG-CG1 4.1Å; V457-M468 HydrophobicContact CB-CE 4.26Å; V457-M468 HydrophobicContact CG1-CE 4.02Å; V457-M468 PolarHBondContact N-O 3.33Å; V457-M468 PolarHBondContact O-N 3.5Å; V457-F470 HydrophobicContact CB-CD2 4.39Å; V457-F470 HydrophobicContact CB-CE2 4.09Å; V457-F470 HydrophobicContact CG2-CD2 3.78Å; V457-F470 HydrophobicContact CG2-CE2 3.85Å; V457-L480 HydrophobicContact CG2-CD1 4.08Å; V457-L480 HydrophobicContact CG2-CD2 4.4Å; V457-I484 HydrophobicContact CB-CD1 4.42Å; V457-I484 HydrophobicContact CG1-CD1 3.93Å; V457-I484 HydrophobicContact CG1-CG1 4.29Å; V457-I484 HydrophobicContact CG2-CD1 3.82Å; V457-I484 HydrophobicContact CG2-CG1 4.13Å
458C92Very high86.7Confident0 Ų024.9 Ų24.90%013%0.125CC..EExtended strand (participates in β ladder)trans-107.2134.7170.368.20000110.4L431 F435 E445 I446 V466 Y467L431-C458 HydrophobicContact CD1-CB 4.3Å; F435-C458 HydrophobicContact CE2-CB 3.8Å; F435-C458 VanDerWaalsContact CE2-SG 3.6Å; F435-C458 HydrophobicContact CZ-CB 3.98Å; F435-C458 WeakPolarHBondContact CZ-SG 3.34Å; E445-C458 CarbonylContact C-O 3.59Å; E445-C458 VanDerWaalsContact CA-O 3.31Å; E445-C458 WeakPolarHBondContact CA-O 3.22Å; I446-C458 PolarHBondContact N-O 3.41Å; I446-C458 PolarHBondContact O-N 2.86Å; C458-V466 CarbonylContact C-O 3.59Å; C458-V466 WeakPolarHBondContact CA-O 3.4Å; C458-Y467 HydrophobicContact CB-CD1 3.5Å; C458-Y467 VanDerWaalsContact CB-CD1 3.5Å; C458-Y467 HydrophobicContact CB-CE1 3.72Å; C458-Y467 HydrophobicContact CB-CG 4.17Å
459R91.3Very high86.7Confident16 Ų1624.4 Ų24.46%0.0612%0.123CC..EExtended strand (participates in β ladder)trans-128133.1176.9-166.8-177.9175.9115.5-6.6108.8H443 E444 E445 E465 V466 Y488 L497 D499H443-R459 PolarHBondContact CE1-NE 2.78Å; H443-R459 PolarHBondContact CE1-NH2 3.11Å; E444-R459 CarbonylContact O-C 3.56Å; E444-R459 VanDerWaalsContact O-CA 3.26Å; E444-R459 WeakPolarHBondContact O-CA 3.43Å; E444-R459 WeakPolarHBondContact O-CG 3.46Å; E445-R459 HydrophobicContact CB-CG 4.35Å; E445-R459 HydrophobicContact CG-CB 4.35Å; E445-R459 HydrophobicContact CG-CG 4.41Å; E445-R459 IonicContact OE2-CZ 3.38Å; E445-R459 IonicContact OE2-NH1 2.67Å; E445-R459 PolarHBondContact OE2-NH1 3.28Å; R459-E465 CarbonylContact O-C 3.58Å; R459-E465 WeakPolarHBondContact O-CA 3.22Å; R459-V466 PolarHBondContact N-O 2.75Å; R459-V466 PolarHBondContact O-N 3.15Å; R459-Y488 WeakPolarHBondContact CB-OH 3.5Å; R459-Y488 VanDerWaalsContact CD-CZ 3.46Å; R459-Y488 WeakPolarHBondContact CD-OH 3.01Å; R459-L497 PolarHBondContact NH2-O 3.26Å; R459-L497 VanDerWaalsContact NH2-O 3.11Å; R459-D499 IonicContact CZ-OD2 3.78Å; R459-D499 IonicContact NH1-OD2 2.71Å; R459-D499 IonicContact NH2-OD2 2.66Å; R459-D499 PolarHBondContact NH2-OD2 3.29Å
460R89.7Confident86.6Confident19 Ų1919.8 Ų19.87%0.07211%0.106CC..EExtended strand (participates in β ladder)trans-109.2134.2166-173.216957.2-178.9-6.3108.7F435 R438 H443 E444 R464 E465F435-R460 HydrophobicContact CD2-CB 4.29Å; F435-R460 HydrophobicContact CE1-CB 4.28Å; F435-R460 HydrophobicContact CE2-CB 4.03Å; F435-R460 HydrophobicContact CZ-CB 4.03Å; F435-R460 PolarHBondContact O-NH1 3.06Å; F435-R460 PolarHBondContact O-NH2 3.24Å; R438-R460 PolarHBondContact O-NH2 3.2Å; H443-R460 CarbonylContact C-O 3.54Å; H443-R460 VanDerWaalsContact CA-O 3.22Å; H443-R460 WeakPolarHBondContact CA-O 3.47Å; H443-R460 PolarHBondContact ND1-O 3.15Å; E444-R460 PolarHBondContact N-O 3.41Å; E444-R460 PolarHBondContact O-N 3.2Å; E444-R460 IonicContact OE1-NH2 2.8Å; E444-R460 IonicContact OE2-CZ 3.37Å; E444-R460 IonicContact OE2-NH2 2.86Å; E444-R460 PolarHBondContact OE2-NH2 3.1Å; R460-R464 CarbonylContact C-O 3.39Å; R460-R464 VanDerWaalsContact CA-O 3.25Å; R460-R464 WeakPolarHBondContact CA-O 3.42Å; R460-E465 HydrophobicContact CB-CG 4.26Å; R460-E465 HydrophobicContact CG-CG 3.95Å
