A0A5K4FBQ5_SCHMA Loading...

ER lumen protein-retaining receptor

AlphaFold DB , UniProt , Accession A0A5K4FBQ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 135 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
1M82.5Confident86.9Confident116 Ų116118.6 Ų118.657%0.57159%0.594SS**  0-72.60-158.3160.5168.500111.2F3 F5 K6 Y9M1-F3 PolarHBondContact O-N 3.45Å; M1-F5 CarbonylContact O-C 3.58Å; M1-F5 VanDerWaalsContact O-C 3.27Å; M1-K6 PolarHBondContact O-N 3.32Å; M1-Y9 HydrophobicContact CE-CD2 3.12Å; M1-Y9 HydrophobicContact CE-CE2 2.98Å; M1-Y9 HydrophobicContact CE-CG 4.11Å; M1-Y9 HydrophobicContact CG-CD2 4.13Å; M1-Y9 HydrophobicContact CG-CG 4.29Å; M1-Y9 HydrophobicContact SD-CD2 4.44Å
2Y85Confident86.8Confident143 Ų143119.7 Ų119.756%0.56160%0.603SS**THydrogen-bonded Turntrans-70.5-21.3-167.5-61.3-71.1000118.5Y9Y2-Y9 HydrophobicContact CE1-CE1 4.11Å
3F89.2Confident86.7Confident199 Ų199115.7 Ų115.787%0.87358%0.581SS**THydrogen-bonded Turntrans-109.9-71.1-178-60.2-76.5000112.3M1 F5M1-F3 PolarHBondContact O-N 3.45Å; F3-F5 PolarHBondContact O-N 3.21Å
4K89.5Confident87Confident176 Ų176110.4 Ų110.477%0.76556%0.555SS**THydrogen-bonded Turntrans-66.3-36.8-173.7-173.6175.2179.7179.40114.6
5F89.5Confident87.3Confident112 Ų112107.5 Ų107.549%0.49155%0.545SS..THydrogen-bonded Turntrans-120.631.1-172.3-59.1-64.3000111.6M1 F3 A7 T8 Y9M1-F5 CarbonylContact O-C 3.58Å; M1-F5 VanDerWaalsContact O-C 3.27Å; F3-F5 PolarHBondContact O-N 3.21Å; F5-A7 PolarHBondContact O-N 3.46Å; F5-T8 PolarHBondContact O-N 3.12Å; F5-T8 VanDerWaalsContact O-N 3.12Å; F5-T8 PolarHBondContact O-OG1 3.26Å; F5-Y9 PolarHBondContact O-N 3.02Å
6K87.1Confident87.7Confident148 Ų148103 Ų10364%0.64352%0.521SS*.G310 helixtrans-59.6-34.2-178.7-172.8179.5177.3-1780112.1M1 T8 Y9M1-K6 PolarHBondContact O-N 3.32Å; K6-T8 PolarHBondContact O-N 3.19Å; K6-Y9 PolarHBondContact O-N 3.24Å
7A87.7Confident88Confident107 Ų107101.5 Ų101.588%0.88452%0.515SS*.G310 helixtrans-66.6-21.4179.400000113.9F5F5-A7 PolarHBondContact O-N 3.46Å
8T89Confident88.4Confident115 Ų115100.9 Ų100.971%0.70651%0.511SS*.G310 helixtrans-102.33.5178.166.50000112.5F5 K6F5-T8 PolarHBondContact O-N 3.12Å; F5-T8 VanDerWaalsContact O-N 3.12Å; F5-T8 PolarHBondContact O-OG1 3.26Å; K6-T8 PolarHBondContact O-N 3.19Å
9Y87.6Confident88.8Confident58 Ų58102.8 Ų102.823%0.22751%0.513CS..  trans-82.1122.9177.9170.2-132.2000110.3M1 Y2 F5 K6 S11 D14M1-Y9 HydrophobicContact CE-CD2 3.12Å; M1-Y9 HydrophobicContact CE-CE2 2.98Å; M1-Y9 HydrophobicContact CE-CG 4.11Å; M1-Y9 HydrophobicContact CG-CD2 4.13Å; M1-Y9 HydrophobicContact CG-CG 4.29Å; M1-Y9 HydrophobicContact SD-CD2 4.44Å; Y2-Y9 HydrophobicContact CE1-CE1 4.11Å; F5-Y9 PolarHBondContact O-N 3.02Å; K6-Y9 PolarHBondContact O-N 3.24Å; Y9-S11 PolarHBondContact O-N 3.29Å; Y9-D14 HydrophobicContact CE2-CB 3.83Å; Y9-D14 WeakPolarHBondContact CE2-OD2 3.4Å; Y9-D14 PolarHBondContact OH-OD2 2.62Å
10D83.5Confident89.1Confident62 Ų62103.3 Ų103.333%0.33252%0.516SS..  trans-86.781.9176.7-167-14.8000112N12 H13 D14D10-N12 PolarHBondContact O-N 2.69Å; D10-N12 WeakPolarHBondContact OD1-CB 3.45Å; D10-N12 PolarHBondContact OD1-N 3.15Å; D10-N12 VanDerWaalsContact OD1-N 3.1Å; D10-H13 PolarHBondContact O-N 3.26Å; D10-H13 IonicContact OD1-CG 2.68Å; D10-H13 PolarHBondContact OD1-N 3.25Å; D10-H13 IonicContact OD1-ND1 3.38Å; D10-H13 PolarHBondContact OD1-ND1 3.48Å; D10-H13 VanDerWaalsContact OD1-ND1 3.15Å; D10-H13 IonicContact OD2-CE1 3.09Å; D10-H13 IonicContact OD2-CG 3.15Å; D10-H13 IonicContact OD2-ND1 2.79Å; D10-H13 PolarHBondContact OD2-ND1 3.27Å; D10-D14 PolarHBondContact O-N 3.1Å
11S85.2Confident89.5Confident69 Ų6999.3 Ų99.348%0.48350%0.497SS..THydrogen-bonded Turntrans-68.4-13.7175.760.80000113.9Y9Y9-S11 PolarHBondContact O-N 3.29Å
12N86.3Confident90.2Very high131 Ų13196.9 Ų96.970%0.70149%0.486SS*.THydrogen-bonded Turntrans-78.7-28.5-178.9-65.3-37.5000111.7D10 T15D10-N12 PolarHBondContact O-N 2.69Å; D10-N12 WeakPolarHBondContact OD1-CB 3.45Å; D10-N12 PolarHBondContact OD1-N 3.15Å; D10-N12 VanDerWaalsContact OD1-N 3.1Å; N12-T15 WeakPolarHBondContact O-CG2 3.07Å
13H85.4Confident90.8Very high68 Ų6894.5 Ų94.532%0.31548%0.482SS..THydrogen-bonded Turntrans-98.9-28177.9-64.895.7000113.2D10 T15 M60 T64D10-H13 PolarHBondContact O-N 3.26Å; D10-H13 IonicContact OD1-CG 2.68Å; D10-H13 PolarHBondContact OD1-N 3.25Å; D10-H13 IonicContact OD1-ND1 3.38Å; D10-H13 PolarHBondContact OD1-ND1 3.48Å; D10-H13 VanDerWaalsContact OD1-ND1 3.15Å; D10-H13 IonicContact OD2-CE1 3.09Å; D10-H13 IonicContact OD2-CG 3.15Å; D10-H13 IonicContact OD2-ND1 2.79Å; D10-H13 PolarHBondContact OD2-ND1 3.27Å; H13-T15 PolarHBondContact O-N 2.97Å; H13-M60 HydrophobicContact CB-CG 3.98Å; H13-T64 HydrophobicContact CB-CG2 3.89Å
14D90Very high91.2Very high41 Ų4188 Ų8822%0.21946%0.459CS..  trans-80.865.2174.7-170.618.7000112.2Y9 D10 M60Y9-D14 HydrophobicContact CE2-CB 3.83Å; Y9-D14 WeakPolarHBondContact CE2-OD2 3.4Å; Y9-D14 PolarHBondContact OH-OD2 2.62Å; D10-D14 PolarHBondContact O-N 3.1Å; D14-M60 HydrophobicContact CB-SD 4.26Å
15T91.9Very high91.6Very high67 Ų6779.8 Ų79.841%0.41142%0.424SS..  trans-105.915.2-173.877.80000113.4N12 H13 N17 K63N12-T15 WeakPolarHBondContact O-CG2 3.07Å; H13-T15 PolarHBondContact O-N 2.97Å; T15-N17 PolarHBondContact O-N 3.35Å; T15-K63 PolarHBondContact OG1-NZ 3.13Å
16F93.1Very high92Very high36 Ų3678.5 Ų78.516%0.15842%0.422CS..  trans-70.9128.1-176.3-171.5-79.8000109.8M18 L21 M55 P56 F59F16-M18 PolarHBondContact O-N 3.14Å; F16-L21 HydrophobicContact CD1-CD1 4.32Å; F16-L21 HydrophobicContact CE1-CD1 3.67Å; F16-L21 HydrophobicContact CE1-CD2 3.95Å; F16-L21 HydrophobicContact CE1-CG 3.63Å; F16-L21 HydrophobicContact CZ-CD1 4.27Å; F16-L21 HydrophobicContact CZ-CD2 3.92Å; F16-L21 HydrophobicContact CZ-CG 4.14Å; F16-M55 HydrophobicContact CE2-CB 4.28Å; F16-M55 HydrophobicContact CE2-CE 4.38Å; F16-M55 HydrophobicContact CZ-CB 4.17Å; F16-P56 HydrophobicContact CB-CB 3.9Å; F16-P56 HydrophobicContact CB-CG 4.29Å; F16-P56 HydrophobicContact CD1-CB 4.4Å; F16-P56 HydrophobicContact CD1-CG 3.86Å; F16-P56 HydrophobicContact CG-CB 4.2Å; F16-P56 HydrophobicContact CG-CG 4.13Å; F16-F59 HydrophobicContact CB-CD1 3.99Å; F16-F59 HydrophobicContact CD2-CB 3.81Å; F16-F59 HydrophobicContact CD2-CD1 4.04Å; F16-F59 HydrophobicContact CD2-CD2 4.2Å; F16-F59 AromaticContact CD2-CG 3.77Å; F16-F59 HydrophobicContact CD2-CG 3.77Å
17N94Very high92.5Very high77 Ų7776.3 Ų76.341%0.41242%0.417SS..  trans-74.797.1178.6-176.5-7000110.6T15 Y19 L20T15-N17 PolarHBondContact O-N 3.35Å; N17-Y19 PolarHBondContact O-N 2.88Å; N17-Y19 VanDerWaalsContact O-N 3.12Å; N17-Y19 WeakPolarHBondContact OD1-CB 3.42Å; N17-Y19 WeakPolarHBondContact OD1-CD2 3.21Å; N17-Y19 PolarHBondContact OD1-N 2.79Å; N17-Y19 VanDerWaalsContact OD1-N 3.13Å; N17-L20 HydrophobicContact CB-CD1 4.01Å; N17-L20 HydrophobicContact CB-CG 4.11Å; N17-L20 WeakPolarHBondContact O-CB 3.35Å; N17-L20 PolarHBondContact O-N 3.41Å
18M94.4Very high92.9Very high92 Ų9275.2 Ų75.245%0.45340%0.396SS..THydrogen-bonded Turntrans-60-23.2-177.467.7-73-172.600114F16 L20 L21 L22F16-M18 PolarHBondContact O-N 3.14Å; M18-L20 PolarHBondContact O-N 2.68Å; M18-L21 PolarHBondContact O-N 3.01Å; M18-L22 HydrophobicContact CB-CD1 4.48Å; M18-L22 HydrophobicContact CG-CD1 4.12Å; M18-L22 WeakPolarHBondContact O-CG 3.41Å; M18-L22 PolarHBondContact O-N 2.96Å
19Y96Very high93.3Very high137 Ų13769.7 Ų69.754%0.53736%0.362SS..Hα-helixtrans-63.5-26.9176-61.4-66.6000112.5N17 L21 I23N17-Y19 PolarHBondContact O-N 2.88Å; N17-Y19 VanDerWaalsContact O-N 3.12Å; N17-Y19 WeakPolarHBondContact OD1-CB 3.42Å; N17-Y19 WeakPolarHBondContact OD1-CD2 3.21Å; N17-Y19 PolarHBondContact OD1-N 2.79Å; N17-Y19 VanDerWaalsContact OD1-N 3.13Å; Y19-L21 PolarHBondContact O-N 3.42Å; Y19-I23 WeakPolarHBondContact O-CB 3.46Å; Y19-I23 WeakPolarHBondContact O-CG1 3.25Å; Y19-I23 PolarHBondContact O-N 3.13Å
20L96.1Very high93.7Very high111 Ų11170.4 Ų70.458%0.58137%0.369SS*.Hα-helixtrans-66.7-15.7174.3-63.1176.8000113.2N17 M18 P24N17-L20 HydrophobicContact CB-CD1 4.01Å; N17-L20 HydrophobicContact CB-CG 4.11Å; N17-L20 WeakPolarHBondContact O-CB 3.35Å; N17-L20 PolarHBondContact O-N 3.41Å; M18-L20 PolarHBondContact O-N 2.68Å; L20-P24 VanDerWaalsContact O-CD 3.28Å; L20-P24 WeakPolarHBondContact O-CD 3.41Å; L20-P24 VanDerWaalsContact O-CG 3.26Å; L20-P24 WeakPolarHBondContact O-CG 3.21Å
21L97.2Very high94.3Very high20 Ų2073.5 Ų73.511%0.10539%0.39CS..Hα-helixtrans-101.8-49.3174.1-51.3178.2000110.2F16 M18 Y19 I23 P24 S25 L49 V52 M55 P56F16-L21 HydrophobicContact CD1-CD1 4.32Å; F16-L21 HydrophobicContact CE1-CD1 3.67Å; F16-L21 HydrophobicContact CE1-CD2 3.95Å; F16-L21 HydrophobicContact CE1-CG 3.63Å; F16-L21 HydrophobicContact CZ-CD1 4.27Å; F16-L21 HydrophobicContact CZ-CD2 3.92Å; F16-L21 HydrophobicContact CZ-CG 4.14Å; M18-L21 PolarHBondContact O-N 3.01Å; Y19-L21 PolarHBondContact O-N 3.42Å; L21-I23 PolarHBondContact O-N 3.01Å; L21-P24 WeakPolarHBondContact O-CD 3.5Å; L21-S25 VanDerWaalsContact O-CB 3.32Å; L21-S25 WeakPolarHBondContact O-CB 3.48Å; L21-S25 PolarHBondContact O-N 3.13Å; L21-S25 PolarHBondContact O-OG 2.77Å; L21-L49 HydrophobicContact CB-CD1 4.4Å; L21-V52 HydrophobicContact CB-CG2 3.94Å; L21-V52 HydrophobicContact CD1-CG2 4.46Å; L21-V52 HydrophobicContact CD2-CB 4.05Å; L21-V52 HydrophobicContact CD2-CG2 3.99Å; L21-V52 HydrophobicContact CG-CG2 4.31Å; L21-M55 HydrophobicContact CD1-CB 4Å; L21-M55 HydrophobicContact CD2-CB 4.35Å; L21-M55 HydrophobicContact CD2-CG 4.38Å; L21-P56 HydrophobicContact CD1-CG 4.16Å
22L97.4Very high94.8Very high65 Ų6572 Ų7234%0.3438%0.381SS..Hα-helixtrans-60.4-44.7-175.5-69.2171.3000112.5M18 L26 F45 L49M18-L22 HydrophobicContact CB-CD1 4.48Å; M18-L22 HydrophobicContact CG-CD1 4.12Å; M18-L22 WeakPolarHBondContact O-CG 3.41Å; M18-L22 PolarHBondContact O-N 2.96Å; L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 PolarHBondContact O-N 3.42Å; L22-F45 HydrophobicContact CD2-CZ 4.32Å; L22-L49 HydrophobicContact CD2-CD1 3.77Å; L22-L49 HydrophobicContact CD2-CD2 3.81Å; L22-L49 HydrophobicContact CD2-CG 4.47Å
