A0A077ZDK7_TRITR Loading...

Small ribosomal subunit protein uS13

Located at the top of the head of the 40S subunit, it contacts several helices of the 18S rRNA.

AlphaFold DB , UniProt , Accession A0A077ZDK7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 152 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
1M51.7Low75.2Confident194 Ų194126.6 Ų126.696%0.95664%0.639SS**  0124.80-76.7-179.2-175.600105.7
2S59.8Low76.6Confident66 Ų66126 Ų12646%0.46264%0.637SS.*  trans-75.5142.2173.554.40000109.3V4S2-V4 WeakPolarHBondContact CB-O 3.21Å; S2-V4 PolarHBondContact O-N 3.45Å; S2-V4 PolarHBondContact OG-O 2.76Å
3L66Low77.6Confident187 Ų187117.5 Ų117.598%0.97959%0.594SS**SBendtrans-68-25175.4-82.4163000112.1
4V73.9Confident78.4Confident115 Ų115121.6 Ų121.670%0.69760%0.599SS**SBendtrans-122.5145.4178.9-173.70000108.5S2S2-V4 WeakPolarHBondContact CB-O 3.21Å; S2-V4 PolarHBondContact O-N 3.45Å; S2-V4 PolarHBondContact OG-O 2.76Å
5V73.4Confident79.1Confident110 Ų110114.3 Ų114.367%0.66756%0.563SS**  trans-59.6124.6173.1-1790000107.7E7 F9V5-E7 PolarHBondContact O-N 2.99Å; V5-F9 HydrophobicContact CG1-CB 4.16Å; V5-F9 HydrophobicContact CG1-CG 4.48Å
6P77Confident79.6Confident47 Ų47110 Ų11031%0.30554%0.542SS..  trans-61.4138.517922.9-29.8000110.1R8 F9 E58P6-R8 CarbonylContact O-C 3.56Å; P6-R8 PolarHBondContact O-N 3.46Å; P6-R8 VanDerWaalsContact O-N 3.1Å; P6-F9 PolarHBondContact O-N 3.07Å; P6-E58 HydrophobicContact CG-CG 4.05Å
7E75.4Confident80.1Confident205 Ų205109.9 Ų109.996%0.95854%0.544SS*.SBendtrans-54.5-33.3-177.7-73.5-174.8150.100112.8V5V5-E7 PolarHBondContact O-N 2.99Å
8R82.9Confident80.8Confident232 Ų232105.6 Ų105.688%0.87553%0.525SS*.SBendtrans-98.685.3170.2-74.1-177.6177.2174.2-0.5110.1P6P6-R8 CarbonylContact O-C 3.56Å; P6-R8 PolarHBondContact O-N 3.46Å; P6-R8 VanDerWaalsContact O-N 3.1Å
9F87.1Confident81.5Confident37 Ų37105.8 Ų105.816%0.16253%0.529CS..  trans-107.9121.5168.3-173.3-94.5000110.5V5 P6 H11 G22 N23 R55 E58V5-F9 HydrophobicContact CG1-CB 4.16Å; V5-F9 HydrophobicContact CG1-CG 4.48Å; P6-F9 PolarHBondContact O-N 3.07Å; F9-H11 AromaticContact CD1-CE1 3.57Å; F9-H11 AromaticContact CD1-CG 3.94Å; F9-H11 AromaticContact CD1-ND1 3.63Å; F9-H11 AromaticContact CD1-NE2 3.85Å; F9-H11 AromaticContact CE1-CE1 3.67Å; F9-H11 AromaticContact CE1-CG 3.97Å; F9-H11 AromaticContact CE1-ND1 3.39Å; F9-H11 WeakPolarHBondContact CE1-ND1 3.4Å; F9-G22 WeakPolarHBondContact CZ-O 3.47Å; F9-N23 WeakPolarHBondContact CE1-OD1 3.34Å; F9-N23 WeakPolarHBondContact CZ-OD1 3.34Å; F9-R55 HydrophobicContact CE2-CB 4.31Å; F9-E58 HydrophobicContact CD2-CG 4.23Å; F9-E58 HydrophobicContact CE2-CG 4.22Å
10I90Very high82.1Confident83 Ų83100.9 Ų100.943%0.42650%0.504SS..  trans-93.9109.1178-55.5173.2000108.7I12 L13 G57I10-I12 VanDerWaalsContact CG2-O 3.26Å; I10-I12 WeakPolarHBondContact CG2-O 3.47Å; I10-L13 HydrophobicContact CB-CD1 3.8Å; I10-L13 HydrophobicContact CB-CG 4.41Å; I10-L13 HydrophobicContact CG2-CD1 3.72Å; I10-L13 HydrophobicContact CG2-CG 3.98Å; I10-G57 PolarHBondContact N-O 3.18Å; I10-G57 WeakPolarHBondContact O-CA 3.39Å
11H90.6Very high82.6Confident117 Ų11799.1 Ų99.154%0.54250%0.496SS..SBendtrans-68.3-35.8-179.9-74-73.6000113.4F9 G22F9-H11 AromaticContact CD1-CE1 3.57Å; F9-H11 AromaticContact CD1-CG 3.94Å; F9-H11 AromaticContact CD1-ND1 3.63Å; F9-H11 AromaticContact CD1-NE2 3.85Å; F9-H11 AromaticContact CE1-CE1 3.67Å; F9-H11 AromaticContact CE1-CG 3.97Å; F9-H11 AromaticContact CE1-ND1 3.39Å; F9-H11 WeakPolarHBondContact CE1-ND1 3.4Å; H11-G22 WeakPolarHBondContact O-CA 3.5Å; H11-G22 PolarHBondContact O-N 3.28Å
12I91.8Very high84.6Confident119 Ų11989.9 Ų89.961%0.6145%0.451SS*.EExtended strand (participates in β ladder)trans-127.9111.9-179.3-57.6172.6000107.9I10 N19I10-I12 VanDerWaalsContact CG2-O 3.26Å; I10-I12 WeakPolarHBondContact CG2-O 3.47Å; I12-N19 HydrophobicContact CG2-CB 4.27Å
13L89Confident86.1Confident16 Ų1690.3 Ų90.38%0.08445%0.448CS..EExtended strand (participates in β ladder)trans-93.7139.2169.7-83.488.7000109.3I10 V15 I20 A56 V64I10-L13 HydrophobicContact CB-CD1 3.8Å; I10-L13 HydrophobicContact CB-CG 4.41Å; I10-L13 HydrophobicContact CG2-CD1 3.72Å; I10-L13 HydrophobicContact CG2-CG 3.98Å; L13-V15 HydrophobicContact CB-CG2 4.33Å; L13-I20 HydrophobicContact CB-CB 4.27Å; L13-I20 PolarHBondContact N-O 3.23Å; L13-I20 PolarHBondContact O-N 3.42Å; L13-A56 WeakPolarHBondContact CD1-O 3.36Å; L13-V64 HydrophobicContact CD2-CG2 3.57Å
14R89.6Confident87.5Confident175 Ų17588.2 Ų88.266%0.6643%0.427SS*.EExtended strand (participates in β ladder)trans-106.3113.5170.6-163.6168.6-161-115.8-0.7109.7T18R14-T18 WeakPolarHBondContact CA-O 3.22Å