461S88.2Confident86.5Confident4 Ų423.2 Ų23.23%0.02813%0.127CC..EExtended strand (participates in β ladder)trans-150.7125.6175.3-170.30000110.1W442 G463 R464W442-S461 CarbonylContact O-C 3.56Å; W442-S461 VanDerWaalsContact O-CA 3.29Å; W442-S461 WeakPolarHBondContact O-CA 3.33Å; S461-G463 PolarHBondContact O-N 2.93Å; S461-G463 VanDerWaalsContact O-N 3.16Å; S461-R464 PolarHBondContact N-O 3.24Å; S461-R464 WeakPolarHBondContact O-CB 3.4Å; S461-R464 PolarHBondContact O-N 3.24Å
462N84.7Confident86.2Confident88 Ų8824.1 Ų24.147%0.47113%0.131SC..THydrogen-bonded Turntrans48.742.8-179.2-67.3-19.4000112.7W442 R464W442-N462 PolarHBondContact O-N 3.2Å; N462-R464 PolarHBondContact O-N 3.19Å
463G84.7Confident86Confident34 Ų3429.7 Ų29.735%0.35115%0.151SC..THydrogen-bonded Turntrans77.3-11.6-178.300000115.6P398 S461P398-G463 WeakPolarHBondContact CD-O 3.3Å; P398-G463 WeakPolarHBondContact CG-O 3.1Å; S461-G463 PolarHBondContact O-N 2.93Å; S461-G463 VanDerWaalsContact O-N 3.16Å
464R89.8Confident85.3Confident38 Ų3831.5 Ų31.514%0.14316%0.159CC..EExtended strand (participates in β ladder)trans-82.2144.7174.6-59.6169.3-179.1165.43.5109.9Y395 W396 N397 R460 S461 N462 L495 F496Y395-R464 HydrophobicContact CE2-CB 4.2Å; W396-R464 WeakPolarHBondContact O-CA 3.3Å; N397-R464 HydrophobicContact CB-CG 4.36Å; R460-R464 CarbonylContact C-O 3.39Å; R460-R464 VanDerWaalsContact CA-O 3.25Å; R460-R464 WeakPolarHBondContact CA-O 3.42Å; S461-R464 PolarHBondContact N-O 3.24Å; S461-R464 WeakPolarHBondContact O-CB 3.4Å; S461-R464 PolarHBondContact O-N 3.24Å; N462-R464 PolarHBondContact O-N 3.19Å; R464-L495 PolarHBondContact NH1-O 3.11Å; R464-F496 HydrophobicContact CB-CE1 3.69Å; R464-F496 HydrophobicContact CB-CE2 4.43Å; R464-F496 HydrophobicContact CB-CZ 3.47Å; R464-F496 VanDerWaalsContact CB-CZ 3.47Å
465E92Very high84.1Confident19 Ų1940.8 Ų40.89%0.08920%0.202CC..EExtended strand (participates in β ladder)trans-124.2137.3-178.8-65172.6-172.800109.9Y395 W396 R459 R460 Y467Y395-E465 WeakPolarHBondContact CA-O 3.28Å; W396-E465 HydrophobicContact CB-CB 4.3Å; W396-E465 PolarHBondContact N-O 3.41Å; W396-E465 PolarHBondContact O-N 3.18Å; R459-E465 CarbonylContact O-C 3.58Å; R459-E465 WeakPolarHBondContact O-CA 3.22Å; R460-E465 HydrophobicContact CB-CG 4.26Å; R460-E465 HydrophobicContact CG-CG 3.95Å; E465-Y467 HydrophobicContact CB-CE2 3.89Å; E465-Y467 PolarHBondContact OE2-OH 3Å
466V92.2Very high83.4Confident0 Ų039.9 Ų39.90%020%0.202CC..EExtended strand (participates in β ladder)trans-130.4133.8173.2167.10000108.4I394 Y395 C458 R459 M468 F492 F496I394-V466 CarbonylContact O-C 3.53Å; I394-V466 WeakPolarHBondContact O-CA 3.36Å; Y395-V466 HydrophobicContact CD2-CG2 3.65Å; Y395-V466 HydrophobicContact CE2-CG2 4.5Å; C458-V466 CarbonylContact C-O 3.59Å; C458-V466 WeakPolarHBondContact CA-O 3.4Å; R459-V466 PolarHBondContact N-O 2.75Å; R459-V466 PolarHBondContact O-N 3.15Å; V466-M468 HydrophobicContact CG1-CE 3.98Å; V466-M468 HydrophobicContact CG1-CG 3.51Å; V466-M468 HydrophobicContact CG1-SD 3.85Å; V466-F492 HydrophobicContact CG1-CD2 4.41Å; V466-F492 HydrophobicContact CG1-CE2 3.66Å; V466-F492 HydrophobicContact CG1-CZ 3.85Å; V466-F492 HydrophobicContact CG2-CD1 4.37Å; V466-F492 HydrophobicContact CG2-CD2 4.5Å; V466-F492 HydrophobicContact CG2-CE1 4.01Å; V466-F492 HydrophobicContact CG2-CE2 4.14Å; V466-F492 HydrophobicContact CG2-CZ 3.88Å; V466-F496 HydrophobicContact CB-CE2 4.48Å; V466-F496 HydrophobicContact CB-CZ 4.22Å; V466-F496 HydrophobicContact CG2-CD2 4.2Å; V466-F496 HydrophobicContact CG2-CE1 4.19Å; V466-F496 HydrophobicContact CG2-CE2 3.27Å; V466-F496 HydrophobicContact CG2-CZ 3.28Å