23I97.4Very high95.2Very high94 Ų9467.2 Ų67.248%0.48236%0.356SS..Hα-helixtrans-67.6-52.4-177-63.3170.8000110.6Y19 L21 S25 L26 L27Y19-I23 WeakPolarHBondContact O-CB 3.46Å; Y19-I23 WeakPolarHBondContact O-CG1 3.25Å; Y19-I23 PolarHBondContact O-N 3.13Å; L21-I23 PolarHBondContact O-N 3.01Å; I23-S25 PolarHBondContact O-N 3.16Å; I23-L26 PolarHBondContact O-N 3.35Å; I23-L27 HydrophobicContact CG2-CD1 3.94Å; I23-L27 HydrophobicContact CG2-CG 4.34Å; I23-L27 VanDerWaalsContact O-CG 3.32Å; I23-L27 WeakPolarHBondContact O-CG 3.38Å; I23-L27 PolarHBondContact O-N 3.18Å
24P97.6Very high95.7Very high61 Ų6169.6 Ų69.640%0.39636%0.363SS..Hα-helixtrans-60.5-41.9176.5-27.838.8000113.7L20 L21 L26 L27 L28L20-P24 VanDerWaalsContact O-CD 3.28Å; L20-P24 WeakPolarHBondContact O-CD 3.41Å; L20-P24 VanDerWaalsContact O-CG 3.26Å; L20-P24 WeakPolarHBondContact O-CG 3.21Å; L21-P24 WeakPolarHBondContact O-CD 3.5Å; P24-L26 VanDerWaalsContact C-N 3.32Å; P24-L26 PolarHBondContact O-N 2.95Å; P24-L27 PolarHBondContact O-N 3.24Å; P24-L28 WeakPolarHBondContact O-CB 3.48Å; P24-L28 WeakPolarHBondContact O-CG 3.48Å; P24-L28 PolarHBondContact O-N 2.86Å
25S97.5Very high95.9Very high5 Ų573.9 Ų73.94%0.03538%0.382CS..Hα-helixtrans-63.2-38.5177.4-61.90000112L21 I23 G29 L49L21-S25 VanDerWaalsContact O-CB 3.32Å; L21-S25 WeakPolarHBondContact O-CB 3.48Å; L21-S25 PolarHBondContact O-N 3.13Å; L21-S25 PolarHBondContact O-OG 2.77Å; I23-S25 PolarHBondContact O-N 3.16Å; S25-G29 PolarHBondContact O-N 3.02Å; S25-L49 WeakPolarHBondContact OG-CA 3.32Å
26L97.4Very high96.1Very high84 Ų8478.3 Ų78.344%0.4440%0.396SS..Hα-helixtrans-67.3-45176-178.862.9000111.7L22 I23 P24 L28 G29 L30 F45L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 PolarHBondContact O-N 3.42Å; I23-L26 PolarHBondContact O-N 3.35Å; P24-L26 VanDerWaalsContact C-N 3.32Å; P24-L26 PolarHBondContact O-N 2.95Å; L26-L28 VanDerWaalsContact C-N 3.33Å; L26-L28 PolarHBondContact O-N 2.86Å; L26-G29 PolarHBondContact O-N 3.37Å; L26-L30 HydrophobicContact CG-CD1 4.31Å; L26-L30 WeakPolarHBondContact O-CG 3.33Å; L26-L30 PolarHBondContact O-N 3.09Å; L26-F45 HydrophobicContact CB-CD2 4.05Å; L26-F45 HydrophobicContact CB-CE2 3.93Å; L26-F45 HydrophobicContact CD1-CD2 4.21Å; L26-F45 HydrophobicContact CD1-CE2 4.45Å
27L97.6Very high96.3Very high102 Ų10278.3 Ų78.353%0.53440%0.4SS..Hα-helixtrans-61.7-42.4176.2-69.1175.3000111.4I23 P24 L30 V31I23-L27 HydrophobicContact CG2-CD1 3.94Å; I23-L27 HydrophobicContact CG2-CG 4.34Å; I23-L27 VanDerWaalsContact O-CG 3.32Å; I23-L27 WeakPolarHBondContact O-CG 3.38Å; I23-L27 PolarHBondContact O-N 3.18Å; P24-L27 PolarHBondContact O-N 3.24Å; L27-L30 PolarHBondContact O-N 3.39Å; L27-V31 WeakPolarHBondContact O-CG2 3.38Å; L27-V31 PolarHBondContact O-N 3.03Å
28L96.5Very high96.4Very high84 Ų8480.7 Ų80.744%0.4441%0.412SS..Hα-helixtrans-62.7-44.3173.7-74.8173.4000111.5P24 L26 L30 V31 A32 Y48P24-L28 WeakPolarHBondContact O-CB 3.48Å; P24-L28 WeakPolarHBondContact O-CG 3.48Å; P24-L28 PolarHBondContact O-N 2.86Å; L26-L28 VanDerWaalsContact C-N 3.33Å; L26-L28 PolarHBondContact O-N 2.86Å; L28-L30 PolarHBondContact O-N 3.41Å; L28-V31 PolarHBondContact O-N 2.93Å; L28-A32 WeakPolarHBondContact O-CA 3.41Å; L28-A32 WeakPolarHBondContact O-CB 3.49Å; L28-A32 PolarHBondContact O-N 3.17Å; L28-Y48 HydrophobicContact CB-CD2 3.54Å; L28-Y48 HydrophobicContact CB-CE2 3.73Å; L28-Y48 HydrophobicContact CB-CG 4.01Å; L28-Y48 HydrophobicContact CD1-CD1 4.45Å; L28-Y48 HydrophobicContact CD1-CG 4.41Å
29G96.8Very high96.5Very high0 Ų085.7 Ų85.70%043%0.427CS..Hα-helixtrans-59.9-33.4176.100000113.4S25 L26 N33S25-G29 PolarHBondContact O-N 3.02Å; L26-G29 PolarHBondContact O-N 3.37Å; G29-N33 PolarHBondContact O-ND2 3Å
30L96.5Very high96.5Very high72 Ų7281 Ų8138%0.37741%0.411SS..Hα-helixtrans-77-33.5177.4-71.2167.6000113.6L26 L27 L28 N33 F36 V41L26-L30 HydrophobicContact CG-CD1 4.31Å; L26-L30 WeakPolarHBondContact O-CG 3.33Å; L26-L30 PolarHBondContact O-N 3.09Å; L27-L30 PolarHBondContact O-N 3.39Å; L28-L30 PolarHBondContact O-N 3.41Å; L30-N33 VanDerWaalsContact C-ND2 3.35Å; L30-N33 PolarHBondContact O-ND2 3.02Å; L30-F36 HydrophobicContact CD2-CE2 4.33Å; L30-V41 HydrophobicContact CD2-CG1 3.77Å; L30-V41 HydrophobicContact CG-CG1 4.34Å
31V96.5Very high96.6Very high127 Ų12776.5 Ų76.577%0.7739%0.387SS*.Hα-helixtrans-96.9-37.2-174176.50000112.6L27 L28L27-V31 WeakPolarHBondContact O-CG2 3.38Å; L27-V31 PolarHBondContact O-N 3.03Å; L28-V31 PolarHBondContact O-N 2.93Å
32A95.5Very high96.6Very high37 Ų3780 Ų8031%0.30641%0.406SS..SBendtrans-117.178.3-174.700000110L28 Y48 I102L28-A32 WeakPolarHBondContact O-CA 3.41Å; L28-A32 WeakPolarHBondContact O-CB 3.49Å; L28-A32 PolarHBondContact O-N 3.17Å; A32-Y48 HydrophobicContact CB-CE2 4.41Å; A32-Y48 WeakPolarHBondContact CB-OH 3.24Å; A32-Y48 WeakPolarHBondContact O-CE2 3.17Å; A32-Y48 PolarHBondContact O-OH 3.44Å; A32-I102 WeakPolarHBondContact O-CD1 3.39Å
33N95.4Very high96.7Very high32 Ų3280.9 Ų80.917%0.17141%0.405CS..  trans-131.6163.8173.852.776.3000109.2G29 L30 E35 F36 E40 A44G29-N33 PolarHBondContact O-ND2 3Å; L30-N33 VanDerWaalsContact C-ND2 3.35Å; L30-N33 PolarHBondContact O-ND2 3.02Å; N33-E35 PolarHBondContact OD1-O 3.43Å; N33-F36 PolarHBondContact OD1-N 3.28Å; N33-E40 HydrophobicContact CB-CG 4.22Å; N33-A44 HydrophobicContact CB-CB 4.13Å
34Y95.3Very high96.7Very high117 Ų11776.4 Ų76.446%0.45938%0.382SS..SBendtrans-77.8-29.7178.2-67.1-60.3000113.1E40 W43 D100 Y101 I102Y34-E40 VanDerWaalsContact CD2-OE1 3.28Å; Y34-E40 WeakPolarHBondContact CD2-OE1 3.46Å; Y34-E40 PolarHBondContact N-OE1 3.25Å; Y34-W43 HydrophobicContact CD2-CH2 4.39Å; Y34-W43 AromaticContact CD2-CZ3 3.91Å; Y34-W43 HydrophobicContact CD2-CZ3 3.91Å; Y34-W43 AromaticContact CE2-CH2 3.95Å; Y34-W43 HydrophobicContact CE2-CH2 3.95Å; Y34-W43 AromaticContact CE2-CZ3 3.85Å; Y34-W43 HydrophobicContact CE2-CZ3 3.85Å; Y34-D100 PolarHBondContact OH-OD1 2.93Å; Y34-Y101 PolarHBondContact OH-N 2.89Å; Y34-I102 HydrophobicContact CD2-CD1 3.92Å; Y34-I102 HydrophobicContact CE1-CD1 4.33Å; Y34-I102 HydrophobicContact CE1-CG1 4.43Å; Y34-I102 HydrophobicContact CE2-CB 4.18Å; Y34-I102 HydrophobicContact CE2-CD1 3.66Å; Y34-I102 HydrophobicContact CE2-CG1 3.95Å; Y34-I102 HydrophobicContact CG-CD1 4.35Å; Y34-I102 PolarHBondContact OH-N 3.44Å; Y34-I102 VanDerWaalsContact OH-N 3.08Å
35E94.8Very high96.7Very high132 Ų13275.8 Ų75.862%0.61737%0.373SS*.SBendtrans-148.2137179.8-174-176.4160.200109.4N33 S37 E40N33-E35 PolarHBondContact OD1-O 3.43Å; E35-S37 PolarHBondContact O-N 2.96Å; E35-E40 HydrophobicContact CB-CB 4.44Å; E35-E40 HydrophobicContact CB-CG 4.12Å; E35-E40 VanDerWaalsContact O-CB 3.24Å; E35-E40 WeakPolarHBondContact O-CB 3.32Å; E35-E40 WeakPolarHBondContact O-CG 3.4Å
36F95.3Very high96.7Very high160 Ų16078.2 Ų78.270%0.70239%0.39SS*.  trans-8061.2178.6-160.5-105.1000111.9L30 N33 V41L30-F36 HydrophobicContact CD2-CE2 4.33Å; N33-F36 PolarHBondContact OD1-N 3.28Å; F36-V41 HydrophobicContact CD2-CG2 4.12Å; F36-V41 HydrophobicContact CE2-CG2 4.25Å
37S96.3Very high96.7Very high35 Ų3575.4 Ų75.425%0.24538%0.375CS..SBendtrans-111154.8171.7820000110E35 Y39 E40 V41E35-S37 PolarHBondContact O-N 2.96Å; S37-Y39 VanDerWaalsContact C-N 3.27Å; S37-Y39 PolarHBondContact O-N 3.45Å; S37-E40 PolarHBondContact O-N 3.28Å; S37-E40 VanDerWaalsContact OG-CB 3.28Å; S37-E40 WeakPolarHBondContact OG-CB 3.15Å; S37-E40 PolarHBondContact OG-N 2.9Å; S37-V41 WeakPolarHBondContact O-CB 3.28Å; S37-V41 VanDerWaalsContact O-CG2 3.31Å; S37-V41 WeakPolarHBondContact O-CG2 3.38Å; S37-V41 PolarHBondContact O-N 2.87Å
38L96.3Very high96.7Very high127 Ų12771.8 Ų71.867%0.66535%0.354SS*.Hα-helixtrans-57.7-42.1-180179.363.1000112L42L38-L42 HydrophobicContact CD1-CD1 3.99Å; L38-L42 HydrophobicContact CD1-CG 4.19Å; L38-L42 HydrophobicContact CG-CD1 3.98Å; L38-L42 WeakPolarHBondContact O-CB 3.47Å; L38-L42 WeakPolarHBondContact O-CG 3.35Å; L38-L42 PolarHBondContact O-N 3.44Å
39Y97Very high96.8Very high198 Ų19869.7 Ų69.778%0.77634%0.343SS*.Hα-helixtrans-65.3-43.1-178.9-68.4-72.5000112S37 L42 W43S37-Y39 VanDerWaalsContact C-N 3.27Å; S37-Y39 PolarHBondContact O-N 3.45Å; Y39-L42 PolarHBondContact O-N 3.03Å; Y39-W43 WeakPolarHBondContact O-CB 3.33Å; Y39-W43 PolarHBondContact O-N 3.45Å
40E97Very high96.8Very high39 Ų3973.1 Ų73.118%0.18236%0.36CS..Hα-helixtrans-72.6-40.2-177.4-176.257.4-154.500111.9N33 Y34 E35 S37 L42 W43 A44N33-E40 HydrophobicContact CB-CG 4.22Å; Y34-E40 VanDerWaalsContact CD2-OE1 3.28Å; Y34-E40 WeakPolarHBondContact CD2-OE1 3.46Å; Y34-E40 PolarHBondContact N-OE1 3.25Å; E35-E40 HydrophobicContact CB-CB 4.44Å; E35-E40 HydrophobicContact CB-CG 4.12Å; E35-E40 VanDerWaalsContact O-CB 3.24Å; E35-E40 WeakPolarHBondContact O-CB 3.32Å; E35-E40 WeakPolarHBondContact O-CG 3.4Å; S37-E40 PolarHBondContact O-N 3.28Å; S37-E40 VanDerWaalsContact OG-CB 3.28Å; S37-E40 WeakPolarHBondContact OG-CB 3.15Å; S37-E40 PolarHBondContact OG-N 2.9Å; E40-L42 VanDerWaalsContact C-N 3.35Å; E40-L42 PolarHBondContact O-N 2.96Å; E40-W43 PolarHBondContact O-N 2.96Å; E40-W43 VanDerWaalsContact OE1-CE3 3.28Å; E40-W43 WeakPolarHBondContact OE1-CZ3 3.38Å; E40-A44 WeakPolarHBondContact O-CB 3.44Å; E40-A44 PolarHBondContact O-N 3.05Å
41V97.4Very high96.8Very high15 Ų1570.1 Ų70.19%0.09135%0.345CS..Hα-helixtrans-61.1-43.5172.7169.40000111.2L30 F36 S37 F45L30-V41 HydrophobicContact CD2-CG1 3.77Å; L30-V41 HydrophobicContact CG-CG1 4.34Å; F36-V41 HydrophobicContact CD2-CG2 4.12Å; F36-V41 HydrophobicContact CE2-CG2 4.25Å; S37-V41 WeakPolarHBondContact O-CB 3.28Å; S37-V41 VanDerWaalsContact O-CG2 3.31Å; S37-V41 WeakPolarHBondContact O-CG2 3.38Å; S37-V41 PolarHBondContact O-N 2.87Å; V41-F45 VanDerWaalsContact O-CB 3.23Å; V41-F45 WeakPolarHBondContact O-CB 3.28Å; V41-F45 PolarHBondContact O-N 3.12Å
42L97.7Very high96.8Very high94 Ų9465.5 Ų65.549%0.49232%0.316SS..Hα-helixtrans-66.7-38.6177.4-73.2174.2000112L38 Y39 E40 S46L38-L42 HydrophobicContact CD1-CD1 3.99Å; L38-L42 HydrophobicContact CD1-CG 4.19Å; L38-L42 HydrophobicContact CG-CD1 3.98Å; L38-L42 WeakPolarHBondContact O-CB 3.47Å; L38-L42 WeakPolarHBondContact O-CG 3.35Å; L38-L42 PolarHBondContact O-N 3.44Å; Y39-L42 PolarHBondContact O-N 3.03Å; E40-L42 VanDerWaalsContact C-N 3.35Å; E40-L42 PolarHBondContact O-N 2.96Å; L42-S46 WeakPolarHBondContact O-CB 3.32Å; L42-S46 PolarHBondContact O-N 2.98Å