15V87.9Confident88.4Confident11 Ų1186.8 Ų86.87%0.06741%0.411CS..EExtended strand (participates in β ladder)trans-132132.3-177.9-175.90000108.9L13 N17 T18 I20 I33 V64 V68L13-V15 HydrophobicContact CB-CG2 4.33Å; V15-N17 VanDerWaalsContact C-N 3.3Å; V15-N17 PolarHBondContact O-N 3.49Å; V15-T18 PolarHBondContact N-O 3.05Å; V15-T18 PolarHBondContact O-N 3.31Å; V15-T18 VanDerWaalsContact O-O 3.13Å; V15-T18 PolarHBondContact O-OG1 3.03Å; V15-I20 HydrophobicContact CB-CD1 3.66Å; V15-I20 HydrophobicContact CB-CG1 4.45Å; V15-I20 HydrophobicContact CG1-CD1 4.45Å; V15-I20 HydrophobicContact CG2-CD1 3.82Å; V15-I33 HydrophobicContact CB-CD1 4.27Å; V15-I33 HydrophobicContact CG1-CD1 3.89Å; V15-V64 HydrophobicContact CG2-CG1 3.93Å; V15-V68 HydrophobicContact CG1-CG2 3.6Å
16M87Confident89.4Confident46 Ų4681.6 Ų81.623%0.22738%0.38CS..THydrogen-bonded Turntrans49.746.2177.1-67-68.5-81.300113.7T18 I33 V68 N72 L99 S100M16-T18 PolarHBondContact O-N 3.33Å; M16-I33 HydrophobicContact CB-CD1 4.33Å; M16-I33 HydrophobicContact CB-CG2 4.27Å; M16-V68 HydrophobicContact SD-CG1 4.12Å; M16-N72 WeakPolarHBondContact CE-OD1 3.26Å; M16-L99 HydrophobicContact CE-CB 3.91Å; M16-L99 HydrophobicContact CE-CD1 3.92Å; M16-S100 VanDerWaalsContact O-CB 3.24Å; M16-S100 WeakPolarHBondContact O-CB 3.15Å
17N89.2Confident90.2Very high108 Ų10879.3 Ų79.358%0.57837%0.365SS*.THydrogen-bonded Turntrans62.219.3-177.1-62.4-39.9000115.5V15V15-N17 VanDerWaalsContact C-N 3.3Å; V15-N17 PolarHBondContact O-N 3.49Å
18T92.1Very high91.1Very high32 Ų3274.6 Ų74.620%0.19634%0.339CS..EExtended strand (participates in β ladder)trans-125.9147.1176.262.50000111.4R14 V15 M16 I33R14-T18 WeakPolarHBondContact CA-O 3.22Å; V15-T18 PolarHBondContact N-O 3.05Å; V15-T18 PolarHBondContact O-N 3.31Å; V15-T18 VanDerWaalsContact O-O 3.13Å; V15-T18 PolarHBondContact O-OG1 3.03Å; M16-T18 PolarHBondContact O-N 3.33Å; T18-I33 VanDerWaalsContact OG1-CG1 3.23Å; T18-I33 WeakPolarHBondContact OG1-CG1 3.47Å
19N94.2Very high91.7Very high111 Ų11163.7 Ų63.759%0.59430%0.299SS*.EExtended strand (participates in β ladder)trans-85.8125.6174.7-62.4-13.9000108.7I12I12-N19 HydrophobicContact CG2-CB 4.27Å
20I93.3Very high92Very high7 Ų762.3 Ų62.34%0.03629%0.293CS..EExtended strand (participates in β ladder)trans-109.7133.5179.5-62.2-172.7000108.5L13 V15 G22 A29 L30 A32 I33 A56L13-I20 HydrophobicContact CB-CB 4.27Å; L13-I20 PolarHBondContact N-O 3.23Å; L13-I20 PolarHBondContact O-N 3.42Å; V15-I20 HydrophobicContact CB-CD1 3.66Å; V15-I20 HydrophobicContact CB-CG1 4.45Å; V15-I20 HydrophobicContact CG1-CD1 4.45Å; V15-I20 HydrophobicContact CG2-CD1 3.82Å; I20-G22 PolarHBondContact O-N 3.28Å; I20-A29 HydrophobicContact CG2-CB 3.5Å; I20-A29 VanDerWaalsContact CG2-CB 3.5Å; I20-L30 HydrophobicContact CD1-CD2 4.18Å; I20-A32 HydrophobicContact CG1-CB 4.46Å; I20-I33 HydrophobicContact CD1-CD1 3.91Å; I20-I33 HydrophobicContact CD1-CG1 4.11Å; I20-A56 HydrophobicContact CG2-CB 4.41Å
21D93.9Very high92.2Very high64 Ų6460.9 Ų60.934%0.34229%0.288SS..EExtended strand (participates in β ladder)trans-76.5114.5175.6177.69.6000110.7N23 R24D21-N23 PolarHBondContact O-N 3.33Å; D21-N23 WeakPolarHBondContact OD1-CB 3.44Å; D21-N23 PolarHBondContact OD1-N 3.19Å; D21-R24 HydrophobicContact CB-CG 4.41Å; D21-R24 PolarHBondContact O-N 3.26Å; D21-R24 WeakPolarHBondContact OD2-CG 3.46Å; D21-R24 IonicContact OD2-NE 2.92Å; D21-R24 PolarHBondContact OD2-NE 3.32Å
22G92.5Very high92.4Very high0 Ų057.9 Ų57.90%028%0.283CS..THydrogen-bonded Turntrans-65.6-24.6179.500000113.6F9 H11 I20 R24 A56 G57F9-G22 WeakPolarHBondContact CZ-O 3.47Å; H11-G22 WeakPolarHBondContact O-CA 3.5Å; H11-G22 PolarHBondContact O-N 3.28Å; I20-G22 PolarHBondContact O-N 3.28Å; G22-R24 VanDerWaalsContact C-N 3.27Å; G22-R24 PolarHBondContact O-N 3.26Å; G22-A56 PolarHBondContact O-N 3.45Å; G22-G57 PolarHBondContact O-N 2.98Å
23N92.4Very high92.5Very high74 Ų7452.2 Ų52.240%0.39625%0.254SS..THydrogen-bonded Turntrans-73.3-22-178.8-66.5-38.7000112.5F9 D21 R55F9-N23 WeakPolarHBondContact CE1-OD1 3.34Å; F9-N23 WeakPolarHBondContact CZ-OD1 3.34Å; D21-N23 PolarHBondContact O-N 3.33Å; D21-N23 WeakPolarHBondContact OD1-CB 3.44Å; D21-N23 PolarHBondContact OD1-N 3.19Å; N23-R55 PolarHBondContact O-NH1 2.92Å
24R93.4Very high92.8Very high143 Ų14356.4 Ų56.454%0.5427%0.272SS..SBendtrans-79.3153.1178.6-72177.5-178.8-159-4.3111.1D21 G22 A29 A56D21-R24 HydrophobicContact CB-CG 4.41Å; D21-R24 PolarHBondContact O-N 3.26Å; D21-R24 WeakPolarHBondContact OD2-CG 3.46Å; D21-R24 IonicContact OD2-NE 2.92Å; D21-R24 PolarHBondContact OD2-NE 3.32Å; G22-R24 VanDerWaalsContact C-N 3.27Å; G22-R24 PolarHBondContact O-N 3.26Å; R24-A29 HydrophobicContact CB-CB 3.99Å; R24-A56 PolarHBondContact O-N 3.41Å