467Y92.9Very high82.8Confident0 Ų044.7 Ų44.70%023%0.227CC..EExtended strand (participates in β ladder)trans-120.4115.3173.5-59.3-102.2000107.1I165 F169 F393 I394 M428 L431 R432 C458 E465I165-Y467 HydrophobicContact CD1-CD1 4.48Å; I165-Y467 HydrophobicContact CD1-CE1 4.15Å; I165-Y467 HydrophobicContact CD1-CE2 4.24Å; F169-Y467 HydrophobicContact CE2-CE2 4.48Å; F169-Y467 HydrophobicContact CZ-CD2 4.4Å; F169-Y467 AromaticContact CZ-CE2 3.69Å; F169-Y467 HydrophobicContact CZ-CE2 3.69Å; F393-Y467 CarbonylContact C-O 3.59Å; F393-Y467 WeakPolarHBondContact CA-O 3.07Å; F393-Y467 WeakPolarHBondContact CB-O 3.49Å; I394-Y467 PolarHBondContact N-O 2.89Å; I394-Y467 PolarHBondContact O-N 3.04Å; M428-Y467 HydrophobicContact CB-CD1 3.91Å; M428-Y467 HydrophobicContact CB-CE1 4.38Å; M428-Y467 HydrophobicContact CB-CG 4.49Å; M428-Y467 HydrophobicContact CG-CD1 3.93Å; M428-Y467 HydrophobicContact CG-CG 4.31Å; M428-Y467 HydrophobicContact SD-CD1 4.49Å; M428-Y467 HydrophobicContact SD-CG 4.28Å; L431-Y467 HydrophobicContact CB-CE1 4.03Å; R432-Y467 WeakPolarHBondContact CA-OH 3.29Å; R432-Y467 VanDerWaalsContact CB-OH 3.27Å; R432-Y467 WeakPolarHBondContact CB-OH 3.45Å; C458-Y467 HydrophobicContact CB-CD1 3.5Å; C458-Y467 VanDerWaalsContact CB-CD1 3.5Å; C458-Y467 HydrophobicContact CB-CE1 3.72Å; C458-Y467 HydrophobicContact CB-CG 4.17Å; E465-Y467 HydrophobicContact CB-CE2 3.89Å; E465-Y467 PolarHBondContact OE2-OH 3Å
468M90.6Very high82.4Confident1 Ų150.4 Ų50.41%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-115.3145.3-177.8-68.2168.4-65.100110.3F393 I456 V457 V466 F470 I484 V487 Y488 F492F393-M468 HydrophobicContact CB-CG 4.05Å; I456-M468 CarbonylContact C-O 3.48Å; I456-M468 VanDerWaalsContact CA-O 3.31Å; I456-M468 WeakPolarHBondContact CA-O 3.31Å; V457-M468 HydrophobicContact CB-CE 4.26Å; V457-M468 HydrophobicContact CG1-CE 4.02Å; V457-M468 PolarHBondContact N-O 3.33Å; V457-M468 PolarHBondContact O-N 3.5Å; V466-M468 HydrophobicContact CG1-CE 3.98Å; V466-M468 HydrophobicContact CG1-CG 3.51Å; V466-M468 HydrophobicContact CG1-SD 3.85Å; M468-F470 HydrophobicContact CB-CD2 4.17Å; M468-F470 HydrophobicContact CB-CE2 3.4Å; M468-F470 HydrophobicContact CB-CZ 3.85Å; M468-F470 HydrophobicContact CE-CE2 4.28Å; M468-F470 HydrophobicContact CE-CZ 4.46Å; M468-F470 HydrophobicContact CG-CE2 4.33Å; M468-F470 HydrophobicContact CG-CZ 4.38Å; M468-F470 HydrophobicContact SD-CE2 4.18Å; M468-F470 HydrophobicContact SD-CZ 3.92Å; M468-I484 HydrophobicContact CE-CG2 4.22Å; M468-V487 HydrophobicContact CG-CG1 4.4Å; M468-V487 HydrophobicContact SD-CB 4.02Å; M468-V487 HydrophobicContact SD-CG1 3.63Å; M468-Y488 HydrophobicContact CE-CE2 3.68Å; M468-Y488 WeakPolarHBondContact CE-OH 3.26Å; M468-Y488 HydrophobicContact SD-CE2 4.38Å; M468-F492 HydrophobicContact CG-CE2 4.46Å; M468-F492 HydrophobicContact SD-CE2 4.23Å
469V87.8Confident81.8Confident14 Ų1456.7 Ų56.79%0.08528%0.281CS..EExtended strand (participates in β ladder)trans-114.3127.7175.6-173.80000108.6R392 L407 I424 M428 W455R392-V469 HydrophobicContact CB-CB 3.93Å; R392-V469 HydrophobicContact CB-CG2 4.34Å; R392-V469 PolarHBondContact O-N 2.63Å; L407-V469 HydrophobicContact CD1-CG2 4.16Å; I424-V469 HydrophobicContact CD1-CG1 4.17Å; I424-V469 HydrophobicContact CG2-CG2 3.57Å; M428-V469 HydrophobicContact CE-CG2 3.45Å; M428-V469 VanDerWaalsContact CE-CG2 3.45Å; W455-V469 CarbonylContact O-C 3.52Å; W455-V469 WeakPolarHBondContact O-CA 3.5Å
470F84Confident81.4Confident14 Ų1456 Ų566%0.06128%0.279CS..EExtended strand (participates in β ladder)trans-123.6133.8179-63.8-82.5000110.8C454 W455 V457 M468 I472 L480 A483 I484 V487C454-F470 WeakPolarHBondContact CA-O 3.45Å; W455-F470 HydrophobicContact CB-CB 4.29Å; W455-F470 PolarHBondContact N-O 2.99Å; W455-F470 PolarHBondContact O-N 3.44Å; V457-F470 HydrophobicContact CB-CD2 4.39Å; V457-F470 HydrophobicContact CB-CE2 4.09Å; V457-F470 HydrophobicContact CG2-CD2 3.78Å; V457-F470 HydrophobicContact CG2-CE2 3.85Å; M468-F470 HydrophobicContact CB-CD2 4.17Å; M468-F470 HydrophobicContact CB-CE2 3.4Å; M468-F470 HydrophobicContact CB-CZ 3.85Å; M468-F470 HydrophobicContact CE-CE2 4.28Å; M468-F470 HydrophobicContact CE-CZ 4.46Å; M468-F470 HydrophobicContact CG-CE2 4.33Å; M468-F470 HydrophobicContact CG-CZ 4.38Å; M468-F470 HydrophobicContact SD-CE2 4.18Å; M468-F470 HydrophobicContact SD-CZ 3.92Å; F470-I472 HydrophobicContact CB-CD1 3.93Å; F470-I472 HydrophobicContact CB-CG1 4.11Å; F470-I472 HydrophobicContact CD1-CD1 4.41Å; F470-I472 HydrophobicContact CG-CD1 4.42Å; F470-L480 HydrophobicContact CB-CD1 3.74Å; F470-L480 HydrophobicContact CD2-CD1 3.67Å; F470-L480 HydrophobicContact CE2-CD1 4.41Å; F470-L480 HydrophobicContact CG-CD1 3.73Å; F470-A483 HydrophobicContact CD1-CB 3.77Å; F470-A483 HydrophobicContact CE1-CB 3.74Å; F470-I484 HydrophobicContact CD2-CG1 4.37Å; F470-I484 HydrophobicContact CE2-CG1 3.61Å; F470-I484 HydrophobicContact CZ-CB 4.32Å; F470-I484 HydrophobicContact CZ-CG1 3.75Å; F470-V487 HydrophobicContact CE1-CG2 3.62Å; F470-V487 HydrophobicContact CZ-CB 4.46Å; F470-V487 HydrophobicContact CZ-CG2 3.82Å