43W98.2Very high96.9Very high84 Ų8466.4 Ų66.432%0.31832%0.324SS..Hα-helixtrans-63.1-52.4174174.484.8000110.9Y34 Y39 E40 F45 S46 I47 D100 I102Y34-W43 HydrophobicContact CD2-CH2 4.39Å; Y34-W43 AromaticContact CD2-CZ3 3.91Å; Y34-W43 HydrophobicContact CD2-CZ3 3.91Å; Y34-W43 AromaticContact CE2-CH2 3.95Å; Y34-W43 HydrophobicContact CE2-CH2 3.95Å; Y34-W43 AromaticContact CE2-CZ3 3.85Å; Y34-W43 HydrophobicContact CE2-CZ3 3.85Å; Y39-W43 WeakPolarHBondContact O-CB 3.33Å; Y39-W43 PolarHBondContact O-N 3.45Å; E40-W43 PolarHBondContact O-N 2.96Å; E40-W43 VanDerWaalsContact OE1-CE3 3.28Å; E40-W43 WeakPolarHBondContact OE1-CZ3 3.38Å; W43-F45 VanDerWaalsContact C-N 3.34Å; W43-F45 PolarHBondContact O-N 3.3Å; W43-S46 WeakPolarHBondContact O-CB 3.42Å; W43-S46 PolarHBondContact O-N 3.35Å; W43-S46 PolarHBondContact O-OG 3.07Å; W43-I47 HydrophobicContact CD2-CG1 4.3Å; W43-I47 HydrophobicContact CH2-CG1 4.4Å; W43-I47 HydrophobicContact CZ2-CD1 4.39Å; W43-I47 HydrophobicContact CZ2-CG1 3.94Å; W43-I47 WeakPolarHBondContact O-CG1 3.35Å; W43-I47 PolarHBondContact O-N 2.99Å; W43-I47 VanDerWaalsContact O-N 3.09Å; W43-D100 WeakPolarHBondContact CH2-OD2 3.34Å; W43-D100 VanDerWaalsContact CZ2-OD2 3.32Å; W43-D100 WeakPolarHBondContact CZ2-OD2 3.42Å; W43-I102 HydrophobicContact CH2-CB 4.23Å; W43-I102 HydrophobicContact CH2-CG2 4.23Å; W43-I102 HydrophobicContact CZ3-CB 4.3Å; W43-I102 HydrophobicContact CZ3-CD1 4.17Å; W43-I102 HydrophobicContact CZ3-CG2 4.15Å
44A97.7Very high96.8Very high0 Ų065.5 Ų65.50%032%0.319CS..Hα-helixtrans-59-44.2178.100000111.7N33 E40 S46 I47 Y48N33-A44 HydrophobicContact CB-CB 4.13Å; E40-A44 WeakPolarHBondContact O-CB 3.44Å; E40-A44 PolarHBondContact O-N 3.05Å; A44-S46 VanDerWaalsContact C-N 3.31Å; A44-S46 PolarHBondContact O-N 2.71Å; A44-I47 PolarHBondContact O-N 2.97Å; A44-Y48 HydrophobicContact CB-CE2 4.13Å; A44-Y48 WeakPolarHBondContact O-CD2 3.21Å; A44-Y48 PolarHBondContact O-N 3.21Å
45F98Very high96.7Very high47 Ų4762.8 Ų62.821%0.20631%0.311CS..Hα-helixtrans-54.8-45.7172.8168.8-111.5000112.2L22 L26 V41 W43 I47 Y48 L49L22-F45 HydrophobicContact CD2-CZ 4.32Å; L26-F45 HydrophobicContact CB-CD2 4.05Å; L26-F45 HydrophobicContact CB-CE2 3.93Å; L26-F45 HydrophobicContact CD1-CD2 4.21Å; L26-F45 HydrophobicContact CD1-CE2 4.45Å; V41-F45 VanDerWaalsContact O-CB 3.23Å; V41-F45 WeakPolarHBondContact O-CB 3.28Å; V41-F45 PolarHBondContact O-N 3.12Å; W43-F45 VanDerWaalsContact C-N 3.34Å; W43-F45 PolarHBondContact O-N 3.3Å; F45-I47 VanDerWaalsContact C-N 3.34Å; F45-I47 PolarHBondContact O-N 3.42Å; F45-Y48 PolarHBondContact O-N 3.33Å; F45-L49 HydrophobicContact CE1-CD2 4.08Å; F45-L49 HydrophobicContact CE2-CB 4.36Å; F45-L49 HydrophobicContact CE2-CD2 4.35Å; F45-L49 HydrophobicContact CZ-CB 4.46Å; F45-L49 HydrophobicContact CZ-CD2 3.72Å; F45-L49 VanDerWaalsContact O-CB 3.28Å; F45-L49 WeakPolarHBondContact O-CB 3.28Å; F45-L49 PolarHBondContact O-N 3.5Å
46S97.9Very high96.7Very high56 Ų5657.9 Ų57.939%0.39229%0.291SS..Hα-helixtrans-62.2-41.5-179.877.60000112L42 W43 A44 L49 E50L42-S46 WeakPolarHBondContact O-CB 3.32Å; L42-S46 PolarHBondContact O-N 2.98Å; W43-S46 WeakPolarHBondContact O-CB 3.42Å; W43-S46 PolarHBondContact O-N 3.35Å; W43-S46 PolarHBondContact O-OG 3.07Å; A44-S46 VanDerWaalsContact C-N 3.31Å; A44-S46 PolarHBondContact O-N 2.71Å; S46-L49 PolarHBondContact O-N 2.92Å; S46-E50 VanDerWaalsContact O-CB 3.25Å; S46-E50 WeakPolarHBondContact O-CB 3.25Å; S46-E50 PolarHBondContact O-N 3.45Å
47I97.8Very high96.5Very high25 Ų2553.2 Ų53.213%0.12827%0.271CS..Hα-helixtrans-65.5-46.6178.3-63.5-61.5000110.9W43 A44 F45 S51 I102 A106W43-I47 HydrophobicContact CD2-CG1 4.3Å; W43-I47 HydrophobicContact CH2-CG1 4.4Å; W43-I47 HydrophobicContact CZ2-CD1 4.39Å; W43-I47 HydrophobicContact CZ2-CG1 3.94Å; W43-I47 WeakPolarHBondContact O-CG1 3.35Å; W43-I47 PolarHBondContact O-N 2.99Å; W43-I47 VanDerWaalsContact O-N 3.09Å; A44-I47 PolarHBondContact O-N 2.97Å; F45-I47 VanDerWaalsContact C-N 3.34Å; F45-I47 PolarHBondContact O-N 3.42Å; I47-S51 PolarHBondContact O-N 3.29Å; I47-I102 HydrophobicContact CB-CG2 4.39Å; I47-I102 HydrophobicContact CG2-CG2 3.98Å; I47-A106 HydrophobicContact CG2-CB 3.44Å; I47-A106 VanDerWaalsContact CG2-CB 3.44Å
48Y97.9Very high96.3Very high26 Ų2653.1 Ų53.110%0.10227%0.268CS..Hα-helixtrans-65.1-43.1177.2-65.5-47.1000112.5L28 A32 A44 F45 S51 I102 A106L28-Y48 HydrophobicContact CB-CD2 3.54Å; L28-Y48 HydrophobicContact CB-CE2 3.73Å; L28-Y48 HydrophobicContact CB-CG 4.01Å; L28-Y48 HydrophobicContact CD1-CD1 4.45Å; L28-Y48 HydrophobicContact CD1-CG 4.41Å; A32-Y48 HydrophobicContact CB-CE2 4.41Å; A32-Y48 WeakPolarHBondContact CB-OH 3.24Å; A32-Y48 WeakPolarHBondContact O-CE2 3.17Å; A32-Y48 PolarHBondContact O-OH 3.44Å; A44-Y48 HydrophobicContact CB-CE2 4.13Å; A44-Y48 WeakPolarHBondContact O-CD2 3.21Å; A44-Y48 PolarHBondContact O-N 3.21Å; F45-Y48 PolarHBondContact O-N 3.33Å; Y48-S51 PolarHBondContact O-N 3.39Å; Y48-S51 PolarHBondContact O-OG 2.97Å; Y48-I102 HydrophobicContact CE1-CG2 3.89Å; Y48-I102 HydrophobicContact CE2-CG2 4.4Å; Y48-A106 HydrophobicContact CD1-CB 4.46Å
49L98.1Very high96Very high41 Ų4150.6 Ų50.622%0.21525%0.252CS..Hα-helixtrans-65-43.9179-178.461.3000111.2L21 L22 S25 F45 S46 S51 V52 A53L21-L49 HydrophobicContact CB-CD1 4.4Å; L22-L49 HydrophobicContact CD2-CD1 3.77Å; L22-L49 HydrophobicContact CD2-CD2 3.81Å; L22-L49 HydrophobicContact CD2-CG 4.47Å; S25-L49 WeakPolarHBondContact OG-CA 3.32Å; F45-L49 HydrophobicContact CE1-CD2 4.08Å; F45-L49 HydrophobicContact CE2-CB 4.36Å; F45-L49 HydrophobicContact CE2-CD2 4.35Å; F45-L49 HydrophobicContact CZ-CB 4.46Å; F45-L49 HydrophobicContact CZ-CD2 3.72Å; F45-L49 VanDerWaalsContact O-CB 3.28Å; F45-L49 WeakPolarHBondContact O-CB 3.28Å; F45-L49 PolarHBondContact O-N 3.5Å; S46-L49 PolarHBondContact O-N 2.92Å; L49-S51 PolarHBondContact O-N 2.88Å; L49-V52 WeakPolarHBondContact O-CG2 3.26Å; L49-V52 PolarHBondContact O-N 2.97Å; L49-V52 VanDerWaalsContact O-N 3.14Å; L49-A53 WeakPolarHBondContact O-CB 3.38Å; L49-A53 PolarHBondContact O-N 3Å
50E97.3Very high95.7Very high72 Ų7243.5 Ų43.534%0.33623%0.226SC..Hα-helixtrans-59.7-35.8179-167.3-178.4177.800111.7S46 V52 A53 R82 Q110S46-E50 VanDerWaalsContact O-CB 3.25Å; S46-E50 WeakPolarHBondContact O-CB 3.25Å; S46-E50 PolarHBondContact O-N 3.45Å; E50-V52 PolarHBondContact O-N 3.08Å; E50-V52 VanDerWaalsContact O-N 3.16Å; E50-A53 PolarHBondContact O-N 3.38Å; E50-R82 IonicContact OE1-CZ 3.03Å; E50-R82 IonicContact OE1-NE 3.79Å; E50-R82 IonicContact OE1-NH1 3.61Å; E50-R82 PolarHBondContact OE1-NH1 3.15Å; E50-R82 IonicContact OE1-NH2 3.31Å; E50-R82 PolarHBondContact OE1-NH2 3.45Å; E50-R82 IonicContact OE2-CZ 2.68Å; E50-R82 IonicContact OE2-NH1 3.05Å; E50-R82 IonicContact OE2-NH2 3.5Å; E50-R82 PolarHBondContact OE2-NH2 2.91Å; E50-Q110 PolarHBondContact O-NE2 3.24Å
51S96Very high95.2Very high9 Ų942.1 Ų42.16%0.06322%0.22CC..Hα-helixtrans-58.9-29.1179.177.20000113.8I47 Y48 L49 A106 Q110 L113I47-S51 PolarHBondContact O-N 3.29Å; Y48-S51 PolarHBondContact O-N 3.39Å; Y48-S51 PolarHBondContact O-OG 2.97Å; L49-S51 PolarHBondContact O-N 2.88Å; S51-A106 VanDerWaalsContact CB-O 3.28Å; S51-A106 WeakPolarHBondContact CB-O 3.34Å; S51-Q110 WeakPolarHBondContact O-CA 3.28Å; S51-L113 VanDerWaalsContact O-CD1 3.31Å; S51-L113 WeakPolarHBondContact O-CD1 3.21Å
52V97Very high94.7Very high29 Ų2945.1 Ų45.118%0.17624%0.241CC..Hα-helixtrans-116.1-5.2-176.8-62.80000113.6L21 L49 E50 I54 M55 L113L21-V52 HydrophobicContact CB-CG2 3.94Å; L21-V52 HydrophobicContact CD1-CG2 4.46Å; L21-V52 HydrophobicContact CD2-CB 4.05Å; L21-V52 HydrophobicContact CD2-CG2 3.99Å; L21-V52 HydrophobicContact CG-CG2 4.31Å; L49-V52 WeakPolarHBondContact O-CG2 3.26Å; L49-V52 PolarHBondContact O-N 2.97Å; L49-V52 VanDerWaalsContact O-N 3.14Å; E50-V52 PolarHBondContact O-N 3.08Å; E50-V52 VanDerWaalsContact O-N 3.16Å; V52-I54 PolarHBondContact O-N 2.64Å; V52-M55 HydrophobicContact CB-CG 4.34Å; V52-M55 VanDerWaalsContact O-CB 3.24Å; V52-M55 WeakPolarHBondContact O-CB 3.27Å; V52-M55 WeakPolarHBondContact O-CG 3.44Å; V52-M55 PolarHBondContact O-N 2.99Å; V52-L113 HydrophobicContact CG1-CD1 4.33Å
53A96.2Very high94.1Very high56 Ų5645.4 Ų45.446%0.46324%0.239SC..THydrogen-bonded Turntrans-59.8-19.9-173.700000114.2L49 E50 M55 P56L49-A53 WeakPolarHBondContact O-CB 3.38Å; L49-A53 PolarHBondContact O-N 3Å; E50-A53 PolarHBondContact O-N 3.38Å; A53-M55 VanDerWaalsContact C-N 3.33Å; A53-P56 WeakPolarHBondContact O-CD 3.19Å
54I93.9Very high93.4Very high14 Ų1443.9 Ų43.97%0.07224%0.239CC..THydrogen-bonded Turntrans-78.6-15.8177.8-16064.1000113.7V52 P56 Q57 L58 L75 L78 Y114V52-I54 PolarHBondContact O-N 2.64Å; I54-P56 VanDerWaalsContact C-CD 3.46Å; I54-Q57 HydrophobicContact CD1-CB 4.1Å; I54-Q57 HydrophobicContact CD1-CG 4.49Å; I54-Q57 WeakPolarHBondContact O-CB 3.23Å; I54-Q57 PolarHBondContact O-N 2.94Å; I54-L58 HydrophobicContact CG1-CD1 4.45Å; I54-L58 HydrophobicContact CG1-CG 4.13Å; I54-L58 HydrophobicContact CG2-CD1 3.87Å; I54-L58 HydrophobicContact CG2-CG 4.38Å; I54-L58 PolarHBondContact O-N 2.95Å; I54-L58 VanDerWaalsContact O-N 3.08Å; I54-L75 HydrophobicContact CD1-CD2 3.62Å; I54-L75 HydrophobicContact CG1-CD2 4.13Å; I54-L78 HydrophobicContact CD1-CD2 3.96Å; I54-Y114 WeakPolarHBondContact CD1-OH 3.37Å; I54-Y114 HydrophobicContact CG1-CE1 3.91Å; I54-Y114 VanDerWaalsContact CG1-OH 3.28Å; I54-Y114 WeakPolarHBondContact CG1-OH 3.48Å; I54-Y114 HydrophobicContact CG2-CE2 4.23Å
55M93.8Very high92.5Very high59 Ų5944.9 Ų44.929%0.29125%0.249SC..Hα-helixtrans-51.9-43.9-175.3-74.7-73.4-75.800114.2F16 L21 V52 A53 Q57 L58 F59 L113F16-M55 HydrophobicContact CE2-CB 4.28Å; F16-M55 HydrophobicContact CE2-CE 4.38Å; F16-M55 HydrophobicContact CZ-CB 4.17Å; L21-M55 HydrophobicContact CD1-CB 4Å; L21-M55 HydrophobicContact CD2-CB 4.35Å; L21-M55 HydrophobicContact CD2-CG 4.38Å; V52-M55 HydrophobicContact CB-CG 4.34Å; V52-M55 VanDerWaalsContact O-CB 3.24Å; V52-M55 WeakPolarHBondContact O-CB 3.27Å; V52-M55 WeakPolarHBondContact O-CG 3.44Å; V52-M55 PolarHBondContact O-N 2.99Å; A53-M55 VanDerWaalsContact C-N 3.33Å; M55-Q57 VanDerWaalsContact C-N 3.31Å; M55-Q57 PolarHBondContact O-N 3.44Å; M55-L58 PolarHBondContact O-N 3.28Å; M55-F59 WeakPolarHBondContact O-CB 3.25Å; M55-F59 PolarHBondContact O-N 2.72Å; M55-L113 HydrophobicContact CG-CD1 4.13Å; M55-L113 HydrophobicContact SD-CD1 4.11Å; M55-L113 HydrophobicContact SD-CD2 3.69Å