25K93.8Very high93Very high85 Ų8549.1 Ų49.137%0.3725%0.252SS..BIsolated β-bridgetrans-63.1144.5169.1-60.5177.8175.3173.10109.8P27 Y28 A29 K54K25-P27 VanDerWaalsContact C-CD 3.4Å; K25-Y28 HydrophobicContact CB-CD2 4.02Å; K25-Y28 PolarHBondContact O-N 3.46Å; K25-A29 PolarHBondContact O-N 2.74Å; K25-K54 WeakPolarHBondContact CA-O 3.43Å
26I93.5Very high93.4Very high1 Ų149.1 Ų49.11%0.00525%0.251CS..Hα-helixtrans-47.8-50-171-59.2163.7000113.8Y28 A29 L30 C45 I50 K54 A56 L59 L67I26-Y28 PolarHBondContact O-N 3.39Å; I26-A29 PolarHBondContact O-N 3.38Å; I26-A29 VanDerWaalsContact O-N 3.15Å; I26-L30 HydrophobicContact CG2-CD1 3.93Å; I26-L30 HydrophobicContact CG2-CG 4.22Å; I26-L30 WeakPolarHBondContact O-CG 3.47Å; I26-L30 PolarHBondContact O-N 3.19Å; I26-C45 VanDerWaalsContact CG2-SG 3.51Å; I26-I50 HydrophobicContact CD1-CG2 3.58Å; I26-K54 HydrophobicContact CD1-CB 3.65Å; I26-K54 HydrophobicContact CG1-CB 4.49Å; I26-K54 WeakPolarHBondContact CG1-O 3.35Å; I26-K54 PolarHBondContact N-O 2.99Å; I26-A56 HydrophobicContact CG1-CB 4.44Å; I26-L59 HydrophobicContact CD1-CD1 4.18Å; I26-L59 HydrophobicContact CD1-CD2 3.88Å; I26-L59 HydrophobicContact CD1-CG 3.93Å; I26-L59 HydrophobicContact CG1-CD1 3.97Å; I26-L59 HydrophobicContact CG1-CG 4.19Å; I26-L59 HydrophobicContact CG2-CD1 4.23Å; I26-L67 HydrophobicContact CG2-CD1 4.22Å
27P93.7Very high93.8Very high0 Ų048.8 Ų48.80%026%0.26CS..Hα-helixtrans-64-30.4-175-14.325.9000113.1K25 T31 V52K25-P27 VanDerWaalsContact C-CD 3.4Å; P27-T31 WeakPolarHBondContact O-CG2 3.38Å; P27-V52 HydrophobicContact CG-CB 4.48Å; P27-V52 HydrophobicContact CG-CG1 3.54Å
28Y95.3Very high94Very high106 Ų10652 Ų5242%0.41626%0.264SS..Hα-helixtrans-84.9-34.6178.1-55.8-64.6000111.1K25 I26 L30 T31 R38K25-Y28 HydrophobicContact CB-CD2 4.02Å; K25-Y28 PolarHBondContact O-N 3.46Å; I26-Y28 PolarHBondContact O-N 3.39Å; Y28-L30 VanDerWaalsContact C-N 3.34Å; Y28-T31 WeakPolarHBondContact O-CB 3.47Å; Y28-T31 PolarHBondContact O-N 3.09Å; Y28-T31 PolarHBondContact O-OG1 3.1Å; Y28-R38 HydrophobicContact CD1-CG 4.35Å
29A95Very high94.2Very high3 Ų358.7 Ų58.73%0.02529%0.285CS..Hα-helixtrans-61.6-44175.500000111I20 R24 K25 I26 T31 A32 A56I20-A29 HydrophobicContact CG2-CB 3.5Å; I20-A29 VanDerWaalsContact CG2-CB 3.5Å; R24-A29 HydrophobicContact CB-CB 3.99Å; K25-A29 PolarHBondContact O-N 2.74Å; I26-A29 PolarHBondContact O-N 3.38Å; I26-A29 VanDerWaalsContact O-N 3.15Å; A29-T31 PolarHBondContact O-N 3.28Å; A29-T31 VanDerWaalsContact O-N 3.12Å; A29-A32 WeakPolarHBondContact O-CB 3.36Å; A29-A32 PolarHBondContact O-N 2.85Å; A29-A56 HydrophobicContact CB-CB 3.57Å
30L93.5Very high94.2Very high8 Ų853.8 Ų53.84%0.04226%0.259CS..G310 helixtrans-60.9-21.8176.9-70.9174.5000114I20 I26 Y28 A32 I33 V36 M71I20-L30 HydrophobicContact CD1-CD2 4.18Å; I26-L30 HydrophobicContact CG2-CD1 3.93Å; I26-L30 HydrophobicContact CG2-CG 4.22Å; I26-L30 WeakPolarHBondContact O-CG 3.47Å; I26-L30 PolarHBondContact O-N 3.19Å; Y28-L30 VanDerWaalsContact C-N 3.34Å; L30-A32 PolarHBondContact O-N 3.17Å; L30-A32 VanDerWaalsContact O-N 3.15Å; L30-I33 HydrophobicContact CD2-CD1 4.22Å; L30-I33 WeakPolarHBondContact O-CB 3.33Å; L30-I33 PolarHBondContact O-N 3.35Å; L30-V36 HydrophobicContact CB-CG1 4.02Å; L30-M71 HydrophobicContact CD2-SD 4.28Å
31T94.9Very high94.2Very high53 Ų5353.5 Ų53.533%0.32526%0.257SS..G310 helixtrans-68.3-10.9179.166.50000113.9P27 Y28 A29 I33 V36 R38P27-T31 WeakPolarHBondContact O-CG2 3.38Å; Y28-T31 WeakPolarHBondContact O-CB 3.47Å; Y28-T31 PolarHBondContact O-N 3.09Å; Y28-T31 PolarHBondContact O-OG1 3.1Å; A29-T31 PolarHBondContact O-N 3.28Å; A29-T31 VanDerWaalsContact O-N 3.12Å; T31-I33 PolarHBondContact O-N 2.94Å; T31-V36 WeakPolarHBondContact CA-O 3.42Å; T31-R38 HydrophobicContact CG2-CB 4.44Å; T31-R38 HydrophobicContact CG2-CG 3.84Å
32A94.7Very high94.3Very high53 Ų5353 Ų5344%0.43825%0.253SS..G310 helixtrans-64.9-27.5169.900000112.3I20 A29 L30 K34I20-A32 HydrophobicContact CG1-CB 4.46Å; A29-A32 WeakPolarHBondContact O-CB 3.36Å; A29-A32 PolarHBondContact O-N 2.85Å; L30-A32 PolarHBondContact O-N 3.17Å; L30-A32 VanDerWaalsContact O-N 3.15Å; A32-K34 PolarHBondContact O-N 2.84Å
33I94.3Very high94.4Very high0 Ų054.2 Ų54.20%026%0.263CS..SBendtrans-75.2121.7175.8-57.8167.2000109.1V15 M16 T18 I20 L30 T31 G35 V36 M71V15-I33 HydrophobicContact CB-CD1 4.27Å; V15-I33 HydrophobicContact CG1-CD1 3.89Å; M16-I33 HydrophobicContact CB-CD1 4.33Å; M16-I33 HydrophobicContact CB-CG2 4.27Å; T18-I33 VanDerWaalsContact OG1-CG1 3.23Å; T18-I33 WeakPolarHBondContact OG1-CG1 3.47Å; I20-I33 HydrophobicContact CD1-CD1 3.91Å; I20-I33 HydrophobicContact CD1-CG1 4.11Å; L30-I33 HydrophobicContact CD2-CD1 4.22Å; L30-I33 WeakPolarHBondContact O-CB 3.33Å; L30-I33 PolarHBondContact O-N 3.35Å; T31-I33 PolarHBondContact O-N 2.94Å; I33-G35 PolarHBondContact O-N 3.4Å; I33-V36 HydrophobicContact CB-CB 4.31Å; I33-V36 HydrophobicContact CB-CG2 3.99Å; I33-V36 HydrophobicContact CG2-CG2 4.04Å; I33-V36 PolarHBondContact O-N 2.87Å; I33-M71 HydrophobicContact CD1-CE 3.61Å; I33-M71 HydrophobicContact CD1-SD 4.33Å; I33-M71 HydrophobicContact CG2-CE 4.24Å