471T79.5Confident81.1Confident79 Ų7960.2 Ų60.249%0.48530%0.299SS..EExtended strand (participates in β ladder)trans-101.480.8175.8460000109.9I375 H453I375-T471 HydrophobicContact CG1-CG2 4.4Å; I375-T471 HydrophobicContact CG2-CG2 3.62Å; H453-T471 CarbonylContact O-C 3.49Å; H453-T471 VanDerWaalsContact O-C 3.24Å; H453-T471 WeakPolarHBondContact O-CA 3.2Å
472I72.9Confident80.9Confident24 Ų2464.4 Ų64.412%0.12332%0.318CS..  trans-124.8129.3-173.4-59.6176.1000110.1H453 F470 S476 K479 L480 A483H453-I472 CarbonylContact C-O 3.58Å; H453-I472 WeakPolarHBondContact CA-O 3.42Å; H453-I472 PolarHBondContact O-N 3.25Å; F470-I472 HydrophobicContact CB-CD1 3.93Å; F470-I472 HydrophobicContact CB-CG1 4.11Å; F470-I472 HydrophobicContact CD1-CD1 4.41Å; F470-I472 HydrophobicContact CG-CD1 4.42Å; I472-S476 VanDerWaalsContact CG2-OG 3.24Å; I472-S476 WeakPolarHBondContact CG2-OG 3.27Å; I472-K479 HydrophobicContact CG2-CB 4.33Å; I472-L480 HydrophobicContact CD1-CB 4Å; I472-L480 HydrophobicContact CD1-CD1 3.77Å; I472-A483 HydrophobicContact CD1-CB 3.82Å
473K69.3Low80.8Confident157 Ų15761.5 Ų61.568%0.68331%0.307SS*.  trans-63.8152.7179.1-65.8-171.9176.5-175.70112.4E475 S476K473-E475 VanDerWaalsContact C-N 3.27Å; K473-E475 PolarHBondContact O-N 3.34Å; K473-S476 PolarHBondContact O-OG 2.96Å
474Q60.8Low80.8Confident115 Ų11560.5 Ų60.554%0.53729%0.293SS..THydrogen-bonded Turntrans-44.4-32.9-168.1-140.5173.912.600117.6S452S452-Q474 PolarHBondContact O-N 3.36Å
475E57.1Low80.5Confident194 Ų19464.6 Ų64.691%0.90731%0.309SS*.THydrogen-bonded Turntrans-948.6-164.9-63.7-174.5164.600115.7K473K473-E475 VanDerWaalsContact C-N 3.27Å; K473-E475 PolarHBondContact O-N 3.34Å
476S71Confident79.9Confident20 Ų2068.5 Ų68.514%0.1433%0.327CS..  trans-135.866.8-16963.90000115.3I472 K473 H478 K479 L480I472-S476 VanDerWaalsContact CG2-OG 3.24Å; I472-S476 WeakPolarHBondContact CG2-OG 3.27Å; K473-S476 PolarHBondContact O-OG 2.96Å; S476-H478 PolarHBondContact O-N 3.44Å; S476-K479 PolarHBondContact O-N 2.94Å; S476-K479 WeakPolarHBondContact OG-CB 3.49Å; S476-K479 WeakPolarHBondContact OG-CD 3.49Å; S476-L480 PolarHBondContact O-N 2.75Å
477L79Confident79.3Confident102 Ų10268.6 Ų68.653%0.53433%0.327SS..Hα-helixtrans-51.7-39.1167-176.466.1000111K479 L480 E481L477-K479 VanDerWaalsContact C-N 3.34Å; L477-K479 PolarHBondContact O-N 3.11Å; L477-L480 HydrophobicContact CD1-CD2 4.14Å; L477-L480 WeakPolarHBondContact O-CA 3.36Å; L477-L480 VanDerWaalsContact O-CB 3.3Å; L477-L480 WeakPolarHBondContact O-CB 3.42Å; L477-L480 PolarHBondContact O-N 2.95Å; L477-E481 PolarHBondContact O-N 3.34Å
478H80.5Confident78.7Confident121 Ų12168.8 Ų68.856%0.5633%0.328SS*.Hα-helixtrans-58.9-41174.1-173.956.3000113.3S476 L480 E481 E482S476-H478 PolarHBondContact O-N 3.44Å; H478-L480 VanDerWaalsContact C-N 3.3Å; H478-L480 PolarHBondContact O-N 3.5Å; H478-E481 PolarHBondContact O-N 3.46Å; H478-E482 IonicContact NE2-OE1 3.44Å; H478-E482 WeakPolarHBondContact O-CG 3.5Å; H478-E482 PolarHBondContact O-N 3.46Å
479K79.8Confident78.1Confident131 Ų13172.6 Ų72.657%0.5735%0.346SS*.Hα-helixtrans-69.9-29.9174.7-66.8-178.2-167.7172.10112I472 S476 L477 A483I472-K479 HydrophobicContact CG2-CB 4.33Å; S476-K479 PolarHBondContact O-N 2.94Å; S476-K479 WeakPolarHBondContact OG-CB 3.49Å; S476-K479 WeakPolarHBondContact OG-CD 3.49Å; L477-K479 VanDerWaalsContact C-N 3.34Å; L477-K479 PolarHBondContact O-N 3.11Å; K479-A483 VanDerWaalsContact O-CB 3.26Å; K479-A483 WeakPolarHBondContact O-CB 3.2Å; K479-A483 PolarHBondContact O-N 2.91Å