56P93.3Very high91.5Very high30 Ų3047.3 Ų47.320%0.19526%0.261CS..Hα-helixtrans-59.4-40.9177-24.636.2000112.9F16 L21 A53 I54 F59 M60F16-P56 HydrophobicContact CB-CB 3.9Å; F16-P56 HydrophobicContact CB-CG 4.29Å; F16-P56 HydrophobicContact CD1-CB 4.4Å; F16-P56 HydrophobicContact CD1-CG 3.86Å; F16-P56 HydrophobicContact CG-CB 4.2Å; F16-P56 HydrophobicContact CG-CG 4.13Å; L21-P56 HydrophobicContact CD1-CG 4.16Å; A53-P56 WeakPolarHBondContact O-CD 3.19Å; I54-P56 VanDerWaalsContact C-CD 3.46Å; P56-F59 PolarHBondContact O-N 2.99Å; P56-M60 WeakPolarHBondContact O-CB 3.46Å; P56-M60 PolarHBondContact O-N 3.4Å
57Q92.2Very high90.4Very high62 Ų6245.1 Ų45.129%0.2925%0.246SC..Hα-helixtrans-69.5-43-179.7-175.260.763.400111.9I54 M55 F59 M60 I61 L75I54-Q57 HydrophobicContact CD1-CB 4.1Å; I54-Q57 HydrophobicContact CD1-CG 4.49Å; I54-Q57 WeakPolarHBondContact O-CB 3.23Å; I54-Q57 PolarHBondContact O-N 2.94Å; M55-Q57 VanDerWaalsContact C-N 3.31Å; M55-Q57 PolarHBondContact O-N 3.44Å; Q57-F59 VanDerWaalsContact C-N 3.33Å; Q57-M60 PolarHBondContact O-N 3.4Å; Q57-I61 HydrophobicContact CG-CD1 4.36Å; Q57-I61 WeakPolarHBondContact O-CG1 3.47Å; Q57-I61 PolarHBondContact O-N 2.68Å; Q57-I61 VanDerWaalsContact O-N 3.09Å; Q57-L75 HydrophobicContact CG-CD2 4.13Å
58L90.8Very high89.7Confident33 Ų3350.8 Ų50.817%0.17327%0.272CS..Hα-helixtrans-64.3-40.4175.1-66.3179.1000111.2I54 M55 I61 S62 F117I54-L58 HydrophobicContact CG1-CD1 4.45Å; I54-L58 HydrophobicContact CG1-CG 4.13Å; I54-L58 HydrophobicContact CG2-CD1 3.87Å; I54-L58 HydrophobicContact CG2-CG 4.38Å; I54-L58 PolarHBondContact O-N 2.95Å; I54-L58 VanDerWaalsContact O-N 3.08Å; M55-L58 PolarHBondContact O-N 3.28Å; L58-I61 PolarHBondContact O-N 3.22Å; L58-S62 WeakPolarHBondContact O-CB 3.45Å; L58-S62 PolarHBondContact O-N 2.96Å; L58-F117 HydrophobicContact CD2-CB 4.24Å; L58-F117 HydrophobicContact CD2-CD2 4.45Å; L58-F117 HydrophobicContact CD2-CG 4.49Å
59F91.1Very high88.9Confident74 Ų7452.9 Ų52.933%0.32529%0.288SS..Hα-helixtrans-63.9-41.9176.1-178.3-101.1000112.2F16 M55 P56 Q57 S62 K63F16-F59 HydrophobicContact CB-CD1 3.99Å; F16-F59 HydrophobicContact CD2-CB 3.81Å; F16-F59 HydrophobicContact CD2-CD1 4.04Å; F16-F59 HydrophobicContact CD2-CD2 4.2Å; F16-F59 AromaticContact CD2-CG 3.77Å; F16-F59 HydrophobicContact CD2-CG 3.77Å; M55-F59 WeakPolarHBondContact O-CB 3.25Å; M55-F59 PolarHBondContact O-N 2.72Å; P56-F59 PolarHBondContact O-N 2.99Å; Q57-F59 VanDerWaalsContact C-N 3.33Å; F59-S62 WeakPolarHBondContact O-CB 3.43Å; F59-S62 PolarHBondContact O-N 2.93Å; F59-K63 HydrophobicContact CD1-CD 4.17Å; F59-K63 HydrophobicContact CE1-CD 3.58Å; F59-K63 HydrophobicContact CE1-CG 4.24Å; F59-K63 HydrophobicContact CZ-CD 3.97Å; F59-K63 HydrophobicContact CZ-CG 4.39Å; F59-K63 PolarHBondContact O-N 3.1Å
60M89.9Confident88.2Confident48 Ų4857.4 Ų57.424%0.23631%0.311CS..Hα-helixtrans-61.3-47175.9-169-176.1107.500111.1H13 D14 P56 Q57 S62 K63 T64H13-M60 HydrophobicContact CB-CG 3.98Å; D14-M60 HydrophobicContact CB-SD 4.26Å; P56-M60 WeakPolarHBondContact O-CB 3.46Å; P56-M60 PolarHBondContact O-N 3.4Å; Q57-M60 PolarHBondContact O-N 3.4Å; M60-S62 VanDerWaalsContact C-N 3.29Å; M60-S62 PolarHBondContact O-N 3.16Å; M60-K63 PolarHBondContact O-N 2.65Å; M60-K63 VanDerWaalsContact O-N 3.13Å; M60-T64 HydrophobicContact CG-CG2 4.45Å; M60-T64 WeakPolarHBondContact O-CG2 3.31Å; M60-T64 PolarHBondContact O-N 2.92Å; M60-T64 PolarHBondContact O-OG1 3.39Å; M60-T64 VanDerWaalsContact O-OG1 3.13Å
61I88.2Confident87.7Confident10 Ų1055.6 Ų55.65%0.05131%0.305CS..Hα-helixtrans-61.6-39.6176.4-70.9166.8000111.2Q57 L58 K63 T64 G65 A67 T71 L75 L131Q57-I61 HydrophobicContact CG-CD1 4.36Å; Q57-I61 WeakPolarHBondContact O-CG1 3.47Å; Q57-I61 PolarHBondContact O-N 2.68Å; Q57-I61 VanDerWaalsContact O-N 3.09Å; L58-I61 PolarHBondContact O-N 3.22Å; I61-K63 VanDerWaalsContact C-N 3.29Å; I61-K63 PolarHBondContact O-N 3.03Å; I61-T64 PolarHBondContact O-OG1 2.84Å; I61-G65 PolarHBondContact O-N 3.41Å; I61-A67 HydrophobicContact CD1-CB 3.98Å; I61-A67 HydrophobicContact CG1-CB 4.07Å; I61-A67 HydrophobicContact CG2-CB 3.82Å; I61-T71 HydrophobicContact CD1-CG2 4.22Å; I61-L75 HydrophobicContact CD1-CD1 3.33Å; I61-L131 HydrophobicContact CG2-CD2 4.35Å
62S85.9Confident87.3Confident78 Ų7855.2 Ų55.255%0.54530%0.302SS..Hα-helixtrans-61.5-39.2175.6-178.30000112.1L58 F59 M60 L133L58-S62 WeakPolarHBondContact O-CB 3.45Å; L58-S62 PolarHBondContact O-N 2.96Å; F59-S62 WeakPolarHBondContact O-CB 3.43Å; F59-S62 PolarHBondContact O-N 2.93Å; M60-S62 VanDerWaalsContact C-N 3.29Å; M60-S62 PolarHBondContact O-N 3.16Å; S62-L133 VanDerWaalsContact CA-CD1 3.49Å
63K84.5Confident87Confident101 Ų10158.1 Ų58.144%0.43931%0.314SS..Hα-helixtrans-74.2-44177.9-82.4-169.4160.5-172.40114.2T15 F59 M60 I61 G65T15-K63 PolarHBondContact OG1-NZ 3.13Å; F59-K63 HydrophobicContact CD1-CD 4.17Å; F59-K63 HydrophobicContact CE1-CD 3.58Å; F59-K63 HydrophobicContact CE1-CG 4.24Å; F59-K63 HydrophobicContact CZ-CD 3.97Å; F59-K63 HydrophobicContact CZ-CG 4.39Å; F59-K63 PolarHBondContact O-N 3.1Å; M60-K63 PolarHBondContact O-N 2.65Å; M60-K63 VanDerWaalsContact O-N 3.13Å; I61-K63 VanDerWaalsContact C-N 3.29Å; I61-K63 PolarHBondContact O-N 3.03Å; K63-G65 PolarHBondContact O-N 3.31Å
64T85.1Confident86.8Confident51 Ų5162 Ų6231%0.31332%0.317SS..Hα-helixtrans-72.1-20.3179.855.60000111.5H13 M60 I61 E66H13-T64 HydrophobicContact CB-CG2 3.89Å; M60-T64 HydrophobicContact CG-CG2 4.45Å; M60-T64 WeakPolarHBondContact O-CG2 3.31Å; M60-T64 PolarHBondContact O-N 2.92Å; M60-T64 PolarHBondContact O-OG1 3.39Å; M60-T64 VanDerWaalsContact O-OG1 3.13Å; I61-T64 PolarHBondContact O-OG1 2.84Å; T64-E66 PolarHBondContact O-N 2.94Å; T64-E66 VanDerWaalsContact O-N 3.14Å; T64-E66 PolarHBondContact OG1-O 2.95Å
65G78.5Confident86.8Confident21 Ų2161.4 Ų61.422%0.21631%0.314CS..SBendtrans72.4-1.5-178.700000113.4I61 K63 R132 L133I61-G65 PolarHBondContact O-N 3.41Å; K63-G65 PolarHBondContact O-N 3.31Å; G65-R132 CarbonylContact O-C 3.26Å; G65-R132 VanDerWaalsContact O-CA 3.25Å; G65-R132 WeakPolarHBondContact O-CA 3.28Å; G65-L133 PolarHBondContact O-N 3.41Å
66E75.9Confident86.7Confident99 Ų9961.7 Ų61.746%0.46331%0.314SS..EExtended strand (participates in β ladder)trans-138.4135.3-177.5-56.1-163.9151.200110.4T64 L131 R132T64-E66 PolarHBondContact O-N 2.94Å; T64-E66 VanDerWaalsContact O-N 3.14Å; T64-E66 PolarHBondContact OG1-O 2.95Å; E66-L131 WeakPolarHBondContact CA-O 3.35Å; E66-R132 HydrophobicContact CG-CG 4.2Å; E66-R132 IonicContact OE1-CZ 3.62Å; E66-R132 IonicContact OE1-NE 2.69Å; E66-R132 PolarHBondContact OE1-NE 3.21Å; E66-R132 IonicContact OE1-NH2 3.56Å; E66-R132 PolarHBondContact OE1-NH2 3.13Å
67A76Confident86.7Confident10 Ų1063.1 Ų63.18%0.08333%0.328CS..EExtended strand (participates in β ladder)trans-114127.4163.300000109.5I61 L131I61-A67 HydrophobicContact CD1-CB 3.98Å; I61-A67 HydrophobicContact CG1-CB 4.07Å; I61-A67 HydrophobicContact CG2-CB 3.82Å; A67-L131 HydrophobicContact CB-CB 4.32Å; A67-L131 HydrophobicContact CB-CD2 4.04Å; A67-L131 PolarHBondContact N-O 3.48Å; A67-L131 VanDerWaalsContact N-O 3.17Å
68E81.5Confident86.8Confident144 Ų14462.6 Ų62.667%0.67333%0.327SS*.  trans-54.8147.1171-63.1-177.8158.400110.6I70 T71 S72E68-I70 PolarHBondContact O-N 3.06Å; E68-T71 PolarHBondContact O-N 3.45Å; E68-T71 VanDerWaalsContact O-N 3.16Å; E68-S72 WeakPolarHBondContact O-CB 3.42Å; E68-S72 PolarHBondContact O-N 3.48Å; E68-S72 PolarHBondContact O-OG 2.94Å
69T81.3Confident86.9Confident69 Ų6961 Ų6142%0.42332%0.319SS..Hα-helixtrans-57-39.7-178.9-44.60000111.9S72 H73 V125T69-S72 WeakPolarHBondContact O-CB 3.17Å; T69-S72 PolarHBondContact O-N 3.31Å; T69-H73 PolarHBondContact O-CD2 2.85Å; T69-H73 PolarHBondContact O-N 2.99Å; T69-V125 HydrophobicContact CG2-CG1 4.34Å
70I84.5Confident87Confident136 Ų13659 Ų5970%0.69731%0.314SS*.Hα-helixtrans-64.6-48.3178-61.5176.1000110.8E68 S72 H73 Y74E68-I70 PolarHBondContact O-N 3.06Å; I70-S72 PolarHBondContact O-N 3.29Å; I70-H73 PolarHBondContact O-N 2.91Å; I70-Y74 PolarHBondContact O-N 3.46Å
71T86.8Confident87.2Confident35 Ų3560.7 Ų60.722%0.21532%0.318CS..Hα-helixtrans-58.8-39175.7-59.80000111.2I61 E68 Y74 L75I61-T71 HydrophobicContact CD1-CG2 4.22Å; E68-T71 PolarHBondContact O-N 3.45Å; E68-T71 VanDerWaalsContact O-N 3.16Å; T71-Y74 WeakPolarHBondContact O-CB 3.19Å; T71-Y74 PolarHBondContact O-N 3.37Å; T71-L75 HydrophobicContact CG2-CD1 4.25Å; T71-L75 WeakPolarHBondContact O-CG 3.37Å; T71-L75 PolarHBondContact O-N 3.24Å
72S87.5Confident87.4Confident0 Ų060.9 Ų60.90%032%0.318CS..Hα-helixtrans-62.5-45.7175.8-62.80000112.2E68 T69 I70 Y74 L75 F76 F117E68-S72 WeakPolarHBondContact O-CB 3.42Å; E68-S72 PolarHBondContact O-N 3.48Å; E68-S72 PolarHBondContact O-OG 2.94Å; T69-S72 WeakPolarHBondContact O-CB 3.17Å; T69-S72 PolarHBondContact O-N 3.31Å; I70-S72 PolarHBondContact O-N 3.29Å; S72-Y74 PolarHBondContact O-N 2.91Å; S72-L75 PolarHBondContact O-N 3.09Å; S72-F76 WeakPolarHBondContact O-CB 3.49Å; S72-F76 PolarHBondContact O-N 2.89Å; S72-F117 VanDerWaalsContact O-CZ 3.28Å; S72-F117 WeakPolarHBondContact O-CZ 3.43Å
73H91.4Very high87.7Confident91 Ų9158.3 Ų58.342%0.42130%0.302SS..Hα-helixtrans-63.3-40.6175.1-69.8-53.4000112.6T69 I70 F76 A77 Y121T69-H73 PolarHBondContact O-CD2 2.85Å; T69-H73 PolarHBondContact O-N 2.99Å; I70-H73 PolarHBondContact O-N 2.91Å; H73-F76 PolarHBondContact O-N 3.37Å; H73-A77 PolarHBondContact O-N 3.03Å; H73-Y121 PolarHBondContact CE1-OH 3.45Å; H73-Y121 AromaticContact ND1-CE2 3.79Å; H73-Y121 AromaticContact ND1-CZ 3.65Å; H73-Y121 PolarHBondContact ND1-OH 3.4Å
74Y92Very high88.2Confident138 Ų13858.9 Ų58.954%0.54131%0.309SS..Hα-helixtrans-58.7-51.1175.9164.5-103.9000111.6I70 T71 S72 F76 A77 L78I70-Y74 PolarHBondContact O-N 3.46Å; T71-Y74 WeakPolarHBondContact O-CB 3.19Å; T71-Y74 PolarHBondContact O-N 3.37Å; S72-Y74 PolarHBondContact O-N 2.91Å; Y74-F76 VanDerWaalsContact C-N 3.31Å; Y74-F76 PolarHBondContact O-N 3.48Å; Y74-A77 PolarHBondContact O-N 2.98Å; Y74-L78 HydrophobicContact CE1-CD2 4.29Å; Y74-L78 WeakPolarHBondContact O-CB 3.5Å; Y74-L78 PolarHBondContact O-N 3.18Å