34K94.7Very high94.5Very high104 Ų10450.7 Ų50.745%0.45224%0.244SC..THydrogen-bonded Turntrans-56.9134172.2-69.2-174.7178-177.70110.5A32 V36 L99 S100 L103 D104A32-K34 PolarHBondContact O-N 2.84Å; K34-V36 VanDerWaalsContact C-N 3.34Å; K34-L99 CarbonylContact O-C 3.56Å; K34-L99 WeakPolarHBondContact O-CA 3.46Å; K34-S100 PolarHBondContact O-N 3.38Å; K34-L103 HydrophobicContact CB-CD2 4.25Å; K34-D104 IonicContact NZ-OD1 2.7Å; K34-D104 PolarHBondContact NZ-OD1 3.29Å; K34-D104 IonicContact NZ-OD2 2.87Å; K34-D104 PolarHBondContact NZ-OD2 2.72Å
35G93.9Very high94.5Very high23 Ų2343.9 Ų43.924%0.23722%0.218CC..THydrogen-bonded Turntrans90.9-10.7-174.800000114.2I33 Q97I33-G35 PolarHBondContact O-N 3.4Å; G35-Q97 PolarHBondContact O-NE2 2.66Å
36V95.3Very high94.5Very high10 Ų1048.6 Ų48.66%0.06123%0.234CC..  trans-104.2110.2173-179.20000110.4L30 T31 I33 K34 F40 M71 L99L30-V36 HydrophobicContact CB-CG1 4.02Å; T31-V36 WeakPolarHBondContact CA-O 3.42Å; I33-V36 HydrophobicContact CB-CB 4.31Å; I33-V36 HydrophobicContact CB-CG2 3.99Å; I33-V36 HydrophobicContact CG2-CG2 4.04Å; I33-V36 PolarHBondContact O-N 2.87Å; K34-V36 VanDerWaalsContact C-N 3.34Å; V36-F40 HydrophobicContact CB-CD1 4.38Å; V36-F40 HydrophobicContact CG1-CD1 4.01Å; V36-F40 HydrophobicContact CG2-CD1 4.12Å; V36-F40 HydrophobicContact CG2-CE1 4.41Å; V36-M71 HydrophobicContact CG2-CE 3.35Å; V36-M71 HydrophobicContact CG2-SD 4.35Å; V36-L99 HydrophobicContact CG2-CD2 3.76Å
37G95.3Very high94.4Very high39 Ų3952.9 Ų52.940%0.40225%0.253SS..  trans-90.7171.1169.500000112.2R39 F40 G41G37-R39 VanDerWaalsContact C-N 3.31Å; G37-R39 PolarHBondContact O-N 3.49Å; G37-F40 PolarHBondContact O-N 3.18Å; G37-F40 VanDerWaalsContact O-N 3.08Å; G37-G41 PolarHBondContact O-N 3.05Å
38R95Very high94.4Very high177 Ų17753 Ų5367%0.66825%0.254SS*.Hα-helixtrans-53.9-47.4177.9-63.4177.1-176.2175.60.4112Y28 T31 F40 G41 H42Y28-R38 HydrophobicContact CD1-CG 4.35Å; T31-R38 HydrophobicContact CG2-CB 4.44Å; T31-R38 HydrophobicContact CG2-CG 3.84Å; R38-F40 VanDerWaalsContact C-N 3.32Å; R38-F40 PolarHBondContact O-N 3.05Å; R38-G41 PolarHBondContact O-N 3.48Å; R38-H42 PolarHBondContact O-CD2 3.08Å; R38-H42 VanDerWaalsContact O-CD2 3.26Å; R38-H42 PolarHBondContact O-N 2.84Å
39R95.3Very high94.3Very high171 Ų17154.5 Ų54.565%0.64527%0.269SS*.Hα-helixtrans-63.1-39.2179.6-162.5-176.1173.7-164.8-1.8111.9G37 A43 F83G37-R39 VanDerWaalsContact C-N 3.31Å; G37-R39 PolarHBondContact O-N 3.49Å; R39-A43 PolarHBondContact O-N 3.44Å; R39-F83 HydrophobicContact CB-CZ 4.31Å; R39-F83 HydrophobicContact CG-CE2 3.95Å; R39-F83 HydrophobicContact CG-CZ 3.84Å
40F94.9Very high94.1Very high9 Ų954.9 Ų54.94%0.03927%0.27CS..Hα-helixtrans-69.3-45.8177.4-168.9-97.4000111V36 G37 R38 H42 A43 V44 M71 P74 I79 F83 Q97V36-F40 HydrophobicContact CB-CD1 4.38Å; V36-F40 HydrophobicContact CG1-CD1 4.01Å; V36-F40 HydrophobicContact CG2-CD1 4.12Å; V36-F40 HydrophobicContact CG2-CE1 4.41Å; G37-F40 PolarHBondContact O-N 3.18Å; G37-F40 VanDerWaalsContact O-N 3.08Å; R38-F40 VanDerWaalsContact C-N 3.32Å; R38-F40 PolarHBondContact O-N 3.05Å; F40-H42 VanDerWaalsContact C-N 3.32Å; F40-H42 PolarHBondContact O-N 3.37Å; F40-A43 WeakPolarHBondContact O-CB 3.36Å; F40-A43 PolarHBondContact O-N 3.3Å; F40-V44 HydrophobicContact CD1-CG2 3.76Å; F40-V44 HydrophobicContact CE1-CG2 3.46Å; F40-V44 VanDerWaalsContact CE1-CG2 3.46Å; F40-V44 HydrophobicContact CG-CG2 4.43Å; F40-V44 HydrophobicContact CZ-CG2 3.86Å; F40-V44 WeakPolarHBondContact O-CG2 3.35Å; F40-V44 PolarHBondContact O-N 2.97Å; F40-M71 HydrophobicContact CE1-CG 4.22Å; F40-P74 HydrophobicContact CZ-CB 4.36Å; F40-I79 HydrophobicContact CE2-CD1 4.32Å; F40-F83 HydrophobicContact CB-CE1 4.22Å; F40-F83 AromaticContact CD2-CD1 3.79Å; F40-F83 HydrophobicContact CD2-CD1 3.79Å; F40-F83 AromaticContact CD2-CE1 3.45Å; F40-F83 HydrophobicContact CD2-CE1 3.45Å; F40-F83 VanDerWaalsContact CD2-CE1 3.45Å; F40-F83 HydrophobicContact CE2-CD1 4.22Å; F40-F83 HydrophobicContact CE2-CE1 4.24Å; F40-F83 HydrophobicContact CG-CE1 4.25Å; F40-Q97 HydrophobicContact CE1-CG 4.12Å; F40-Q97 HydrophobicContact CE2-CG 4.02Å; F40-Q97 HydrophobicContact CZ-CB 4.29Å; F40-Q97 HydrophobicContact CZ-CG 3.66Å