480L82.4Confident77.3Confident2 Ų274.6 Ų74.61%0.0136%0.358CS..Hα-helixtrans-64.1-47.7172.6178.966.5000110.1W455 V457 F470 I472 S476 L477 H478 E482 A483 I484W455-L480 HydrophobicContact CB-CD1 4.01Å; W455-L480 HydrophobicContact CB-CD2 4.3Å; W455-L480 HydrophobicContact CD2-CD2 3.72Å; W455-L480 HydrophobicContact CE3-CD2 3.68Å; W455-L480 HydrophobicContact CG-CD1 4.25Å; W455-L480 HydrophobicContact CG-CD2 4.01Å; W455-L480 HydrophobicContact CZ3-CD2 4.21Å; V457-L480 HydrophobicContact CG2-CD1 4.08Å; V457-L480 HydrophobicContact CG2-CD2 4.4Å; F470-L480 HydrophobicContact CB-CD1 3.74Å; F470-L480 HydrophobicContact CD2-CD1 3.67Å; F470-L480 HydrophobicContact CE2-CD1 4.41Å; F470-L480 HydrophobicContact CG-CD1 3.73Å; I472-L480 HydrophobicContact CD1-CB 4Å; I472-L480 HydrophobicContact CD1-CD1 3.77Å; S476-L480 PolarHBondContact O-N 2.75Å; L477-L480 HydrophobicContact CD1-CD2 4.14Å; L477-L480 WeakPolarHBondContact O-CA 3.36Å; L477-L480 VanDerWaalsContact O-CB 3.3Å; L477-L480 WeakPolarHBondContact O-CB 3.42Å; L477-L480 PolarHBondContact O-N 2.95Å; H478-L480 VanDerWaalsContact C-N 3.3Å; H478-L480 PolarHBondContact O-N 3.5Å; L480-E482 PolarHBondContact O-N 3.44Å; L480-A483 PolarHBondContact O-N 3.13Å; L480-I484 HydrophobicContact CD1-CD1 4.21Å; L480-I484 HydrophobicContact CD1-CG1 4.31Å; L480-I484 HydrophobicContact CG-CD1 3.83Å; L480-I484 HydrophobicContact CG-CG1 4.39Å; L480-I484 WeakPolarHBondContact O-CB 3.21Å; L480-I484 WeakPolarHBondContact O-CD1 3.26Å; L480-I484 WeakPolarHBondContact O-CG1 3.33Å; L480-I484 PolarHBondContact O-N 3.12Å
481E84.6Confident76.6Confident108 Ų10874.4 Ų74.451%0.50536%0.358SS..Hα-helixtrans-58.8-44.8174.8-69.7173.4175.200112.4L477 H478 A483 I484 R485L477-E481 PolarHBondContact O-N 3.34Å; H478-E481 PolarHBondContact O-N 3.46Å; E481-A483 VanDerWaalsContact C-N 3.35Å; E481-A483 PolarHBondContact O-N 2.91Å; E481-I484 PolarHBondContact O-N 2.8Å; E481-R485 WeakPolarHBondContact O-CB 3.37Å; E481-R485 PolarHBondContact O-N 2.85Å
482E83.7Confident76.4Confident92 Ų9270.7 Ų70.743%0.4334%0.335SS..Hα-helixtrans-61.1-42.7175.1-73.8-174.9148.100112.3H478 L480 R485 H486H478-E482 IonicContact NE2-OE1 3.44Å; H478-E482 WeakPolarHBondContact O-CG 3.5Å; H478-E482 PolarHBondContact O-N 3.46Å; L480-E482 PolarHBondContact O-N 3.44Å; E482-R485 PolarHBondContact O-N 2.91Å; E482-H486 WeakPolarHBondContact O-CB 3.41Å; E482-H486 PolarHBondContact O-N 3.48Å
483A82.1Confident76.3Confident27 Ų2778.9 Ų78.922%0.22337%0.365CS..Hα-helixtrans-65.3-44.6177.600000111.4F470 I472 K479 L480 E481 R485 H486 V487F470-A483 HydrophobicContact CD1-CB 3.77Å; F470-A483 HydrophobicContact CE1-CB 3.74Å; I472-A483 HydrophobicContact CD1-CB 3.82Å; K479-A483 VanDerWaalsContact O-CB 3.26Å; K479-A483 WeakPolarHBondContact O-CB 3.2Å; K479-A483 PolarHBondContact O-N 2.91Å; L480-A483 PolarHBondContact O-N 3.13Å; E481-A483 VanDerWaalsContact C-N 3.35Å; E481-A483 PolarHBondContact O-N 2.91Å; A483-R485 PolarHBondContact O-N 3.12Å; A483-H486 PolarHBondContact O-N 2.89Å; A483-V487 WeakPolarHBondContact O-CG2 3.22Å; A483-V487 PolarHBondContact O-N 3.01Å
484I83.8Confident76.1Confident12 Ų1274.3 Ų74.36%0.06236%0.361CS..Hα-helixtrans-56.3-51.8175.1-69.3162.6000110V457 M468 F470 L480 E481 H486 V487 Y488V457-I484 HydrophobicContact CB-CD1 4.42Å; V457-I484 HydrophobicContact CG1-CD1 3.93Å; V457-I484 HydrophobicContact CG1-CG1 4.29Å; V457-I484 HydrophobicContact CG2-CD1 3.82Å; V457-I484 HydrophobicContact CG2-CG1 4.13Å; M468-I484 HydrophobicContact CE-CG2 4.22Å; F470-I484 HydrophobicContact CD2-CG1 4.37Å; F470-I484 HydrophobicContact CE2-CG1 3.61Å; F470-I484 HydrophobicContact CZ-CB 4.32Å; F470-I484 HydrophobicContact CZ-CG1 3.75Å; L480-I484 HydrophobicContact CD1-CD1 4.21Å; L480-I484 HydrophobicContact CD1-CG1 4.31Å; L480-I484 HydrophobicContact CG-CD1 3.83Å; L480-I484 HydrophobicContact CG-CG1 4.39Å; L480-I484 WeakPolarHBondContact O-CB 3.21Å; L480-I484 WeakPolarHBondContact O-CD1 3.26Å; L480-I484 WeakPolarHBondContact O-CG1 3.33Å; L480-I484 PolarHBondContact O-N 3.12Å; E481-I484 PolarHBondContact O-N 2.8Å; I484-H486 VanDerWaalsContact C-N 3.3Å; I484-H486 PolarHBondContact O-N 3.5Å; I484-V487 PolarHBondContact O-N 2.97Å; I484-Y488 HydrophobicContact CG2-CD2 3.62Å; I484-Y488 HydrophobicContact CG2-CE2 3.39Å; I484-Y488 WeakPolarHBondContact O-CD2 3.36Å; I484-Y488 PolarHBondContact O-N 3.07Å