75L92.2Very high88.6Confident0 Ų061.1 Ų61.10%031%0.313CS..Hα-helixtrans-62.5-38.8178-71.1175.9000112.2I54 Q57 I61 T71 S72 L78 G79 Y114 F117I54-L75 HydrophobicContact CD1-CD2 3.62Å; I54-L75 HydrophobicContact CG1-CD2 4.13Å; Q57-L75 HydrophobicContact CG-CD2 4.13Å; I61-L75 HydrophobicContact CD1-CD1 3.33Å; T71-L75 HydrophobicContact CG2-CD1 4.25Å; T71-L75 WeakPolarHBondContact O-CG 3.37Å; T71-L75 PolarHBondContact O-N 3.24Å; S72-L75 PolarHBondContact O-N 3.09Å; L75-L78 PolarHBondContact O-N 3.06Å; L75-G79 PolarHBondContact O-N 3.32Å; L75-Y114 HydrophobicContact CD2-CE1 4.49Å; L75-F117 HydrophobicContact CB-CD1 4.06Å; L75-F117 HydrophobicContact CB-CD2 4.45Å; L75-F117 HydrophobicContact CB-CE1 3.48Å; L75-F117 VanDerWaalsContact CB-CE1 3.48Å; L75-F117 HydrophobicContact CB-CE2 3.92Å; L75-F117 HydrophobicContact CB-CZ 3.43Å; L75-F117 VanDerWaalsContact CB-CZ 3.43Å; L75-F117 HydrophobicContact CD1-CD2 3.98Å; L75-F117 HydrophobicContact CD1-CE2 3.59Å; L75-F117 HydrophobicContact CD1-CZ 3.99Å; L75-F117 HydrophobicContact CG-CE2 4.42Å; L75-F117 HydrophobicContact CG-CZ 4.35Å
76F92Very high89.4Confident65 Ų6561.9 Ų61.929%0.28531%0.312SS..Hα-helixtrans-62-46.6176.6-179.3-97.3000111.7S72 H73 Y74 S80 F117 F118 Y121S72-F76 WeakPolarHBondContact O-CB 3.49Å; S72-F76 PolarHBondContact O-N 2.89Å; H73-F76 PolarHBondContact O-N 3.37Å; Y74-F76 VanDerWaalsContact C-N 3.31Å; Y74-F76 PolarHBondContact O-N 3.48Å; F76-S80 VanDerWaalsContact O-CB 3.25Å; F76-S80 WeakPolarHBondContact O-CB 3.36Å; F76-S80 PolarHBondContact O-N 3.16Å; F76-S80 PolarHBondContact O-OG 3.14Å; F76-F117 HydrophobicContact CB-CE1 4.16Å; F76-F118 AromaticContact CD2-CD1 3.76Å; F76-F118 HydrophobicContact CD2-CD1 3.76Å; F76-F118 AromaticContact CD2-CE1 3.94Å; F76-F118 HydrophobicContact CD2-CE1 3.94Å; F76-F118 HydrophobicContact CE2-CD1 4.13Å; F76-F118 HydrophobicContact CE2-CE1 4.35Å; F76-Y121 HydrophobicContact CB-CD1 4.27Å; F76-Y121 HydrophobicContact CB-CD2 4.19Å; F76-Y121 HydrophobicContact CB-CE1 4.01Å; F76-Y121 HydrophobicContact CB-CE2 3.93Å; F76-Y121 HydrophobicContact CB-CG 4.35Å; F76-Y121 HydrophobicContact CD1-CE1 4.07Å; F76-Y121 AromaticContact CD2-CD1 3.35Å; F76-Y121 HydrophobicContact CD2-CD1 3.35Å; F76-Y121 AromaticContact CD2-CE1 3.41Å; F76-Y121 HydrophobicContact CD2-CE1 3.41Å; F76-Y121 VanDerWaalsContact CD2-CE1 3.41Å; F76-Y121 HydrophobicContact CD2-CG 4.02Å; F76-Y121 HydrophobicContact CE1-CE1 4.44Å; F76-Y121 AromaticContact CE2-CD1 3.85Å; F76-Y121 HydrophobicContact CE2-CD1 3.85Å; F76-Y121 AromaticContact CE2-CE1 3.85Å; F76-Y121 HydrophobicContact CE2-CE1 3.85Å; F76-Y121 AromaticContact CG-CD1 3.9Å; F76-Y121 HydrophobicContact CG-CD1 3.9Å; F76-Y121 AromaticContact CG-CE1 3.54Å; F76-Y121 HydrophobicContact CG-CE1 3.54Å; F76-Y121 HydrophobicContact CG-CE2 4.37Å; F76-Y121 HydrophobicContact CG-CG 4.44Å; F76-Y121 AromaticContact CG-CZ 3.79Å; F76-Y121 HydrophobicContact CZ-CE1 4.34Å
77A94.1Very high90.3Very high61 Ų6163.7 Ų63.750%0.50432%0.318SS..Hα-helixtrans-63.8-43177.300000111.9H73 Y74 S80 Y81H73-A77 PolarHBondContact O-N 3.03Å; Y74-A77 PolarHBondContact O-N 2.98Å; A77-S80 PolarHBondContact O-N 3.28Å; A77-Y81 PolarHBondContact O-N 3.36Å
78L93.1Very high91.2Very high50 Ų5066.7 Ų66.726%0.26233%0.333SS..Hα-helixtrans-64.2-45.1179.9-17462.9000112.2I54 Y74 L75 Y81 Y114I54-L78 HydrophobicContact CD1-CD2 3.96Å; Y74-L78 HydrophobicContact CE1-CD2 4.29Å; Y74-L78 WeakPolarHBondContact O-CB 3.5Å; Y74-L78 PolarHBondContact O-N 3.18Å; L75-L78 PolarHBondContact O-N 3.06Å; L78-Y81 WeakPolarHBondContact O-CB 3.38Å; L78-Y114 WeakPolarHBondContact CD2-OH 3.33Å; L78-Y114 WeakPolarHBondContact CG-OH 3.28Å
79G93.3Very high91.8Very high0 Ų061.3 Ų61.30%031%0.307CS..Hα-helixtrans-65-41.4173.700000111.9L75 Y81 R82 A83 F118L75-G79 PolarHBondContact O-N 3.32Å; G79-Y81 VanDerWaalsContact C-N 3.29Å; G79-Y81 PolarHBondContact O-N 3.36Å; G79-R82 PolarHBondContact O-N 3.18Å; G79-A83 PolarHBondContact O-N 3.28Å; G79-F118 VanDerWaalsContact C-CZ 3.41Å
80S93.6Very high92.4Very high33 Ų3363 Ų6323%0.23131%0.312CS..Hα-helixtrans-62.4-38.5-178.9-640000111.5F76 A77 R82 A83 L84F76-S80 VanDerWaalsContact O-CB 3.25Å; F76-S80 WeakPolarHBondContact O-CB 3.36Å; F76-S80 PolarHBondContact O-N 3.16Å; F76-S80 PolarHBondContact O-OG 3.14Å; A77-S80 PolarHBondContact O-N 3.28Å; S80-R82 PolarHBondContact O-N 3.38Å; S80-A83 PolarHBondContact O-N 3.42Å; S80-L84 WeakPolarHBondContact O-CG 3.39Å; S80-L84 PolarHBondContact O-N 2.85Å
81Y93.9Very high93Very high82 Ų8262.7 Ų62.732%0.32230%0.303SS..Hα-helixtrans-52.1-43.6171.3150.5-106.7000111.8A77 L78 G79 L84 Y85A77-Y81 PolarHBondContact O-N 3.36Å; L78-Y81 WeakPolarHBondContact O-CB 3.38Å; G79-Y81 VanDerWaalsContact C-N 3.29Å; G79-Y81 PolarHBondContact O-N 3.36Å; Y81-L84 PolarHBondContact O-N 3.48Å; Y81-Y85 AromaticContact CD2-CD2 3.98Å; Y81-Y85 HydrophobicContact CD2-CD2 3.98Å; Y81-Y85 AromaticContact CD2-CE2 3.76Å; Y81-Y85 HydrophobicContact CD2-CE2 3.76Å; Y81-Y85 AromaticContact CE2-CD2 3.61Å; Y81-Y85 HydrophobicContact CE2-CD2 3.61Å; Y81-Y85 AromaticContact CE2-CE2 3.1Å; Y81-Y85 HydrophobicContact CE2-CE2 3.1Å; Y81-Y85 AromaticContact CE2-CZ 3.66Å; Y81-Y85 AromaticContact CZ-CE2 3.84Å; Y81-Y85 WeakPolarHBondContact O-CD2 3.45Å; Y81-Y85 PolarHBondContact O-N 3.34Å
82R91.4Very high93.4Very high14 Ų1464.7 Ų64.75%0.05331%0.306CS..Hα-helixtrans-74.2-37.2178.9-70.3-56.2-149.5-179.135113.8E50 G79 S80 L84 Y85 L86 Q110E50-R82 IonicContact OE1-CZ 3.03Å; E50-R82 IonicContact OE1-NE 3.79Å; E50-R82 IonicContact OE1-NH1 3.61Å; E50-R82 PolarHBondContact OE1-NH1 3.15Å; E50-R82 IonicContact OE1-NH2 3.31Å; E50-R82 PolarHBondContact OE1-NH2 3.45Å; E50-R82 IonicContact OE2-CZ 2.68Å; E50-R82 IonicContact OE2-NH1 3.05Å; E50-R82 IonicContact OE2-NH2 3.5Å; E50-R82 PolarHBondContact OE2-NH2 2.91Å; G79-R82 PolarHBondContact O-N 3.18Å; S80-R82 PolarHBondContact O-N 3.38Å; R82-L84 PolarHBondContact O-N 3.33Å; R82-Y85 WeakPolarHBondContact O-CB 3.33Å; R82-Y85 PolarHBondContact O-N 3.02Å; R82-Y85 VanDerWaalsContact O-N 3.07Å; R82-L86 PolarHBondContact O-N 3.43Å; R82-L86 VanDerWaalsContact O-N 3.13Å; R82-Q110 HydrophobicContact CG-CG 4.22Å; R82-Q110 VanDerWaalsContact NE-CD 3.28Å
83A93Very high93.7Very high25 Ų2571 Ų7121%0.20733%0.331CS..Hα-helixtrans-59.8-38.3171.700000111.6G79 S80 Y85 L86 F87 T111G79-A83 PolarHBondContact O-N 3.28Å; S80-A83 PolarHBondContact O-N 3.42Å; A83-Y85 VanDerWaalsContact C-N 3.31Å; A83-Y85 PolarHBondContact O-N 2.9Å; A83-L86 WeakPolarHBondContact O-CB 3.38Å; A83-L86 PolarHBondContact O-N 2.66Å; A83-F87 VanDerWaalsContact O-CD2 3.23Å; A83-F87 WeakPolarHBondContact O-CD2 3.39Å; A83-F87 PolarHBondContact O-N 3.04Å; A83-T111 HydrophobicContact CB-CG2 4.47Å
84L95.4Very high93.9Very high112 Ų11271.3 Ų71.359%0.58634%0.339SS*.Hα-helixtrans-64.9-33174.1-69171.3000112.9S80 Y81 R82 F87 N88S80-L84 WeakPolarHBondContact O-CG 3.39Å; S80-L84 PolarHBondContact O-N 2.85Å; Y81-L84 PolarHBondContact O-N 3.48Å; R82-L84 PolarHBondContact O-N 3.33Å; L84-F87 HydrophobicContact CD2-CD2 4.41Å; L84-F87 PolarHBondContact O-N 3.28Å; L84-N88 PolarHBondContact O-N 3.3Å
85Y94.2Very high94.1Very high99 Ų9971.2 Ų71.239%0.38834%0.342SS..Hα-helixtrans-66.6-37.5173.2-93.6-119.3000112.5Y81 R82 A83 F87 N88 W89Y81-Y85 AromaticContact CD2-CD2 3.98Å; Y81-Y85 HydrophobicContact CD2-CD2 3.98Å; Y81-Y85 AromaticContact CD2-CE2 3.76Å; Y81-Y85 HydrophobicContact CD2-CE2 3.76Å; Y81-Y85 AromaticContact CE2-CD2 3.61Å; Y81-Y85 HydrophobicContact CE2-CD2 3.61Å; Y81-Y85 AromaticContact CE2-CE2 3.1Å; Y81-Y85 HydrophobicContact CE2-CE2 3.1Å; Y81-Y85 AromaticContact CE2-CZ 3.66Å; Y81-Y85 AromaticContact CZ-CE2 3.84Å; Y81-Y85 WeakPolarHBondContact O-CD2 3.45Å; Y81-Y85 PolarHBondContact O-N 3.34Å; R82-Y85 WeakPolarHBondContact O-CB 3.33Å; R82-Y85 PolarHBondContact O-N 3.02Å; R82-Y85 VanDerWaalsContact O-N 3.07Å; A83-Y85 VanDerWaalsContact C-N 3.31Å; A83-Y85 PolarHBondContact O-N 2.9Å; Y85-F87 VanDerWaalsContact C-N 3.3Å; Y85-F87 PolarHBondContact O-N 3.25Å; Y85-N88 WeakPolarHBondContact O-CA 3.36Å; Y85-N88 WeakPolarHBondContact O-CB 3.28Å; Y85-N88 PolarHBondContact O-N 3.05Å; Y85-N88 VanDerWaalsContact O-N 3.09Å; Y85-W89 AromaticContact CD1-CZ2 3.94Å; Y85-W89 HydrophobicContact CD1-CZ2 3.94Å; Y85-W89 PolarHBondContact O-N 3.27Å
86L93.8Very high94.2Very high37 Ų3775.9 Ų75.919%0.19437%0.367CS..Hα-helixtrans-57.8-44.9172.5-68.8173.3000111.2R82 A83 N88 W89 I90 I108 T111R82-L86 PolarHBondContact O-N 3.43Å; R82-L86 VanDerWaalsContact O-N 3.13Å; A83-L86 WeakPolarHBondContact O-CB 3.38Å; A83-L86 PolarHBondContact O-N 2.66Å; L86-N88 VanDerWaalsContact C-N 3.32Å; L86-N88 PolarHBondContact O-N 3.34Å; L86-W89 HydrophobicContact CD2-CE3 3.76Å; L86-W89 HydrophobicContact CD2-CZ3 3.62Å; L86-W89 HydrophobicContact CG-CE3 4.44Å; L86-W89 HydrophobicContact CG-CZ3 4.26Å; L86-W89 PolarHBondContact O-N 2.94Å; L86-I90 WeakPolarHBondContact O-CG1 3.07Å; L86-I90 PolarHBondContact O-N 3.31Å; L86-I108 HydrophobicContact CD2-CG1 3.63Å; L86-T111 HydrophobicContact CD1-CG2 3.74Å; L86-T111 VanDerWaalsContact CD1-OG1 3.24Å; L86-T111 WeakPolarHBondContact CD1-OG1 3.42Å
87F95Very high94.2Very high136 Ų13679.6 Ų79.660%0.59639%0.39SS*.Hα-helixtrans-64.6-36.5174.8-63.2-55.1000112.6A83 L84 Y85 I90 Y91A83-F87 VanDerWaalsContact O-CD2 3.23Å; A83-F87 WeakPolarHBondContact O-CD2 3.39Å; A83-F87 PolarHBondContact O-N 3.04Å; L84-F87 HydrophobicContact CD2-CD2 4.41Å; L84-F87 PolarHBondContact O-N 3.28Å; Y85-F87 VanDerWaalsContact C-N 3.3Å; Y85-F87 PolarHBondContact O-N 3.25Å; F87-I90 HydrophobicContact CD1-CD1 4.36Å; F87-I90 PolarHBondContact O-N 3.48Å; F87-Y91 PolarHBondContact O-N 2.86Å
88N95.5Very high94Very high73 Ų7381.3 Ų81.339%0.3938%0.384SS..Hα-helixtrans-62.5-43.6174-179.6-98.7000112.1L84 Y85 L86 I90 Y91 R92L84-N88 PolarHBondContact O-N 3.3Å; Y85-N88 WeakPolarHBondContact O-CA 3.36Å; Y85-N88 WeakPolarHBondContact O-CB 3.28Å; Y85-N88 PolarHBondContact O-N 3.05Å; Y85-N88 VanDerWaalsContact O-N 3.09Å; L86-N88 VanDerWaalsContact C-N 3.32Å; L86-N88 PolarHBondContact O-N 3.34Å; N88-I90 VanDerWaalsContact C-N 3.35Å; N88-I90 PolarHBondContact O-N 3.21Å; N88-Y91 WeakPolarHBondContact O-CB 3.31Å; N88-Y91 PolarHBondContact O-N 3.41Å; N88-R92 WeakPolarHBondContact O-CG 3.41Å; N88-R92 PolarHBondContact O-N 3.39Å; N88-R92 WeakPolarHBondContact OD1-CD 3.22Å