41G93.5Very high94Very high0 Ų057.1 Ų57.10%029%0.287CS..Hα-helixtrans-55.3-45.317400000112.4G37 R38 A43 V44 C45G37-G41 PolarHBondContact O-N 3.05Å; R38-G41 PolarHBondContact O-N 3.48Å; G41-A43 PolarHBondContact O-N 3.35Å; G41-V44 PolarHBondContact O-N 3.22Å; G41-C45 PolarHBondContact O-N 2.97Å; G41-C45 PolarHBondContact O-SG 3.06Å
42H95.4Very high93.9Very high53 Ų5356.2 Ų56.225%0.24528%0.281CS..Hα-helixtrans-61.9-41.9173.6-86.7-79.7000113.4R38 F40 R46 V52R38-H42 PolarHBondContact O-CD2 3.08Å; R38-H42 VanDerWaalsContact O-CD2 3.26Å; R38-H42 PolarHBondContact O-N 2.84Å; F40-H42 VanDerWaalsContact C-N 3.32Å; F40-H42 PolarHBondContact O-N 3.37Å; H42-R46 WeakPolarHBondContact O-CB 3.09Å; H42-R46 WeakPolarHBondContact O-CG 3.4Å; H42-R46 PolarHBondContact O-N 3.19Å; H42-V52 WeakPolarHBondContact CE1-CG1 3.45Å; H42-V52 WeakPolarHBondContact ND1-CG1 3.36Å
43A94.1Very high93.7Very high26 Ų2659.4 Ų59.422%0.21529%0.286CS..Hα-helixtrans-63.3-45.3178.100000111.1R39 F40 G41 R46 K47 F83R39-A43 PolarHBondContact O-N 3.44Å; F40-A43 WeakPolarHBondContact O-CB 3.36Å; F40-A43 PolarHBondContact O-N 3.3Å; G41-A43 PolarHBondContact O-N 3.35Å; A43-R46 PolarHBondContact O-N 2.95Å; A43-K47 WeakPolarHBondContact O-CG 3.43Å; A43-K47 PolarHBondContact O-N 3.3Å; A43-F83 HydrophobicContact CB-CE1 3.85Å; A43-F83 HydrophobicContact CB-CZ 4.17Å
44V94.1Very high93.5Very high0 Ų062.6 Ų62.60%030%0.3CS..Hα-helixtrans-62.3-48.2177.5175.10000110.7F40 G41 R46 K47 A48 L67 I70 M71 I79F40-V44 HydrophobicContact CD1-CG2 3.76Å; F40-V44 HydrophobicContact CE1-CG2 3.46Å; F40-V44 VanDerWaalsContact CE1-CG2 3.46Å; F40-V44 HydrophobicContact CG-CG2 4.43Å; F40-V44 HydrophobicContact CZ-CG2 3.86Å; F40-V44 WeakPolarHBondContact O-CG2 3.35Å; F40-V44 PolarHBondContact O-N 2.97Å; G41-V44 PolarHBondContact O-N 3.22Å; V44-R46 VanDerWaalsContact C-N 3.29Å; V44-R46 PolarHBondContact O-N 3.15Å; V44-K47 CarbonylContact O-C 3.59Å; V44-K47 PolarHBondContact O-N 3.33Å; V44-A48 WeakPolarHBondContact O-CB 3.39Å; V44-A48 PolarHBondContact O-N 3.05Å; V44-L67 HydrophobicContact CG1-CD2 3.6Å; V44-I70 HydrophobicContact CB-CG2 4.37Å; V44-I70 HydrophobicContact CG1-CB 4.16Å; V44-I70 HydrophobicContact CG1-CG2 3.85Å; V44-I70 HydrophobicContact CG2-CG2 4.25Å; V44-M71 HydrophobicContact CG1-CG 3.9Å; V44-M71 HydrophobicContact CG2-CG 4.05Å; V44-I79 HydrophobicContact CG2-CD1 4.47Å
45C93.9Very high93.4Very high0 Ų063.5 Ų63.50%030%0.301CS..Hα-helixtrans-58.6-41.1177.4-66.50000112.3I26 G41 K47 A48 D49 I50I26-C45 VanDerWaalsContact CG2-SG 3.51Å; G41-C45 PolarHBondContact O-N 2.97Å; G41-C45 PolarHBondContact O-SG 3.06Å; C45-K47 VanDerWaalsContact C-N 3.33Å; C45-K47 PolarHBondContact O-N 3.3Å; C45-A48 PolarHBondContact O-N 3.03Å; C45-D49 PolarHBondContact O-N 2.89Å; C45-I50 PolarHBondContact O-N 2.93Å
46R93.3Very high93.3Very high185 Ų18562.5 Ų62.570%0.69829%0.291SS*.Hα-helixtrans-66.7-32.8176.6-75.7-177.9180-173.60.3112.9H42 A43 V44H42-R46 WeakPolarHBondContact O-CB 3.09Å; H42-R46 WeakPolarHBondContact O-CG 3.4Å; H42-R46 PolarHBondContact O-N 3.19Å; A43-R46 PolarHBondContact O-N 2.95Å; V44-R46 VanDerWaalsContact C-N 3.29Å; V44-R46 PolarHBondContact O-N 3.15Å
47K93.1Very high93Very high91 Ų9162.1 Ų62.140%0.39629%0.288SS..Hα-helixtrans-79.9-24.3175.8-67.5-57.2-174-178.20113A43 V44 C45 D49 I70 F77 I79A43-K47 WeakPolarHBondContact O-CG 3.43Å; A43-K47 PolarHBondContact O-N 3.3Å; V44-K47 CarbonylContact O-C 3.59Å; V44-K47 PolarHBondContact O-N 3.33Å; C45-K47 VanDerWaalsContact C-N 3.33Å; C45-K47 PolarHBondContact O-N 3.3Å; K47-D49 VanDerWaalsContact C-N 3.26Å; K47-I70 HydrophobicContact CB-CG2 4.35Å; K47-F77 WeakPolarHBondContact CD-O 3.39Å; K47-I79 HydrophobicContact CG-CG1 4.37Å
48A92.7Very high92.8Very high3 Ų362.6 Ų62.63%0.02528%0.28CS..THydrogen-bonded Turntrans-80.8-8.3174.300000113V44 C45 I50 K66 L67 I70V44-A48 WeakPolarHBondContact O-CB 3.39Å; V44-A48 PolarHBondContact O-N 3.05Å; C45-A48 PolarHBondContact O-N 3.03Å; A48-I50 HydrophobicContact CB-CB 4.44Å; A48-I50 HydrophobicContact CB-CD1 3.66Å; A48-I50 HydrophobicContact CB-CG1 3.85Å; A48-I50 PolarHBondContact O-N 2.6Å; A48-K66 HydrophobicContact CB-CD 4.47Å; A48-K66 WeakPolarHBondContact O-CE 3.42Å; A48-K66 PolarHBondContact O-NZ 3.46Å; A48-L67 HydrophobicContact CB-CD2 3.87Å; A48-I70 HydrophobicContact CB-CD1 3.54Å
49D92.5Very high92.6Very high136 Ų13654.9 Ų54.973%0.72725%0.252SS*.THydrogen-bonded Turntrans5930.8-170.3-52.9-56.7000113.3C45 K47 K66C45-D49 PolarHBondContact O-N 2.89Å; K47-D49 VanDerWaalsContact C-N 3.26Å; D49-K66 IonicContact OD2-NZ 3.81Å