485R83.5Confident76.2Confident125 Ų12570.1 Ų70.147%0.47234%0.343SS..Hα-helixtrans-58.3-43.8178.8-175.7175.363.189.8-1.3111.5E481 E482 A483 V487 Y488 E489E481-R485 WeakPolarHBondContact O-CB 3.37Å; E481-R485 PolarHBondContact O-N 2.85Å; E482-R485 PolarHBondContact O-N 2.91Å; A483-R485 PolarHBondContact O-N 3.12Å; R485-V487 PolarHBondContact O-N 2.93Å; R485-Y488 PolarHBondContact O-N 3.47Å; R485-E489 WeakPolarHBondContact CD-OE1 3.36Å; R485-E489 HydrophobicContact CG-CG 4.3Å; R485-E489 VanDerWaalsContact CG-OE1 3.3Å; R485-E489 WeakPolarHBondContact CG-OE1 3.48Å; R485-E489 IonicContact CZ-OE1 3.63Å; R485-E489 IonicContact NH1-OE1 2.69Å; R485-E489 PolarHBondContact NH1-OE1 3.31Å; R485-E489 IonicContact NH1-OE2 2.81Å; R485-E489 PolarHBondContact NH1-OE2 3.25Å; R485-E489 WeakPolarHBondContact O-CB 3.24Å; R485-E489 WeakPolarHBondContact O-CG 3.15Å; R485-E489 PolarHBondContact O-N 3.11Å
486H80.4Confident76.3Confident101 Ų10161.6 Ų61.647%0.46830%0.303SS..Hα-helixtrans-60.8-43.3177.3-174.967.1000112.4E482 A483 I484 Y488 E489 T490E482-H486 WeakPolarHBondContact O-CB 3.41Å; E482-H486 PolarHBondContact O-N 3.48Å; A483-H486 PolarHBondContact O-N 2.89Å; I484-H486 VanDerWaalsContact C-N 3.3Å; I484-H486 PolarHBondContact O-N 3.5Å; H486-Y488 VanDerWaalsContact C-N 3.34Å; H486-Y488 PolarHBondContact O-N 3.42Å; H486-E489 PolarHBondContact O-N 3.46Å; H486-T490 VanDerWaalsContact CE1-CG2 3.46Å; H486-T490 WeakPolarHBondContact CE1-CG2 3.32Å; H486-T490 WeakPolarHBondContact O-CB 3.34Å; H486-T490 WeakPolarHBondContact O-CG2 3.29Å; H486-T490 PolarHBondContact O-N 3.18Å; H486-T490 PolarHBondContact O-OG1 3.42Å
487V79.3Confident75.3Confident2 Ų264.5 Ų64.51%0.01232%0.316CS..Hα-helixtrans-61.6-44176178.60000110.6N391 M468 F470 A483 I484 R485 T490 T491 F492N391-V487 HydrophobicContact CB-CG1 4.42Å; N391-V487 HydrophobicContact CB-CG2 4.07Å; M468-V487 HydrophobicContact CG-CG1 4.4Å; M468-V487 HydrophobicContact SD-CB 4.02Å; M468-V487 HydrophobicContact SD-CG1 3.63Å; F470-V487 HydrophobicContact CE1-CG2 3.62Å; F470-V487 HydrophobicContact CZ-CB 4.46Å; F470-V487 HydrophobicContact CZ-CG2 3.82Å; A483-V487 WeakPolarHBondContact O-CG2 3.22Å; A483-V487 PolarHBondContact O-N 3.01Å; I484-V487 PolarHBondContact O-N 2.97Å; R485-V487 PolarHBondContact O-N 2.93Å; V487-T490 PolarHBondContact O-N 2.76Å; V487-T490 PolarHBondContact O-OG1 2.78Å; V487-T491 WeakPolarHBondContact O-CA 3.18Å; V487-T491 WeakPolarHBondContact O-CB 3.39Å; V487-T491 PolarHBondContact O-N 2.76Å; V487-T491 PolarHBondContact O-OG1 2.9Å; V487-F492 HydrophobicContact CG1-CD2 3.9Å; V487-F492 HydrophobicContact CG1-CE2 3.75Å; V487-F492 PolarHBondContact O-N 3.35Å
488Y81.4Confident73.9Confident3 Ų363 Ų631%0.01231%0.309CS..Hα-helixtrans-65.3-43177.7-78.2-64.1000113.2R459 M468 I484 R485 H486 T490 F492 R493 F496 L498R459-Y488 WeakPolarHBondContact CB-OH 3.5Å; R459-Y488 VanDerWaalsContact CD-CZ 3.46Å; R459-Y488 WeakPolarHBondContact CD-OH 3.01Å; M468-Y488 HydrophobicContact CE-CE2 3.68Å; M468-Y488 WeakPolarHBondContact CE-OH 3.26Å; M468-Y488 HydrophobicContact SD-CE2 4.38Å; I484-Y488 HydrophobicContact CG2-CD2 3.62Å; I484-Y488 HydrophobicContact CG2-CE2 3.39Å; I484-Y488 WeakPolarHBondContact O-CD2 3.36Å; I484-Y488 PolarHBondContact O-N 3.07Å; R485-Y488 PolarHBondContact O-N 3.47Å; H486-Y488 VanDerWaalsContact C-N 3.34Å; H486-Y488 PolarHBondContact O-N 3.42Å; Y488-T490 VanDerWaalsContact C-N 3.3Å; Y488-T490 PolarHBondContact O-N 2.75Å; Y488-F492 HydrophobicContact CD1-CB 3.83Å; Y488-F492 AromaticContact CD1-CD2 3.96Å; Y488-F492 HydrophobicContact CD1-CD2 3.96Å; Y488-F492 