89W94.5Very high94Very high32 Ų3281.7 Ų81.712%0.12139%0.386CS..Hα-helixtrans-66.1-36.9177.3-62.7-41.6000112.4Y85 L86 Y91 R92 Y93 A103 V104Y85-W89 AromaticContact CD1-CZ2 3.94Å; Y85-W89 HydrophobicContact CD1-CZ2 3.94Å; Y85-W89 PolarHBondContact O-N 3.27Å; L86-W89 HydrophobicContact CD2-CE3 3.76Å; L86-W89 HydrophobicContact CD2-CZ3 3.62Å; L86-W89 HydrophobicContact CG-CE3 4.44Å; L86-W89 HydrophobicContact CG-CZ3 4.26Å; L86-W89 PolarHBondContact O-N 2.94Å; W89-Y91 VanDerWaalsContact C-N 3.32Å; W89-Y91 PolarHBondContact O-N 3.03Å; W89-R92 PolarHBondContact O-N 3.29Å; W89-Y93 WeakPolarHBondContact O-CB 3.45Å; W89-Y93 PolarHBondContact O-N 3.25Å; W89-A103 WeakPolarHBondContact CH2-O 3.18Å; W89-A103 HydrophobicContact CZ2-CB 3.87Å; W89-A103 WeakPolarHBondContact CZ3-O 3.4Å; W89-V104 HydrophobicContact CB-CG2 3.86Å; W89-V104 HydrophobicContact CD2-CG2 3.82Å; W89-V104 HydrophobicContact CE3-CB 4.31Å; W89-V104 HydrophobicContact CE3-CG2 3.87Å; W89-V104 HydrophobicContact CG-CG2 3.82Å
90I94.2Very high94Very high103 Ų10382.5 Ų82.553%0.52839%0.39SS..Hα-helixtrans-60.1-45171.3-66.3166000110.2L86 F87 N88 Y93 V94L86-I90 WeakPolarHBondContact O-CG1 3.07Å; L86-I90 PolarHBondContact O-N 3.31Å; F87-I90 HydrophobicContact CD1-CD1 4.36Å; F87-I90 PolarHBondContact O-N 3.48Å; N88-I90 VanDerWaalsContact C-N 3.35Å; N88-I90 PolarHBondContact O-N 3.21Å; I90-Y93 PolarHBondContact O-N 3.31Å; I90-V94 WeakPolarHBondContact O-CG2 3.24Å; I90-V94 PolarHBondContact O-N 2.84Å; I90-V94 VanDerWaalsContact O-N 3.13Å
91Y96Very high94Very high131 Ų13188.5 Ų88.551%0.51441%0.409SS..Hα-helixtrans-59.6-50.4176.7179.4-86.9000111.6F87 N88 W89 Y93 V94 F95F87-Y91 PolarHBondContact O-N 2.86Å; N88-Y91 WeakPolarHBondContact O-CB 3.31Å; N88-Y91 PolarHBondContact O-N 3.41Å; W89-Y91 VanDerWaalsContact C-N 3.32Å; W89-Y91 PolarHBondContact O-N 3.03Å; Y91-Y93 VanDerWaalsContact C-N 3.31Å; Y91-Y93 PolarHBondContact O-N 3.04Å; Y91-V94 PolarHBondContact O-N 3.26Å; Y91-V94 VanDerWaalsContact O-N 3.14Å; Y91-F95 HydrophobicContact CD1-CD2 4.17Å; Y91-F95 AromaticContact CD2-CD2 3.46Å; Y91-F95 HydrophobicContact CD2-CD2 3.46Å; Y91-F95 VanDerWaalsContact CD2-CD2 3.46Å; Y91-F95 AromaticContact CD2-CE2 3.55Å; Y91-F95 HydrophobicContact CD2-CE2 3.55Å; Y91-F95 HydrophobicContact CE1-CB 4.32Å; Y91-F95 HydrophobicContact CE1-CD2 4.07Å; Y91-F95 HydrophobicContact CE1-CG 4.45Å; Y91-F95 AromaticContact CE2-CD2 3.33Å; Y91-F95 HydrophobicContact CE2-CD2 3.33Å; Y91-F95 AromaticContact CE2-CE2 3.41Å; Y91-F95 HydrophobicContact CE2-CE2 3.41Å; Y91-F95 VanDerWaalsContact CE2-CE2 3.41Å; Y91-F95 HydrophobicContact CE2-CG 4.18Å; Y91-F95 HydrophobicContact CE2-CZ 4.29Å; Y91-F95 AromaticContact CG-CD2 3.89Å; Y91-F95 HydrophobicContact CG-CD2 3.89Å; Y91-F95 HydrophobicContact CG-CE2 4.38Å; Y91-F95 AromaticContact CZ-CD2 3.65Å; Y91-F95 VanDerWaalsContact O-CD2 3.32Å; Y91-F95 WeakPolarHBondContact O-CD2 3.46Å; Y91-F95 PolarHBondContact O-N 2.96Å
92R95.3Very high94.1Very high77 Ų7785.2 Ų85.229%0.29140%0.396SS..Hα-helixtrans-64.2-34.3-180-67.8-173.470.9-163.8-4.2112.9N88 W89 V94 D96 D97 Y98N88-R92 WeakPolarHBondContact O-CG 3.41Å; N88-R92 PolarHBondContact O-N 3.39Å; N88-R92 WeakPolarHBondContact OD1-CD 3.22Å; W89-R92 PolarHBondContact O-N 3.29Å; R92-V94 VanDerWaalsContact C-N 3.35Å; R92-D96 IonicContact NE-OD2 3.94Å; R92-D96 CarbonylContact O-C 3.48Å; R92-D96 WeakPolarHBondContact O-CA 3.24Å; R92-D96 VanDerWaalsContact O-CB 3.31Å; R92-D96 WeakPolarHBondContact O-CB 3.39Å; R92-D96 PolarHBondContact O-N 3.43Å; R92-D97 PolarHBondContact O-N 2.84Å; R92-Y98 CarbonylContact C-O 3.54Å; R92-Y98 VanDerWaalsContact NH2-CE1 3.31Å; R92-Y98 VanDerWaalsContact NH2-CG 3.33Å; R92-Y98 PolarHBondContact O-N 2.89Å
93Y94.3Very high94.3Very high132 Ų13285 Ų8552%0.51840%0.397SS..Hα-helixtrans-63.7-41.5173.8178.6-110.9000111.9W89 I90 Y91 Y98 L99W89-Y93 WeakPolarHBondContact O-CB 3.45Å; W89-Y93 PolarHBondContact O-N 3.25Å; I90-Y93 PolarHBondContact O-N 3.31Å; Y91-Y93 VanDerWaalsContact C-N 3.31Å; Y91-Y93 PolarHBondContact O-N 3.04Å; Y93-Y98 PolarHBondContact N-O 2.76Å; Y93-L99 HydrophobicContact CD2-CB 4.07Å; Y93-L99 HydrophobicContact CD2-CD1 3.56Å; Y93-L99 HydrophobicContact CD2-CG 4.38Å; Y93-L99 HydrophobicContact CE2-CD1 3.93Å; Y93-L99 HydrophobicContact CG-CD1 4.14Å
94V95.4Very high94.4Very high97 Ų9785.1 Ų85.159%0.58840%0.396SS*.Hα-helixtrans-75.5-39.2-178.3173.50000112.7I90 Y91 R92I90-V94 WeakPolarHBondContact O-CG2 3.24Å; I90-V94 PolarHBondContact O-N 2.84Å; I90-V94 VanDerWaalsContact O-N 3.13Å; Y91-V94 PolarHBondContact O-N 3.26Å; Y91-V94 VanDerWaalsContact O-N 3.14Å; R92-V94 VanDerWaalsContact C-N 3.35Å
95F96.3Very high94.4Very high136 Ų13683.9 Ų83.960%0.59639%0.393SS*.Hα-helixtrans-103.1-29.3-171.1-68.6-77000114.6Y91Y91-F95 HydrophobicContact CD1-CD2 4.17Å; Y91-F95 AromaticContact CD2-CD2 3.46Å; Y91-F95 HydrophobicContact CD2-CD2 3.46Å; Y91-F95 VanDerWaalsContact CD2-CD2 3.46Å; Y91-F95 AromaticContact CD2-CE2 3.55Å; Y91-F95 HydrophobicContact CD2-CE2 3.55Å; Y91-F95 HydrophobicContact CE1-CB 4.32Å; Y91-F95 HydrophobicContact CE1-CD2 4.07Å; Y91-F95 HydrophobicContact CE1-CG 4.45Å; Y91-F95 AromaticContact CE2-CD2 3.33Å; Y91-F95 HydrophobicContact CE2-CD2 3.33Å; Y91-F95 AromaticContact CE2-CE2 3.41Å; Y91-F95 HydrophobicContact CE2-CE2 3.41Å; Y91-F95 VanDerWaalsContact CE2-CE2 3.41Å; Y91-F95 HydrophobicContact CE2-CG 4.18Å; Y91-F95 HydrophobicContact CE2-CZ 4.29Å; Y91-F95 AromaticContact CG-CD2 3.89Å; Y91-F95 HydrophobicContact CG-CD2 3.89Å; Y91-F95 HydrophobicContact CG-CE2 4.38Å; Y91-F95 AromaticContact CZ-CD2 3.65Å; Y91-F95 VanDerWaalsContact O-CD2 3.32Å; Y91-F95 WeakPolarHBondContact O-CD2 3.46Å; Y91-F95 PolarHBondContact O-N 2.96Å
96D94.3Very high94.5Very high98 Ų9879.3 Ų79.352%0.52438%0.376SS..Hα-helixtrans-112.7-3.2-175-55.4-33.4000113.4R92 Y98R92-D96 IonicContact NE-OD2 3.94Å; R92-D96 CarbonylContact O-C 3.48Å; R92-D96 WeakPolarHBondContact O-CA 3.24Å; R92-D96 VanDerWaalsContact O-CB 3.31Å; R92-D96 WeakPolarHBondContact O-CB 3.39Å; R92-D96 PolarHBondContact O-N 3.43Å; D96-Y98 PolarHBondContact O-N 3.36Å; D96-Y98 VanDerWaalsContact O-N 3.12Å
97D91Very high94.6Very high144 Ų14477.6 Ų77.677%0.7737%0.367SS*.  trans49.533-170.8-160.731.1000113R92R92-D97 PolarHBondContact O-N 2.84Å
98Y91.2Very high94.6Very high97 Ų9774.9 Ų74.938%0.3836%0.358SS..  trans-111.5126.3-178176.3-87.7000110.6R92 Y93 D96 D100R92-Y98 CarbonylContact C-O 3.54Å; R92-Y98 VanDerWaalsContact NH2-CE1 3.31Å; R92-Y98 VanDerWaalsContact NH2-CG 3.33Å; R92-Y98 PolarHBondContact O-N 2.89Å; Y93-Y98 PolarHBondContact N-O 2.76Å; D96-Y98 PolarHBondContact O-N 3.36Å; D96-Y98 VanDerWaalsContact O-N 3.12Å; Y98-D100 HydrophobicContact CE1-CB 4.08Å
99L92.3Very high94.7Very high58 Ų5874.3 Ų74.330%0.30436%0.357SS..  trans-142.6117.2175.4-163.4159.8000110.6Y93 Y101 V104Y93-L99 HydrophobicContact CD2-CB 4.07Å; Y93-L99 HydrophobicContact CD2-CD1 3.56Å; Y93-L99 HydrophobicContact CD2-CG 4.38Å; Y93-L99 HydrophobicContact CE2-CD1 3.93Å; Y93-L99 HydrophobicContact CG-CD1 4.14Å; L99-Y101 HydrophobicContact CD2-CD1 3.35Å; L99-Y101 HydrophobicContact CD2-CD2 4.31Å; L99-Y101 HydrophobicContact CD2-CE1 3.52Å; L99-Y101 HydrophobicContact CD2-CE2 4.45Å; L99-Y101 HydrophobicContact CD2-CG 3.78Å; L99-V104 HydrophobicContact CD2-CG2 4.16Å; L99-V104 HydrophobicContact CG-CG2 4.34Å
100D93.3Very high94.7Very high16 Ų1673.1 Ų73.19%0.08635%0.353CS..  trans-92.598.9171.2-176.6-35.1000109.1Y34 W43 Y98 I102 A103 V104Y34-D100 PolarHBondContact OH-OD1 2.93Å; W43-D100 WeakPolarHBondContact CH2-OD2 3.34Å; W43-D100 VanDerWaalsContact CZ2-OD2 3.32Å; W43-D100 WeakPolarHBondContact CZ2-OD2 3.42Å; Y98-D100 HydrophobicContact CE1-CB 4.08Å; D100-I102 VanDerWaalsContact C-N 3.27Å; D100-I102 PolarHBondContact O-N 3.21Å; D100-I102 PolarHBondContact OD1-N 3.27Å; D100-I102 VanDerWaalsContact OD1-N 3.09Å; D100-A103 HydrophobicContact CB-CB 3.93Å; D100-A103 PolarHBondContact O-N 3.49Å; D100-A103 WeakPolarHBondContact OD1-CB 3.35Å; D100-A103 PolarHBondContact OD1-N 3.37Å; D100-V104 WeakPolarHBondContact O-CB 3.5Å; D100-V104 VanDerWaalsContact O-CG2 3.24Å; D100-V104 WeakPolarHBondContact O-CG2 3.36Å; D100-V104 PolarHBondContact O-N 3.42Å
101Y94.4Very high94.7Very high159 Ų15969.2 Ų69.262%0.62433%0.333SS*.Hα-helixtrans-57.2-37.9-178.2-62.6-75.1000113.2Y34 L99 V105Y34-Y101 PolarHBondContact OH-N 2.89Å; L99-Y101 HydrophobicContact CD2-CD1 3.35Å; L99-Y101 HydrophobicContact CD2-CD2 4.31Å; L99-Y101 HydrophobicContact CD2-CE1 3.52Å; L99-Y101 HydrophobicContact CD2-CE2 4.45Å; L99-Y101 HydrophobicContact CD2-CG 3.78Å; Y101-V105 WeakPolarHBondContact O-CB 3.45Å; Y101-V105 VanDerWaalsContact O-CG2 3.23Å; Y101-V105 WeakPolarHBondContact O-CG2 3.41Å; Y101-V105 PolarHBondContact O-N 3.12Å
102I95.5Very high94.7Very high13 Ų1368.3 Ų68.37%0.06734%0.337CS..Hα-helixtrans-66.9-50.1-179.4-67.9178.6000109.2A32 Y34 W43 I47 Y48 D100 A106A32-I102 WeakPolarHBondContact O-CD1 3.39Å; Y34-I102 HydrophobicContact CD2-CD1 3.92Å; Y34-I102 HydrophobicContact CE1-CD1 4.33Å; Y34-I102 HydrophobicContact CE1-CG1 4.43Å; Y34-I102 HydrophobicContact CE2-CB 4.18Å; Y34-I102 HydrophobicContact CE2-CD1 3.66Å; Y34-I102 HydrophobicContact CE2-CG1 3.95Å; Y34-I102 HydrophobicContact CG-CD1 4.35Å; Y34-I102 PolarHBondContact OH-N 3.44Å; Y34-I102 VanDerWaalsContact OH-N 3.08Å; W43-I102 HydrophobicContact CH2-CB 4.23Å; W43-I102 HydrophobicContact CH2-CG2 4.23Å; W43-I102 HydrophobicContact CZ3-CB 4.3Å; W43-I102 HydrophobicContact CZ3-CD1 4.17Å; W43-I102 HydrophobicContact CZ3-CG2 4.15Å; I47-I102 HydrophobicContact CB-CG2 4.39Å; I47-I102 HydrophobicContact CG2-CG2 3.98Å; Y48-I102 HydrophobicContact CE1-CG2 3.89Å; Y48-I102 HydrophobicContact CE2-CG2 4.4Å; D100-I102 VanDerWaalsContact C-N 3.27Å; D100-I102 PolarHBondContact O-N 3.21Å; D100-I102 PolarHBondContact OD1-N 3.27Å; D100-I102 VanDerWaalsContact OD1-N 3.09Å; I102-A106 VanDerWaalsContact O-CB 3.22Å; I102-A106 WeakPolarHBondContact O-CB 3.41Å; I102-A106 PolarHBondContact O-N 3.48Å