50I91.3Very high92.4Very high11 Ų1149.4 Ų49.46%0.05624%0.24CC..  trans-97.2133.2178.7-61.3167.1000109.6I26 C45 A48 V52 L59 E63 L67I26-I50 HydrophobicContact CD1-CG2 3.58Å; C45-I50 PolarHBondContact O-N 2.93Å; A48-I50 HydrophobicContact CB-CB 4.44Å; A48-I50 HydrophobicContact CB-CD1 3.66Å; A48-I50 HydrophobicContact CB-CG1 3.85Å; A48-I50 PolarHBondContact O-N 2.6Å; I50-V52 PolarHBondContact O-N 2.86Å; I50-L59 HydrophobicContact CD1-CD2 4.05Å; I50-L59 HydrophobicContact CG2-CD2 4.17Å; I50-E63 HydrophobicContact CD1-CB 3.84Å; I50-E63 HydrophobicContact CD1-CG 4.15Å; I50-E63 HydrophobicContact CG1-CG 4.29Å; I50-L67 HydrophobicContact CD1-CD1 3.99Å; I50-L67 HydrophobicContact CD1-CD2 3.87Å; I50-L67 HydrophobicContact CD1-CG 3.72Å
51S92.5Very high92.2Very high56 Ų5657.2 Ų57.239%0.39228%0.277SS..  trans-61.9126.1177177.60000111.7H53 K54S51-H53 PolarHBondContact O-N 3.38Å; S51-H53 PolarHBondContact OG-N 3.37Å; S51-K54 PolarHBondContact O-N 3.39Å
52V91.8Very high92.1Very high33 Ų3360.6 Ų60.620%0.231%0.305CS..THydrogen-bonded Turntrans-64.4-21.1-180-176.70000112.4P27 H42 I50P27-V52 HydrophobicContact CG-CB 4.48Å; P27-V52 HydrophobicContact CG-CG1 3.54Å; H42-V52 WeakPolarHBondContact CE1-CG1 3.45Å; H42-V52 WeakPolarHBondContact ND1-CG1 3.36Å; I50-V52 PolarHBondContact O-N 2.86Å
53H90.9Very high92Very high120 Ų12060 Ų6056%0.55630%0.302SS*.THydrogen-bonded Turntrans-88.2-15.7-176.8-59.8-76.2000113.6S51S51-H53 PolarHBondContact O-N 3.38Å; S51-H53 PolarHBondContact OG-N 3.37Å
54K90.2Very high92Very high68 Ų6860.1 Ų60.130%0.29630%0.3SS..SBendtrans-62.8151174.3-76.9-176.2179.4-172.90110.7K25 I26 S51 E63K25-K54 WeakPolarHBondContact CA-O 3.43Å; I26-K54 HydrophobicContact CD1-CB 3.65Å; I26-K54 HydrophobicContact CG1-CB 4.49Å; I26-K54 WeakPolarHBondContact CG1-O 3.35Å; I26-K54 PolarHBondContact N-O 2.99Å; S51-K54 PolarHBondContact O-N 3.39Å; K54-E63 IonicContact NZ-OE1 3.69Å; K54-E63 PolarHBondContact NZ-OE1 2.97Å; K54-E63 IonicContact NZ-OE2 3.82Å
55R91.6Very high91.9Very high122 Ų12266.4 Ų66.446%0.4633%0.33SS..BIsolated β-bridgetrans-82154.3169.5-65.2-172.5-176.4-125.411.6110.3F9 N23 G57 E58F9-R55 HydrophobicContact CE2-CB 4.31Å; N23-R55 PolarHBondContact O-NH1 2.92Å; R55-G57 PolarHBondContact O-N 3.05Å; R55-E58 HydrophobicContact CB-CG 4.09Å; R55-E58 PolarHBondContact N-OE2 3.41Å; R55-E58 PolarHBondContact O-N 3.42Å
56A92.1Very high91.9Very high3 Ų370.4 Ų70.43%0.02535%0.347CS..G310 helixtrans-65.1-30.3179.900000112.5L13 I20 G22 R24 I26 A29 E58 L59L13-A56 WeakPolarHBondContact CD1-O 3.36Å; I20-A56 HydrophobicContact CG2-CB 4.41Å; G22-A56 PolarHBondContact O-N 3.45Å; R24-A56 PolarHBondContact O-N 3.41Å; I26-A56 HydrophobicContact CG1-CB 4.44Å; A29-A56 HydrophobicContact CB-CB 3.57Å; A56-E58 PolarHBondContact O-N 3.18Å; A56-L59 HydrophobicContact CB-CD1 4.46Å; A56-L59 WeakPolarHBondContact O-CB 3.27Å; A56-L59 PolarHBondContact O-N 3.3Å
57G90Very high91.9Very high1 Ų161.9 Ų61.91%0.0132%0.315CS..G310 helixtrans-72.9-10.6176.300000114.9I10 G22 R55I10-G57 PolarHBondContact N-O 3.18Å; I10-G57 WeakPolarHBondContact O-CA 3.39Å; G22-G57 PolarHBondContact O-N 2.98Å; R55-G57 PolarHBondContact O-N 3.05Å
58E91.1Very high91.9Very high50 Ų5059 Ų5923%0.23431%0.305CS..G310 helixtrans-92-1.7175.7-58.5168-166.200112.4P6 F9 R55 A56P6-E58 HydrophobicContact CG-CG 4.05Å; F9-E58 HydrophobicContact CD2-CG 4.23Å; F9-E58 HydrophobicContact CE2-CG 4.22Å; R55-E58 HydrophobicContact CB-CG 4.09Å; R55-E58 PolarHBondContact N-OE2 3.41Å; R55-E58 PolarHBondContact O-N 3.42Å; A56-E58 PolarHBondContact O-N 3.18Å
59L89.7Confident92Very high14 Ų1461.7 Ų61.77%0.07332%0.321CS..  trans-69.6135.4179.5-81161.8000110.7I26 I50 A56 E63 V64 L67I26-L59 HydrophobicContact CD1-CD1 4.18Å; I26-L59 HydrophobicContact CD1-CD2 3.88Å; I26-L59 HydrophobicContact CD1-CG 3.93Å; I26-L59 HydrophobicContact CG1-CD1 3.97Å; I26-L59 HydrophobicContact CG1-CG 4.19Å; I26-L59 HydrophobicContact CG2-CD1 4.23Å; I50-L59 HydrophobicContact CD1-CD2 4.05Å; I50-L59 HydrophobicContact CG2-CD2 4.17Å; A56-L59 HydrophobicContact CB-CD1 4.46Å; A56-L59 WeakPolarHBondContact O-CB 3.27Å; A56-L59 PolarHBondContact O-N 3.3Å; L59-E63 WeakPolarHBondContact CA-OE2 3.37Å; L59-E63 HydrophobicContact CD2-CB 3.61Å; L59-E63 HydrophobicContact CD2-CG 4.45Å; L59-V64 HydrophobicContact CB-CG2 3.86Å; L59-V64 HydrophobicContact CD1-CG2 4.29Å; L59-L67 HydrophobicContact CD1-CD1 4.01Å; L59-L67 HydrophobicContact CD2-CD1 4.04Å
60S91.2Very high92Very high57 Ų5755.2 Ų55.240%0.39929%0.287SS..  trans-75.1156.5166.175.20000110.8A62 E63 V64S60-A62 PolarHBondContact O-N 3Å; S60-E63 PolarHBondContact N-OE2 3.45Å; S60-E63 WeakPolarHBondContact O-CB 3.28Å; S60-E63 PolarHBondContact O-N 2.9Å; S60-E63 WeakPolarHBondContact OG-CG 3.2Å; S60-E63 PolarHBondContact OG-N 2.88Å; S60-V64 WeakPolarHBondContact O-CG2 3.2Å; S60-V64 PolarHBondContact O-N 3.04Å