HydrophobicContact CD1-CG 4.3Å; Y488-F492 HydrophobicContact CE1-CB 4.45Å; Y488-F492 HydrophobicContact CE1-CD2 4.1Å; Y488-F492 CarbonylContact O-C 3.45Å; Y488-F492 PolarHBondContact O-N 3.48Å; Y488-R493 WeakPolarHBondContact O-CA 3.11Å; Y488-R493 PolarHBondContact O-N 3.48Å; Y488-F496 HydrophobicContact CD1-CB 4.04Å; Y488-F496 HydrophobicContact CD1-CD2 4.4Å; Y488-F496 HydrophobicContact CD1-CG 4.31Å; Y488-F496 HydrophobicContact CE1-CB 4.07Å; Y488-F496 HydrophobicContact CE1-CD1 4.46Å; Y488-F496 HydrophobicContact CE1-CD2 4.09Å; Y488-F496 AromaticContact CE1-CG 3.93Å; Y488-F496 HydrophobicContact CE1-CG 3.93Å; Y488-L498 HydrophobicContact CD2-CD2 3.98Å; Y488-L498 HydrophobicContact CG-CD2 3.85Å; Y488-L498 HydrophobicContact CG-CG 4.46Å
489E76.9Confident72.1Confident82 Ų8265.5 Ų65.538%0.38333%0.326SS..Hα-helixtrans-67.2-30.1179.7-74.2176.3-174.300113R485 H486 R493 L498R485-E489 WeakPolarHBondContact CD-OE1 3.36Å; R485-E489 HydrophobicContact CG-CG 4.3Å; R485-E489 VanDerWaalsContact CG-OE1 3.3Å; R485-E489 WeakPolarHBondContact CG-OE1 3.48Å; R485-E489 IonicContact CZ-OE1 3.63Å; R485-E489 IonicContact NH1-OE1 2.69Å; R485-E489 PolarHBondContact NH1-OE1 3.31Å; R485-E489 IonicContact NH1-OE2 2.81Å; R485-E489 PolarHBondContact NH1-OE2 3.25Å; R485-E489 WeakPolarHBondContact O-CB 3.24Å; R485-E489 WeakPolarHBondContact O-CG 3.15Å; R485-E489 PolarHBondContact O-N 3.11Å; H486-E489 PolarHBondContact O-N 3.46Å; E489-R493 WeakPolarHBondContact O-CB 3.04Å; E489-L498 HydrophobicContact CG-CD1 3.63Å
490T71.3Confident71.7Confident56 Ų5662.3 Ų62.334%0.34431%0.314SS..Hα-helixtrans-96.9-49.5-17755.70000113.2H486 V487 Y488H486-T490 VanDerWaalsContact CE1-CG2 3.46Å; H486-T490 WeakPolarHBondContact CE1-CG2 3.32Å; H486-T490 WeakPolarHBondContact O-CB 3.34Å; H486-T490 WeakPolarHBondContact O-CG2 3.29Å; H486-T490 PolarHBondContact O-N 3.18Å; H486-T490 PolarHBondContact O-OG1 3.42Å; V487-T490 PolarHBondContact O-N 2.76Å; V487-T490 PolarHBondContact O-OG1 2.78Å; Y488-T490 VanDerWaalsContact C-N 3.3Å; Y488-T490 PolarHBondContact O-N 2.75Å
491T70.2Confident71.2Confident10 Ų1065.4 Ų65.46%0.06133%0.33CS..THydrogen-bonded Turntrans-93.7-39.8-169.3-52.70000111.6M337 F393 V487M337-T491 HydrophobicContact CE-CG2 3.23Å; M337-T491 VanDerWaalsContact CE-OG1 3.3Å; M337-T491 WeakPolarHBondContact CE-OG1 2.88Å; F393-T491 HydrophobicContact CD1-CG2 4.31Å; F393-T491 HydrophobicContact CE1-CG2 3.67Å; F393-T491 HydrophobicContact CZ-CG2 3.84Å; V487-T491 WeakPolarHBondContact O-CA 3.18Å; V487-T491 WeakPolarHBondContact O-CB 3.39Å; V487-T491 PolarHBondContact O-N 2.76Å; V487-T491 PolarHBondContact O-OG1 2.9Å
492F74.7Confident70.4Confident1 Ų163.1 Ų63.10%0.00432%0.32CS..SBendtrans-114.823.7-171.9-59.7-63.8000113.5F393 Y395 M404 V466 M468 V487 Y488 G494 L495 F496F393-F492 HydrophobicContact CB-CZ 4.36Å; F393-F492 HydrophobicContact CD1-CZ 4.35Å; F393-F492 HydrophobicContact CD2-CE1 4.2Å; F393-F492 AromaticContact CD2-CZ 3.54Å; F393-F492 HydrophobicContact CD2-CZ 3.54Å; F393-F492 HydrophobicContact CE2-CE1 4.11Å; F393-F492 AromaticContact CE2-CZ 3.84Å; F393-F492 HydrophobicContact CE2-CZ 3.84Å; F393-F492 HydrophobicContact CG-CE2 4.42Å; F393-F492 AromaticContact CG-CZ 3.82Å; F393-F492 HydrophobicContact CG-CZ 3.82Å; F393-F492 HydrophobicContact CZ-CZ 4.38Å; Y395-F492 HydrophobicContact CD2-CE1 4.2Å; Y395-F492 HydrophobicContact CG-CE1 4.26Å; M404-F492 HydrophobicContact CE-CE1 4.07Å; V466-F492 HydrophobicContact CG1-CD2 4.41Å; V466-F492 HydrophobicContact CG1-CE2 3.66Å; V466-F492 HydrophobicContact CG1-CZ 3.85Å; V466-F492 HydrophobicContact CG2-CD1 4.37Å; V466-F492 HydrophobicContact CG2-CD2 4.5Å; V466-F492 HydrophobicContact CG2-CE1 4.01Å; V466-F492 HydrophobicContact CG2-CE2 4.14Å; V466-F492 HydrophobicContact CG2-CZ 3.88Å; M468-F492 HydrophobicContact CG-CE2 4.46Å; M468-F492 HydrophobicContact SD-CE2 4.23Å; V487-F492 HydrophobicContact CG1-CD2 3.9Å; V487-F492 HydrophobicContact CG1-CE2 3.75Å; V487-F492 PolarHBondContact O-N 3.35Å; Y488-F492 