103A95.4Very high94.6Very high9 Ų967.2 Ų67.27%0.07434%0.336CS..Hα-helixtrans-62.9-44.6179.500000112.2W89 D100 G107W89-A103 WeakPolarHBondContact CH2-O 3.18Å; W89-A103 HydrophobicContact CZ2-CB 3.87Å; W89-A103 WeakPolarHBondContact CZ3-O 3.4Å; D100-A103 HydrophobicContact CB-CB 3.93Å; D100-A103 PolarHBondContact O-N 3.49Å; D100-A103 WeakPolarHBondContact OD1-CB 3.35Å; D100-A103 PolarHBondContact OD1-N 3.37Å; A103-G107 PolarHBondContact O-N 3.42Å
104V95.5Very high94.5Very high28 Ų2861 Ų6117%0.1731%0.312CS..Hα-helixtrans-63.4-49.7-179.7170.90000111.1W89 L99 D100 G107 I108W89-V104 HydrophobicContact CB-CG2 3.86Å; W89-V104 HydrophobicContact CD2-CG2 3.82Å; W89-V104 HydrophobicContact CE3-CB 4.31Å; W89-V104 HydrophobicContact CE3-CG2 3.87Å; W89-V104 HydrophobicContact CG-CG2 3.82Å; L99-V104 HydrophobicContact CD2-CG2 4.16Å; L99-V104 HydrophobicContact CG-CG2 4.34Å; D100-V104 WeakPolarHBondContact O-CB 3.5Å; D100-V104 VanDerWaalsContact O-CG2 3.24Å; D100-V104 WeakPolarHBondContact O-CG2 3.36Å; D100-V104 PolarHBondContact O-N 3.42Å; V104-G107 PolarHBondContact O-N 3.02Å; V104-I108 HydrophobicContact CG1-CD1 3.89Å; V104-I108 VanDerWaalsContact O-CG1 3.28Å; V104-I108 WeakPolarHBondContact O-CG1 3.46Å; V104-I108 PolarHBondContact O-N 3.21Å
105V95.7Very high94.3Very high86 Ų8659.3 Ų59.352%0.52130%0.304SS..Hα-helixtrans-63.1-46.5-179.6172.20000110.7Y101 G107 I108 V109Y101-V105 WeakPolarHBondContact O-CB 3.45Å; Y101-V105 VanDerWaalsContact O-CG2 3.23Å; Y101-V105 WeakPolarHBondContact O-CG2 3.41Å; Y101-V105 PolarHBondContact O-N 3.12Å; V105-G107 VanDerWaalsContact C-N 3.33Å; V105-G107 PolarHBondContact O-N 2.81Å; V105-I108 PolarHBondContact O-N 3.02Å; V105-V109 WeakPolarHBondContact O-CG2 3.5Å; V105-V109 PolarHBondContact O-N 3.38Å
106A96.4Very high93.9Very high4 Ų458.2 Ų58.23%0.03330%0.304CS..Hα-helixtrans-61.6-40.6177.400000112.1I47 Y48 S51 I102 V109 Q110I47-A106 HydrophobicContact CG2-CB 3.44Å; I47-A106 VanDerWaalsContact CG2-CB 3.44Å; Y48-A106 HydrophobicContact CD1-CB 4.46Å; S51-A106 VanDerWaalsContact CB-O 3.28Å; S51-A106 WeakPolarHBondContact CB-O 3.34Å; I102-A106 VanDerWaalsContact O-CB 3.22Å; I102-A106 WeakPolarHBondContact O-CB 3.41Å; I102-A106 PolarHBondContact O-N 3.48Å; A106-V109 PolarHBondContact O-N 3.28Å; A106-Q110 WeakPolarHBondContact O-CB 3.32Å; A106-Q110 PolarHBondContact O-N 2.92Å
107G95.6Very high93.7Very high1 Ų154 Ų541%0.0128%0.281CS..Hα-helixtrans-69.3-33.2177.100000113.7A103 V104 V105 Q110 T111A103-G107 PolarHBondContact O-N 3.42Å; V104-G107 PolarHBondContact O-N 3.02Å; V105-G107 VanDerWaalsContact C-N 3.33Å; V105-G107 PolarHBondContact O-N 2.81Å; G107-Q110 PolarHBondContact O-N 3.01Å; G107-T111 WeakPolarHBondContact O-CB 3.39Å; G107-T111 PolarHBondContact O-N 2.76Å; G107-T111 PolarHBondContact O-OG1 3.33Å
108I95.9Very high93.6Very high79 Ų7948.6 Ų48.641%0.40525%0.251SS..Hα-helixtrans-63.3-50.1170.8-69.8166.8000109.6L86 V104 V105 Q110 T111 L112L86-I108 HydrophobicContact CD2-CG1 3.63Å; V104-I108 HydrophobicContact CG1-CD1 3.89Å; V104-I108 VanDerWaalsContact O-CG1 3.28Å; V104-I108 WeakPolarHBondContact O-CG1 3.46Å; V104-I108 PolarHBondContact O-N 3.21Å; V105-I108 PolarHBondContact O-N 3.02Å; I108-Q110 VanDerWaalsContact C-N 3.3Å; I108-Q110 PolarHBondContact O-N 2.99Å; I108-T111 PolarHBondContact O-N 3.45Å; I108-L112 HydrophobicContact CG2-CD1 4.01Å; I108-L112 HydrophobicContact CG2-CG 4.38Å; I108-L112 WeakPolarHBondContact O-CG 3.15Å; I108-L112 PolarHBondContact O-N 3.37Å
109V96Very high93.5Very high61 Ų6151.8 Ų51.837%0.3726%0.264SS..Hα-helixtrans-55.2-47.8176.7170.40000110.6V105 A106 T111 L112 L113V105-V109 WeakPolarHBondContact O-CG2 3.5Å; V105-V109 PolarHBondContact O-N 3.38Å; A106-V109 PolarHBondContact O-N 3.28Å; V109-T111 PolarHBondContact O-N 3.07Å; V109-L112 PolarHBondContact O-N 2.88Å; V109-L113 WeakPolarHBondContact O-CG 3.45Å; V109-L113 PolarHBondContact O-N 2.87Å; V109-L113 VanDerWaalsContact O-N 3.09Å
110Q95.4Very high93.1Very high7 Ų750 Ų503%0.03325%0.254CS..Hα-helixtrans-60.9-45179.4-165.3166.51.800112.2E50 S51 R82 A106 G107 I108 L112 L113 Y114E50-Q110 PolarHBondContact O-NE2 3.24Å; S51-Q110 WeakPolarHBondContact O-CA 3.28Å; R82-Q110 HydrophobicContact CG-CG 4.22Å; R82-Q110 VanDerWaalsContact NE-CD 3.28Å; A106-Q110 WeakPolarHBondContact O-CB 3.32Å; A106-Q110 PolarHBondContact O-N 2.92Å; G107-Q110 PolarHBondContact O-N 3.01Å; I108-Q110 VanDerWaalsContact C-N 3.3Å; I108-Q110 PolarHBondContact O-N 2.99Å; Q110-L112 VanDerWaalsContact C-N 3.34Å; Q110-L112 PolarHBondContact O-N 3.09Å; Q110-L113 WeakPolarHBondContact O-CB 3.11Å; Q110-L113 PolarHBondContact O-N 3.02Å; Q110-Y114 HydrophobicContact CG-CD2 4.42Å; Q110-Y114 HydrophobicContact CG-CE2 4.01Å; Q110-Y114 WeakPolarHBondContact O-CD2 3.28Å; Q110-Y114 PolarHBondContact O-N 3.41Å
111T94.3Very high92.8Very high20 Ų2050 Ų5012%0.12325%0.253CS..Hα-helixtrans-64.6-39.9179.3-55.50000111.1A83 L86 G107 I108 V109 L113 Y114 C115A83-T111 HydrophobicContact CB-CG2 4.47Å; L86-T111 HydrophobicContact CD1-CG2 3.74Å; L86-T111 VanDerWaalsContact CD1-OG1 3.24Å; L86-T111 WeakPolarHBondContact CD1-OG1 3.42Å; G107-T111 WeakPolarHBondContact O-CB 3.39Å; G107-T111 PolarHBondContact O-N 2.76Å; G107-T111 PolarHBondContact O-OG1 3.33Å; I108-T111 PolarHBondContact O-N 3.45Å; V109-T111 PolarHBondContact O-N 3.07Å; T111-L113 VanDerWaalsContact C-N 3.31Å; T111-L113 PolarHBondContact O-N 2.96Å; T111-Y114 PolarHBondContact O-N 3.25Å; T111-C115 PolarHBondContact O-N 3.48Å; T111-C115 PolarHBondContact O-SG 3.34Å
112L94.8Very high92.4Very high113 Ų11346.7 Ų46.759%0.59225%0.245SC*.Hα-helixtrans-61.2-38.2175.8-72.6175000112.4I108 V109 Q110 Y114 C115I108-L112 HydrophobicContact CG2-CD1 4.01Å; I108-L112 HydrophobicContact CG2-CG 4.38Å; I108-L112 WeakPolarHBondContact O-CG 3.15Å; I108-L112 PolarHBondContact O-N 3.37Å; V109-L112 PolarHBondContact O-N 2.88Å; Q110-L112 VanDerWaalsContact C-N 3.34Å; Q110-L112 PolarHBondContact O-N 3.09Å; L112-Y114 PolarHBondContact O-N 3.13Å; L112-C115 WeakPolarHBondContact O-CB 3.23Å; L112-C115 PolarHBondContact O-N 2.9Å; L112-C115 VanDerWaalsContact O-N 3.12Å
113L93.7Very high92Very high53 Ų5347.7 Ų47.728%0.27726%0.255SS..Hα-helixtrans-62.7-29.3174.4-69.5176.5000112.8S51 V52 M55 V109 Q110 T111S51-L113 VanDerWaalsContact O-CD1 3.31Å; S51-L113 WeakPolarHBondContact O-CD1 3.21Å; V52-L113 HydrophobicContact CG1-CD1 4.33Å; M55-L113 HydrophobicContact CG-CD1 4.13Å; M55-L113 HydrophobicContact SD-CD1 4.11Å; M55-L113 HydrophobicContact SD-CD2 3.69Å; V109-L113 WeakPolarHBondContact O-CG 3.45Å; V109-L113 PolarHBondContact O-N 2.87Å; V109-L113 VanDerWaalsContact O-N 3.09Å; Q110-L113 WeakPolarHBondContact O-CB 3.11Å; Q110-L113 PolarHBondContact O-N 3.02Å; T111-L113 VanDerWaalsContact C-N 3.31Å; T111-L113 PolarHBondContact O-N 2.96Å
114Y92.4Very high91.4Very high1 Ų149.6 Ų49.60%0.00426%0.262CS..Hα-helixtrans-82.7-14.2175.1-75.4-77000114.1I54 L75 L78 Q110 T111 L112 D116 F117 F118I54-Y114 WeakPolarHBondContact CD1-OH 3.37Å; I54-Y114 HydrophobicContact CG1-CE1 3.91Å; I54-Y114 VanDerWaalsContact CG1-OH 3.28Å; I54-Y114 WeakPolarHBondContact CG1-OH 3.48Å; I54-Y114 HydrophobicContact CG2-CE2 4.23Å; L75-Y114 HydrophobicContact CD2-CE1 4.49Å; L78-Y114 WeakPolarHBondContact CD2-OH 3.33Å; L78-Y114 WeakPolarHBondContact CG-OH 3.28Å; Q110-Y114 HydrophobicContact CG-CD2 4.42Å; Q110-Y114 HydrophobicContact CG-CE2 4.01Å; Q110-Y114 WeakPolarHBondContact O-CD2 3.28Å; Q110-Y114 PolarHBondContact O-N 3.41Å; T111-Y114 PolarHBondContact O-N 3.25Å; L112-Y114 PolarHBondContact O-N 3.13Å; Y114-D116 PolarHBondContact O-N 3.31Å; Y114-F117 WeakPolarHBondContact O-CB 3.48Å; Y114-F117 PolarHBondContact O-N 3.34Å; Y114-F118 HydrophobicContact CG-CZ 4.43Å; Y114-F118 WeakPolarHBondContact O-CD2 3.49Å; Y114-F118 WeakPolarHBondContact O-CG 3.39Å; Y114-F118 PolarHBondContact O-N 3.04Å
115C91.8Very high90.7Very high63 Ų6349.1 Ų49.143%0.42626%0.259SS..Hα-helixtrans-57.6-45.2-173-76.30000113.3T111 L112 F118 Y119T111-C115 PolarHBondContact O-N 3.48Å; T111-C115 PolarHBondContact O-SG 3.34Å; L112-C115 WeakPolarHBondContact O-CB 3.23Å; L112-C115 PolarHBondContact O-N 2.9Å; L112-C115 VanDerWaalsContact O-N 3.12Å; C115-F118 PolarHBondContact O-N 2.91Å; C115-Y119 PolarHBondContact O-N 2.87Å
116D87.7Confident89.8Confident112 Ų11251.2 Ų51.260%0.59927%0.265SS*.Hα-helixtrans-64.7-43.9178.5-17548.1000111.4Y114 F118 Y119 L120Y114-D116 PolarHBondContact O-N 3.31Å; D116-F118 PolarHBondContact O-N 3.28Å; D116-Y119 PolarHBondContact O-N 3.02Å; D116-L120 WeakPolarHBondContact O-CG 3.37Å; D116-L120 PolarHBondContact O-N 3.09Å
117F89.4Confident89.1Confident10 Ų1058.2 Ų58.24%0.04430%0.295CS..Hα-helixtrans-59.2-45.1175176.4-92.6000112L58 S72 L75 F76 Y114 Y119 L120 Y121 L131L58-F117 HydrophobicContact CD2-CB 4.24Å; L58-F117 HydrophobicContact CD2-CD2 4.45Å; L58-F117 HydrophobicContact CD2-CG 4.49Å; S72-F117 VanDerWaalsContact O-CZ 3.28Å; S72-F117 WeakPolarHBondContact O-CZ 3.43Å; L75-F117 HydrophobicContact CB-CD1 4.06Å; L75-F117 HydrophobicContact CB-CD2 4.45Å; L75-F117 HydrophobicContact CB-CE1 3.48Å; L75-F117 VanDerWaalsContact CB-CE1 3.48Å; L75-F117 HydrophobicContact CB-CE2 3.92Å; L75-F117 HydrophobicContact CB-CZ 3.43Å; L75-F117 VanDerWaalsContact CB-CZ 3.43Å; L75-F117 HydrophobicContact CD1-CD2 3.98Å; L75-F117 HydrophobicContact CD1-CE2 3.59Å; L75-F117 HydrophobicContact CD1-CZ 3.99Å; L75-F117 HydrophobicContact CG-CE2 4.42Å; L75-F117 HydrophobicContact CG-CZ 4.35Å; F76-F117 HydrophobicContact CB-CE1 4.16Å; Y114-F117 WeakPolarHBondContact O-CB 3.48Å; Y114-F117 PolarHBondContact O-N 3.34Å; F117-Y119 PolarHBondContact O-N 3.08Å; F117-L120 PolarHBondContact O-N 3.03Å; F117-Y121 HydrophobicContact CE1-CD2 4.28Å; F117-Y121 HydrophobicContact CE1-CG 4.35Å; F117-Y121 HydrophobicContact CZ-CD2 4Å; F117-Y121 HydrophobicContact CZ-CG 4.43Å; F117-Y121 WeakPolarHBondContact O-CB 3.34Å; F117-Y121 PolarHBondContact O-N 3.47Å; F117-L131 HydrophobicContact CD2-CD1 4.42Å; F117-L131 HydrophobicContact CE2-CD1 3.85Å; F117-L131 HydrophobicContact CZ-CD1 4.47Å