61E90.5Very high92.1Very high172 Ų17254.7 Ų54.780%0.80428%0.284SS*.Hα-helixtrans-58.4-38177.8-170.1163.4-160.700112.2E63 V64 E65E61-E63 PolarHBondContact O-N 3.25Å; E61-V64 WeakPolarHBondContact O-CB 3.33Å; E61-V64 PolarHBondContact O-N 3.15Å; E61-E65 PolarHBondContact O-N 2.97Å
62A92.8Very high92.1Very high72 Ų7255.6 Ų55.660%0.59529%0.285SS*.Hα-helixtrans-64.8-38.7174.200000112.9S60 V64 E65 K66S60-A62 PolarHBondContact O-N 3Å; A62-V64 VanDerWaalsContact C-N 3.34Å; A62-E65 PolarHBondContact O-N 3.23Å; A62-K66 WeakPolarHBondContact O-CB 3.14Å; A62-K66 PolarHBondContact O-N 2.98Å
63E92.8Very high92.1Very high41 Ų4157.7 Ų57.719%0.19230%0.295CS..Hα-helixtrans-65.7-38.1174.1-74.8176.2146.600111I50 K54 L59 S60 E61 K66 L67I50-E63 HydrophobicContact CD1-CB 3.84Å; I50-E63 HydrophobicContact CD1-CG 4.15Å; I50-E63 HydrophobicContact CG1-CG 4.29Å; K54-E63 IonicContact NZ-OE1 3.69Å; K54-E63 PolarHBondContact NZ-OE1 2.97Å; K54-E63 IonicContact NZ-OE2 3.82Å; L59-E63 WeakPolarHBondContact CA-OE2 3.37Å; L59-E63 HydrophobicContact CD2-CB 3.61Å; L59-E63 HydrophobicContact CD2-CG 4.45Å; S60-E63 PolarHBondContact N-OE2 3.45Å; S60-E63 WeakPolarHBondContact O-CB 3.28Å; S60-E63 PolarHBondContact O-N 2.9Å; S60-E63 WeakPolarHBondContact OG-CG 3.2Å; S60-E63 PolarHBondContact OG-N 2.88Å; E61-E63 PolarHBondContact O-N 3.25Å; E63-K66 PolarHBondContact O-N 3.14Å; E63-L67 WeakPolarHBondContact O-CG 3.3Å; E63-L67 PolarHBondContact O-N 3Å
64V93Very high92.2Very high27 Ų2752.2 Ų52.216%0.16427%0.27CS..Hα-helixtrans-63.4-46.4175.8176.10000110.8L13 V15 L59 S60 E61 A62 K66 L67 V68L13-V64 HydrophobicContact CD2-CG2 3.57Å; V15-V64 HydrophobicContact CG2-CG1 3.93Å; L59-V64 HydrophobicContact CB-CG2 3.86Å; L59-V64 HydrophobicContact CD1-CG2 4.29Å; S60-V64 WeakPolarHBondContact O-CG2 3.2Å; S60-V64 PolarHBondContact O-N 3.04Å; E61-V64 WeakPolarHBondContact O-CB 3.33Å; E61-V64 PolarHBondContact O-N 3.15Å; A62-V64 VanDerWaalsContact C-N 3.34Å; V64-K66 VanDerWaalsContact C-N 3.33Å; V64-K66 PolarHBondContact O-N 3.45Å; V64-L67 WeakPolarHBondContact O-CB 3.35Å; V64-L67 PolarHBondContact O-N 2.92Å; V64-L67 VanDerWaalsContact O-N 3.14Å; V64-V68 WeakPolarHBondContact O-CG2 3.33Å; V64-V68 PolarHBondContact O-N 3.48Å
65E93.3Very high92.2Very high133 Ų13356.2 Ų56.262%0.62128%0.283SS*.Hα-helixtrans-65.2-38179-171.4154.9-154.800112.1E61 A62 L67 V68 T69E61-E65 PolarHBondContact O-N 2.97Å; A62-E65 PolarHBondContact O-N 3.23Å; E65-L67 VanDerWaalsContact C-N 3.34Å; E65-L67 PolarHBondContact O-N 2.96Å; E65-V68 PolarHBondContact O-N 3.29Å; E65-T69 WeakPolarHBondContact O-CG2 3.46Å; E65-T69 PolarHBondContact O-N 3.44Å; E65-T69 PolarHBondContact O-OG1 3.12Å
66K93.5Very high92.1Very high84 Ų8457.1 Ų57.137%0.36529%0.292SS..Hα-helixtrans-60.9-40.4171.1-164.6178.8-177-169.10112A48 D49 A62 E63 V64 T69 I70A48-K66 HydrophobicContact CB-CD 4.47Å; A48-K66 WeakPolarHBondContact O-CE 3.42Å; A48-K66 PolarHBondContact O-NZ 3.46Å; D49-K66 IonicContact OD2-NZ 3.81Å; A62-K66 WeakPolarHBondContact O-CB 3.14Å; A62-K66 PolarHBondContact O-N 2.98Å; E63-K66 PolarHBondContact O-N 3.14Å; V64-K66 VanDerWaalsContact C-N 3.33Å; V64-K66 PolarHBondContact O-N 3.45Å; K66-T69 WeakPolarHBondContact CA-OG1 3.46Å; K66-T69 PolarHBondContact O-OG1 3.06Å; K66-I70 HydrophobicContact CG-CD1 4.08Å; K66-I70 WeakPolarHBondContact O-CD1 3.49Å; K66-I70 WeakPolarHBondContact O-CG1 3.49Å; K66-I70 PolarHBondContact O-N 3.15Å; K66-I70 VanDerWaalsContact O-N 3.15Å
67L93.1Very high92.1Very high5 Ų560.2 Ų60.23%0.02631%0.305CS..Hα-helixtrans-63.8-44.1174.5-72.2171.1000111.4I26 V44 A48 I50 L59 E63 V64 E65 I70 M71I26-L67 HydrophobicContact CG2-CD1 4.22Å; V44-L67 HydrophobicContact CG1-CD2 3.6Å; A48-L67 HydrophobicContact CB-CD2 3.87Å; I50-L67 HydrophobicContact CD1-CD1 3.99Å; I50-L67 HydrophobicContact CD1-CD2 3.87Å; I50-L67 HydrophobicContact CD1-CG 3.72Å; L59-L67 HydrophobicContact CD1-CD1 4.01Å; L59-L67 HydrophobicContact CD2-CD1 4.04Å; E63-L67 WeakPolarHBondContact O-CG 3.3Å; E63-L67 PolarHBondContact O-N 3Å; V64-L67 WeakPolarHBondContact O-CB 3.35Å; V64-L67 PolarHBondContact O-N 2.92Å; V64-L67 VanDerWaalsContact O-N 3.14Å; E65-L67 VanDerWaalsContact C-N 3.34Å; E65-L67 PolarHBondContact O-N 2.96Å; L67-I70 PolarHBondContact O-N 3.19Å; L67-M71 WeakPolarHBondContact O-CB 3.42Å; L67-M71 WeakPolarHBondContact O-CG 3.39Å; L67-M71 PolarHBondContact O-N 3.42Å
68V93.4Very high92Very high32 Ų3268.3 Ų68.319%0.19434%0.34CS..Hα-helixtrans-63.8-44.4-179.7173.20000111.7V15 M16 V64 E65 M71 N72V15-V68 HydrophobicContact CG1-CG2 3.6Å; M16-V68 HydrophobicContact SD-CG1 4.12Å; V64-V68 WeakPolarHBondContact O-CG2 3.33Å; V64-V68 PolarHBondContact O-N 3.48Å; E65-V68 PolarHBondContact O-N 3.29Å; V68-M71 PolarHBondContact O-N 2.86Å; V68-N72 PolarHBondContact O-N 3.01Å; V68-N72 PolarHBondContact O-ND2 3.42Å