HydrophobicContact CD1-CB 3.83Å; Y488-F492 AromaticContact CD1-CD2 3.96Å; Y488-F492 HydrophobicContact CD1-CD2 3.96Å; Y488-F492 HydrophobicContact CD1-CG 4.3Å; Y488-F492 HydrophobicContact CE1-CB 4.45Å; Y488-F492 HydrophobicContact CE1-CD2 4.1Å; Y488-F492 CarbonylContact O-C 3.45Å; Y488-F492 PolarHBondContact O-N 3.48Å; F492-G494 PolarHBondContact O-N 2.84Å; F492-L495 HydrophobicContact CB-CB 4.32Å; F492-L495 HydrophobicContact CD1-CD1 4Å; F492-L495 WeakPolarHBondContact O-CB 3.24Å; F492-L495 PolarHBondContact O-N 3.36Å; F492-F496 HydrophobicContact CB-CD2 3.99Å; F492-F496 HydrophobicContact CD1-CE2 4.39Å; F492-F496 HydrophobicContact CG-CD2 4.35Å; F492-F496 PolarHBondContact O-N 3.48Å
493R69.7Low69.6Low196 Ų19661.4 Ų61.474%0.7431%0.314SS*.THydrogen-bonded Turntrans-58.4122.7-177-165.4178175.8-175.2-0.8110.2Y488 E489 L495Y488-R493 WeakPolarHBondContact O-CA 3.11Å; Y488-R493 PolarHBondContact O-N 3.48Å; E489-R493 WeakPolarHBondContact O-CB 3.04Å; R493-L495 PolarHBondContact O-N 3.45Å
494G66.2Low68.9Low60 Ų6063.5 Ų63.562%0.61932%0.319SS*.THydrogen-bonded Turntrans77.6-8.8-177.400000115.3F492F492-G494 PolarHBondContact O-N 2.84Å
495L62.8Low67.9Low28 Ų2866.9 Ų66.915%0.14734%0.337CS..THydrogen-bonded Turntrans-84.3-30.2174.4-72.9167.1000112.3I341 R464 F492 R493I341-L495 HydrophobicContact CD1-CD2 4.21Å; R464-L495 PolarHBondContact NH1-O 3.11Å; F492-L495 HydrophobicContact CB-CB 4.32Å; F492-L495 HydrophobicContact CD1-CD1 4Å; F492-L495 WeakPolarHBondContact O-CB 3.24Å; F492-L495 PolarHBondContact O-N 3.36Å; R493-L495 PolarHBondContact O-N 3.45Å
496F59.8Low66.7Low14 Ų1462.8 Ų62.86%0.06133%0.327CS..SBendtrans-125.4144.5177.2-71.3-95.1000109.3Y395 R464 V466 Y488 F492 L498Y395-F496 AromaticContact CD2-CE2 3.81Å; Y395-F496 HydrophobicContact CD2-CE2 3.81Å; Y395-F496 HydrophobicContact CD2-CZ 4.03Å; Y395-F496 AromaticContact CE2-CE2 3.57Å; Y395-F496 HydrophobicContact CE2-CE2 3.57Å; Y395-F496 AromaticContact CE2-CZ 3.77Å; Y395-F496 HydrophobicContact CE2-CZ 3.77Å; R464-F496 HydrophobicContact CB-CE1 3.69Å; R464-F496 HydrophobicContact CB-CE2 4.43Å; R464-F496 HydrophobicContact CB-CZ 3.47Å; R464-F496 VanDerWaalsContact CB-CZ 3.47Å; V466-F496 HydrophobicContact CB-CE2 4.48Å; V466-F496 HydrophobicContact CB-CZ 4.22Å; V466-F496 HydrophobicContact CG2-CD2 4.2Å; V466-F496 HydrophobicContact CG2-CE1 4.19Å; V466-F496 HydrophobicContact CG2-CE2 3.27Å; V466-F496 HydrophobicContact CG2-CZ 3.28Å; Y488-F496 HydrophobicContact CD1-CB 4.04Å; Y488-F496 HydrophobicContact CD1-CD2 4.4Å; Y488-F496 HydrophobicContact CD1-CG 4.31Å; Y488-F496 HydrophobicContact CE1-CB 4.07Å; Y488-F496 HydrophobicContact CE1-CD1 4.46Å; Y488-F496 HydrophobicContact CE1-CD2 4.09Å; Y488-F496 AromaticContact CE1-CG 3.93Å; Y488-F496 HydrophobicContact CE1-CG 3.93Å; F492-F496 HydrophobicContact CB-CD2 3.99Å; F492-F496 HydrophobicContact CD1-CE2 4.39Å; F492-F496 HydrophobicContact CG-CD2 4.35Å; F492-F496 PolarHBondContact O-N 3.48Å; F496-L498 PolarHBondContact O-N 3.03Å; F496-L498 VanDerWaalsContact O-N 3.15Å
497L50.1Low65.7Low81 Ų8159.8 Ų59.842%0.42432%0.316SS..  trans-66.5109.6161.3-66.7166.8000106R459R459-L497 PolarHBondContact NH2-O 3.26Å; R459-L497 VanDerWaalsContact NH2-O 3.11Å
498L48.8Very low64.6Low72 Ų7264.7 Ų64.738%0.37734%0.341SS..  trans-71.6125.6156.2-82.3166.4000105.5Y488 E489 F496Y488-L498 HydrophobicContact CD2-CD2 3.98Å; Y488-L498 HydrophobicContact CG-CD2 3.85Å; Y488-L498 HydrophobicContact CG-CG 4.46Å; E489-L498 HydrophobicContact CG-CD1 3.63Å; F496-L498 PolarHBondContact O-N 3.03Å; F496-L498 VanDerWaalsContact O-N 3.15Å
499D42.9Very low63Low173 Ų17370.3 Ų70.393%0.92537%0.371SS*.  trans-60.10172.3-59.9-63.9000111.5H443 R459H443-D499 IonicContact NE2-OD2 3.28Å; R459-D499 IonicContact CZ-OD2 3.78Å; R459-D499 IonicContact NH1-OD2 2.71Å; R459-D499 IonicContact NH2-OD2 2.66Å; R459-D499 PolarHBondContact NH2-OD2 3.29Å

Retrieved 499 of 499 residues in 914.2 ms (Link to these results)

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