118F89.9Confident88.2Confident31 Ų3161.6 Ų61.614%0.13633%0.329CS..Hα-helixtrans-62.1-43.3177.5-69.4-35.8000112.7F76 G79 Y114 C115 D116 L120 Y121 I122F76-F118 AromaticContact CD2-CD1 3.76Å; F76-F118 HydrophobicContact CD2-CD1 3.76Å; F76-F118 AromaticContact CD2-CE1 3.94Å; F76-F118 HydrophobicContact CD2-CE1 3.94Å; F76-F118 HydrophobicContact CE2-CD1 4.13Å; F76-F118 HydrophobicContact CE2-CE1 4.35Å; G79-F118 VanDerWaalsContact C-CZ 3.41Å; Y114-F118 HydrophobicContact CG-CZ 4.43Å; Y114-F118 WeakPolarHBondContact O-CD2 3.49Å; Y114-F118 WeakPolarHBondContact O-CG 3.39Å; Y114-F118 PolarHBondContact O-N 3.04Å; C115-F118 PolarHBondContact O-N 2.91Å; D116-F118 PolarHBondContact O-N 3.28Å; F118-L120 VanDerWaalsContact C-N 3.34Å; F118-L120 PolarHBondContact O-N 2.88Å; F118-Y121 PolarHBondContact O-N 3.09Å; F118-I122 WeakPolarHBondContact O-CB 3.41Å; F118-I122 VanDerWaalsContact O-CG1 3.27Å; F118-I122 WeakPolarHBondContact O-CG1 3.38Å; F118-I122 PolarHBondContact O-N 2.96Å
119Y88.6Confident87.2Confident164 Ų16466.3 Ų66.364%0.64334%0.342SS*.Hα-helixtrans-57.4-50.2176.6173.8-99.3000110.7C115 D116 F117 A123C115-Y119 PolarHBondContact O-N 2.87Å; D116-Y119 PolarHBondContact O-N 3.02Å; F117-Y119 PolarHBondContact O-N 3.08Å; Y119-A123 WeakPolarHBondContact O-CB 3.23Å; Y119-A123 PolarHBondContact O-N 3.39Å
120L84.4Confident85.9Confident19 Ų1968.3 Ų68.310%0.09935%0.35CS..Hα-helixtrans-64.5-42.6179.5-70.3170.4000112.6D116 F117 F118 A123 K124 L131 L133D116-L120 WeakPolarHBondContact O-CG 3.37Å; D116-L120 PolarHBondContact O-N 3.09Å; F117-L120 PolarHBondContact O-N 3.03Å; F118-L120 VanDerWaalsContact C-N 3.34Å; F118-L120 PolarHBondContact O-N 2.88Å; L120-A123 PolarHBondContact O-N 3.18Å; L120-K124 WeakPolarHBondContact O-CB 3.24Å; L120-K124 PolarHBondContact O-N 3.49Å; L120-L131 HydrophobicContact CB-CD1 4.35Å; L120-L133 HydrophobicContact CD1-CD2 3.37Å; L120-L133 HydrophobicContact CD2-CD2 4.44Å
121Y86.2Confident84.5Confident16 Ų1668.2 Ų68.26%0.06335%0.35CS..Hα-helixtrans-60.9-48.6178.4177.6-88.8000111.7H73 F76 F117 F118 V125 M126H73-Y121 PolarHBondContact CE1-OH 3.45Å; H73-Y121 AromaticContact ND1-CE2 3.79Å; H73-Y121 AromaticContact ND1-CZ 3.65Å; H73-Y121 PolarHBondContact ND1-OH 3.4Å; F76-Y121 HydrophobicContact CB-CD1 4.27Å; F76-Y121 HydrophobicContact CB-CD2 4.19Å; F76-Y121 HydrophobicContact CB-CE1 4.01Å; F76-Y121 HydrophobicContact CB-CE2 3.93Å; F76-Y121 HydrophobicContact CB-CG 4.35Å; F76-Y121 HydrophobicContact CD1-CE1 4.07Å; F76-Y121 AromaticContact CD2-CD1 3.35Å; F76-Y121 HydrophobicContact CD2-CD1 3.35Å; F76-Y121 AromaticContact CD2-CE1 3.41Å; F76-Y121 HydrophobicContact CD2-CE1 3.41Å; F76-Y121 VanDerWaalsContact CD2-CE1 3.41Å; F76-Y121 HydrophobicContact CD2-CG 4.02Å; F76-Y121 HydrophobicContact CE1-CE1 4.44Å; F76-Y121 AromaticContact CE2-CD1 3.85Å; F76-Y121 HydrophobicContact CE2-CD1 3.85Å; F76-Y121 AromaticContact CE2-CE1 3.85Å; F76-Y121 HydrophobicContact CE2-CE1 3.85Å; F76-Y121 AromaticContact CG-CD1 3.9Å; F76-Y121 HydrophobicContact CG-CD1 3.9Å; F76-Y121 AromaticContact CG-CE1 3.54Å; F76-Y121 HydrophobicContact CG-CE1 3.54Å; F76-Y121 HydrophobicContact CG-CE2 4.37Å; F76-Y121 HydrophobicContact CG-CG 4.44Å; F76-Y121 AromaticContact CG-CZ 3.79Å; F76-Y121 HydrophobicContact CZ-CE1 4.34Å; F117-Y121 HydrophobicContact CE1-CD2 4.28Å; F117-Y121 HydrophobicContact CE1-CG 4.35Å; F117-Y121 HydrophobicContact CZ-CD2 4Å; F117-Y121 HydrophobicContact CZ-CG 4.43Å; F117-Y121 WeakPolarHBondContact O-CB 3.34Å; F117-Y121 PolarHBondContact O-N 3.47Å; F118-Y121 PolarHBondContact O-N 3.09Å; Y121-V125 HydrophobicContact CD2-CB 3.84Å; Y121-V125 HydrophobicContact CD2-CG1 4.06Å; Y121-V125 HydrophobicContact CD2-CG2 3.94Å; Y121-V125 HydrophobicContact CE2-CB 4Å; Y121-V125 HydrophobicContact CE2-CG1 3.72Å; Y121-V125 HydrophobicContact CE2-CG2 4.44Å; Y121-V125 HydrophobicContact CG-CB 4.31Å; Y121-V125 WeakPolarHBondContact O-CA 3.4Å; Y121-V125 WeakPolarHBondContact O-CB 3.32Å; Y121-V125 PolarHBondContact O-N 3.07Å; Y121-M126 HydrophobicContact CD1-CG 4.34Å; Y121-M126 HydrophobicContact CE1-CG 3.98Å; Y121-M126 HydrophobicContact CE1-SD 4.46Å; Y121-M126 PolarHBondContact O-N 3.31Å; Y121-M126 VanDerWaalsContact O-N 3.16Å
122I86.9Confident83.2Confident91 Ų9174 Ų7447%0.46737%0.37SS..Hα-helixtrans-66.9-41.5178.7-65.2168.6000110.6F118 M126F118-I122 WeakPolarHBondContact O-CB 3.41Å; F118-I122 VanDerWaalsContact O-CG1 3.27Å; F118-I122 WeakPolarHBondContact O-CG1 3.38Å; F118-I122 PolarHBondContact O-N 2.96Å; I122-M126 HydrophobicContact CB-SD 4.19Å; I122-M126 HydrophobicContact CG1-SD 3.91Å; I122-M126 HydrophobicContact CG2-SD 4.08Å
123A85.9Confident81.7Confident33 Ų3370.8 Ų70.827%0.27335%0.353SS..Hα-helixtrans-69.3-34.9-177.200000113.4Y119 L120 K127Y119-A123 WeakPolarHBondContact O-CB 3.23Å; Y119-A123 PolarHBondContact O-N 3.39Å; L120-A123 PolarHBondContact O-N 3.18Å; A123-K127 WeakPolarHBondContact O-CD 3.37Å
124K82.6Confident80.3Confident50 Ų5073.5 Ų73.522%0.21737%0.373CS..Hα-helixtrans-111.5-59.2-172-63.4178.8177.7171.90112.8L120 K127 G128 R129 R132L120-K124 WeakPolarHBondContact O-CB 3.24Å; L120-K124 PolarHBondContact O-N 3.49Å; K124-K127 CarbonylContact O-C 3.59Å; K124-K127 PolarHBondContact O-N 2.9Å; K124-K127 VanDerWaalsContact O-N 3.1Å; K124-G128 PolarHBondContact O-N 3.12Å; K124-R129 CarbonylContact C-O 3.27Å; K124-R129 VanDerWaalsContact C-O 3.26Å; K124-R129 HydrophobicContact CB-CB 4.36Å; K124-R129 WeakPolarHBondContact O-CB 3.32Å; K124-R129 PolarHBondContact O-N 2.94Å; K124-R132 PolarHBondContact NZ-O 3.39Å
125V81.6Confident78.6Confident18 Ų1881.8 Ų81.811%0.10944%0.442CS..G310 helixtrans-67.6-43.4-170.3-177.30000111.6T69 Y121 K127 G128 R129 L131T69-V125 HydrophobicContact CG2-CG1 4.34Å; Y121-V125 HydrophobicContact CD2-CB 3.84Å; Y121-V125 HydrophobicContact CD2-CG1 4.06Å; Y121-V125 HydrophobicContact CD2-CG2 3.94Å; Y121-V125 HydrophobicContact CE2-CB 4Å; Y121-V125 HydrophobicContact CE2-CG1 3.72Å; Y121-V125 HydrophobicContact CE2-CG2 4.44Å; Y121-V125 HydrophobicContact CG-CB 4.31Å; Y121-V125 WeakPolarHBondContact O-CA 3.4Å; Y121-V125 WeakPolarHBondContact O-CB 3.32Å; Y121-V125 PolarHBondContact O-N 3.07Å; V125-K127 PolarHBondContact O-N 2.89Å; V125-K127 VanDerWaalsContact O-N 3.15Å; V125-G128 PolarHBondContact O-N 3.38Å; V125-R129 WeakPolarHBondContact CA-O 3.31Å; V125-R129 PolarHBondContact N-O 3.38Å; V125-L131 HydrophobicContact CG2-CB 3.84Å; V125-L131 HydrophobicContact CG2-CD1 3.99Å; V125-L131 HydrophobicContact CG2-CG 4.41Å
126M76.6Confident77.9Confident129 Ų12982.7 Ų82.764%0.63544%0.443SS*.G310 helixtrans-64.3-19.4176.4-68.7-174.166.900113.5Y121 I122 G128Y121-M126 HydrophobicContact CD1-CG 4.34Å; Y121-M126 HydrophobicContact CE1-CG 3.98Å; Y121-M126 HydrophobicContact CE1-SD 4.46Å; Y121-M126 PolarHBondContact O-N 3.31Å; Y121-M126 VanDerWaalsContact O-N 3.16Å; I122-M126 HydrophobicContact CB-SD 4.19Å; I122-M126 HydrophobicContact CG1-SD 3.91Å; I122-M126 HydrophobicContact CG2-SD 4.08Å; M126-G128 VanDerWaalsContact C-N 3.33Å
127K81.9Confident77.4Confident152 Ų15281.2 Ų81.266%0.66144%0.435SS*.G310 helixtrans-93.410.4173.9-60.8-174.3-173.7171.10112.8A123 K124 V125 R129A123-K127 WeakPolarHBondContact O-CD 3.37Å; K124-K127 CarbonylContact O-C 3.59Å; K124-K127 PolarHBondContact O-N 2.9Å; K124-K127 VanDerWaalsContact O-N 3.1Å; V125-K127 PolarHBondContact O-N 2.89Å; V125-K127 VanDerWaalsContact O-N 3.15Å; K127-R129 VanDerWaalsContact C-N 3.29Å; K127-R129 PolarHBondContact O-N 3.14Å
128G77.1Confident76.7Confident71 Ų7185.1 Ų85.173%0.73246%0.456SS*.THydrogen-bonded Turntrans70.421.4-178.600000114.1K124 V125 M126K124-G128 PolarHBondContact O-N 3.12Å; V125-G128 PolarHBondContact O-N 3.38Å; M126-G128 VanDerWaalsContact C-N 3.33Å
129R74.3Confident75.9Confident178 Ų17888.3 Ų88.367%0.67248%0.475SS*.  trans-102.1141.1174.7-60.3-178.2-179.4-177.3-1.5109.7K124 V125 K127K124-R129 CarbonylContact C-O 3.27Å; K124-R129 VanDerWaalsContact C-O 3.26Å; K124-R129 HydrophobicContact CB-CB 4.36Å; K124-R129 WeakPolarHBondContact O-CB 3.32Å; K124-R129 PolarHBondContact O-N 2.94Å; V125-R129 WeakPolarHBondContact CA-O 3.31Å; V125-R129 PolarHBondContact N-O 3.38Å; K127-R129 VanDerWaalsContact C-N 3.29Å; K127-R129 PolarHBondContact O-N 3.14Å
130D69Low75.1Confident104 Ų10483.6 Ų83.656%0.55647%0.465SS*.  trans-61.1143.4176.7-60.6-36.3000111.3R132D130-R132 HydrophobicContact CB-CG 4.26Å; D130-R132 PolarHBondContact O-N 3.49Å
131L65.4Low74.5Confident4 Ų487.9 Ų87.92%0.02149%0.489CS..EExtended strand (participates in β ladder)trans-75.981.5174.8-162.2152.9000108.2I61 E66 A67 F117 L120 V125 L133I61-L131 HydrophobicContact CG2-CD2 4.35Å; E66-L131 WeakPolarHBondContact CA-O 3.35Å; A67-L131 HydrophobicContact CB-CB 4.32Å; A67-L131 HydrophobicContact CB-CD2 4.04Å; A67-L131 PolarHBondContact N-O 3.48Å; A67-L131 VanDerWaalsContact N-O 3.17Å; F117-L131 HydrophobicContact CD2-CD1 4.42Å; F117-L131 HydrophobicContact CE2-CD1 3.85Å; F117-L131 HydrophobicContact CZ-CD1 4.47Å; L120-L131 HydrophobicContact CB-CD1 4.35Å; V125-L131 HydrophobicContact CG2-CB 3.84Å; V125-L131 HydrophobicContact CG2-CD1 3.99Å; V125-L131 HydrophobicContact CG2-CG 4.41Å; L131-L133 HydrophobicContact CD2-CD2 4.48Å
132R67.2Low73.7Confident142 Ų14293 Ų9354%0.53652%0.52SS..EExtended strand (participates in β ladder)trans-100.9123.9170-65.6-172.4161.2171.2-4.7109.7G65 E66 K124 D130G65-R132 CarbonylContact O-C 3.26Å; G65-R132 VanDerWaalsContact O-CA 3.25Å; G65-R132 WeakPolarHBondContact O-CA 3.28Å; E66-R132 HydrophobicContact CG-CG 4.2Å; E66-R132 IonicContact OE1-CZ 3.62Å; E66-R132 IonicContact OE1-NE 2.69Å; E66-R132 PolarHBondContact OE1-NE 3.21Å; E66-R132 IonicContact OE1-NH2 3.56Å; E66-R132 PolarHBondContact OE1-NH2 3.13Å; K124-R132 PolarHBondContact NZ-O 3.39Å; D130-R132 HydrophobicContact CB-CG 4.26Å; D130-R132 PolarHBondContact O-N 3.49Å
133L64.4Low72.7Confident46 Ų4693.2 Ų93.224%0.24152%0.524CS..PPolyproline II helixtrans-73141.8174.3-64.6172000109.7S62 G65 L120 L131 A135S62-L133 VanDerWaalsContact CA-CD1 3.49Å; G65-L133 PolarHBondContact O-N 3.41Å; L120-L133 HydrophobicContact CD1-CD2 3.37Å; L120-L133 HydrophobicContact CD2-CD2 4.44Å; L131-L133 HydrophobicContact CD2-CD2 4.48Å; L133-A135 PolarHBondContact O-N 2.86Å
134P62.7Low71.6Confident109 Ų10998.2 Ų98.271%0.70855%0.545SS*.PPolyproline II helixtrans-61.8135.2170.228-31.3000108.9
135A56.4Low70.6Confident175 Ų175102.5 Ų102.5100%1.44657%0.574SS**  trans-62.20177.900000112.6L133L133-A135 PolarHBondContact O-N 2.86Å

Retrieved 135 of 135 residues in 61.5 ms (Link to these results)

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