69T93.8Very high92Very high58 Ų5866.4 Ų66.436%0.35633%0.332SS..Hα-helixtrans-62.3-45.1177.647.50000112E65 K66 M71 N72 N73E65-T69 WeakPolarHBondContact O-CG2 3.46Å; E65-T69 PolarHBondContact O-N 3.44Å; E65-T69 PolarHBondContact O-OG1 3.12Å; K66-T69 WeakPolarHBondContact CA-OG1 3.46Å; K66-T69 PolarHBondContact O-OG1 3.06Å; T69-M71 VanDerWaalsContact C-N 3.28Å; T69-M71 PolarHBondContact O-N 3.21Å; T69-N72 PolarHBondContact O-N 3.23Å; T69-N73 PolarHBondContact O-N 2.96Å
70I93.9Very high92.2Very high0 Ų068.5 Ų68.50%035%0.346CS..Hα-helixtrans-62.6-38175.9-64.9166000111.6V44 K47 A48 K66 L67 N73 P74 F77 I79V44-I70 HydrophobicContact CB-CG2 4.37Å; V44-I70 HydrophobicContact CG1-CB 4.16Å; V44-I70 HydrophobicContact CG1-CG2 3.85Å; V44-I70 HydrophobicContact CG2-CG2 4.25Å; K47-I70 HydrophobicContact CB-CG2 4.35Å; A48-I70 HydrophobicContact CB-CD1 3.54Å; K66-I70 HydrophobicContact CG-CD1 4.08Å; K66-I70 WeakPolarHBondContact O-CD1 3.49Å; K66-I70 WeakPolarHBondContact O-CG1 3.49Å; K66-I70 PolarHBondContact O-N 3.15Å; K66-I70 VanDerWaalsContact O-N 3.15Å; L67-I70 PolarHBondContact O-N 3.19Å; I70-N73 CarbonylContact O-C 3.49Å; I70-P74 VanDerWaalsContact O-CA 3.28Å; I70-P74 WeakPolarHBondContact O-CA 3.32Å; I70-F77 HydrophobicContact CB-CD2 3.98Å; I70-F77 HydrophobicContact CB-CE2 4.23Å; I70-F77 HydrophobicContact CB-CG 4.25Å; I70-F77 HydrophobicContact CD1-CD1 4.29Å; I70-F77 HydrophobicContact CD1-CE1 4.41Å; I70-F77 HydrophobicContact CG1-CB 4.39Å; I70-F77 HydrophobicContact CG1-CD1 3.66Å; I70-F77 HydrophobicContact CG1-CD2 3.67Å; I70-F77 HydrophobicContact CG1-CE1 3.7Å; I70-F77 HydrophobicContact CG1-CE2 3.73Å; I70-F77 HydrophobicContact CG1-CG 3.64Å; I70-F77 HydrophobicContact CG1-CZ 3.73Å; I70-F77 HydrophobicContact CG2-CB 4.11Å; I70-F77 HydrophobicContact CG2-CD2 4.15Å; I70-F77 HydrophobicContact CG2-CG 4.14Å; I70-I79 HydrophobicContact CG2-CD1 4.44Å
71M93.1Very high92.2Very high1 Ų172.1 Ų72.11%0.00535%0.354CS..Hα-helixtrans-67.5-41.6179.2-77.8179.549.600112.5L30 I33 V36 F40 V44 L67 V68 T69 L99L30-M71 HydrophobicContact CD2-SD 4.28Å; I33-M71 HydrophobicContact CD1-CE 3.61Å; I33-M71 HydrophobicContact CD1-SD 4.33Å; I33-M71 HydrophobicContact CG2-CE 4.24Å; V36-M71 HydrophobicContact CG2-CE 3.35Å; V36-M71 HydrophobicContact CG2-SD 4.35Å; F40-M71 HydrophobicContact CE1-CG 4.22Å; V44-M71 HydrophobicContact CG1-CG 3.9Å; V44-M71 HydrophobicContact CG2-CG 4.05Å; L67-M71 WeakPolarHBondContact O-CB 3.42Å; L67-M71 WeakPolarHBondContact O-CG 3.39Å; L67-M71 PolarHBondContact O-N 3.42Å; V68-M71 PolarHBondContact O-N 2.86Å; T69-M71 VanDerWaalsContact C-N 3.28Å; T69-M71 PolarHBondContact O-N 3.21Å; M71-L99 HydrophobicContact CB-CD1 3.75Å; M71-L99 HydrophobicContact CE-CD1 3.82Å; M71-L99 HydrophobicContact CE-CD2 4.29Å; M71-L99 WeakPolarHBondContact O-CD1 3.42Å
72N92.4Very high92.4Very high75 Ų7571 Ų7140%0.40134%0.343SS..Hα-helixtrans-71.1-41177.9-73.8-30.4000111.9M16 V68 T69 P74M16-N72 WeakPolarHBondContact CE-OD1 3.26Å; V68-N72 PolarHBondContact O-N 3.01Å; V68-N72 PolarHBondContact O-ND2 3.42Å; T69-N72 PolarHBondContact O-N 3.23Å; N72-P74 WeakPolarHBondContact O-CD 3.13Å
73N91.7Very high92.4Very high77 Ų7769.3 Ų69.341%0.41232%0.322SS..  trans-117.259-175.7-63.8-21.2000113T69 I70 R75 E76 F77T69-N73 PolarHBondContact O-N 2.96Å; I70-N73 CarbonylContact O-C 3.49Å; N73-R75 PolarHBondContact O-N 3.34Å; N73-E76 HydrophobicContact CB-CB 4.5Å; N73-E76 HydrophobicContact CB-CG 4.33Å; N73-E76 WeakPolarHBondContact CB-OE2 3.44Å; N73-E76 PolarHBondContact ND2-OE2 2.91Å; N73-E76 PolarHBondContact O-N 3.38Å; N73-F77 VanDerWaalsContact O-CD2 3.3Å; N73-F77 WeakPolarHBondContact O-CD2 3.42Å
74P92.2Very high92.5Very high5 Ų567.6 Ų67.63%0.03231%0.314CS..THydrogen-bonded Turntrans-62-26.7-171.826.6-36.5000113.4F40 I70 N72 F77 I79 L84 Q97F40-P74 HydrophobicContact CZ-CB 4.36Å; I70-P74 VanDerWaalsContact O-CA 3.28Å; I70-P74 WeakPolarHBondContact O-CA 3.32Å; N72-P74 WeakPolarHBondContact O-CD 3.13Å; P74-F77 PolarHBondContact O-N 3.21Å; P74-I79 HydrophobicContact CB-CB 4.05Å; P74-I79 HydrophobicContact CB-CD1 3.76Å; P74-I79 HydrophobicContact CB-CG1 4.34Å; P74-I79 HydrophobicContact CB-CG2 4.4Å; P74-I79 WeakPolarHBondContact O-CB 3.43Å; P74-I79 PolarHBondContact O-N 3.39Å; P74-I79 VanDerWaalsContact O-N 3.09Å; P74-L84 HydrophobicContact CB-CD2 3.8Å; P74-L84 HydrophobicContact CG-CD2 3.41Å; P74-L84 VanDerWaalsContact CG-CD2 3.41Å; P74-Q97 HydrophobicContact CG-CB 3.81Å
75R90.4Very high92.5Very high152 Ų15269.6 Ų69.657%0.57432%0.324SS*.THydrogen-bonded Turntrans-68-37-178.6-69.4-177.164.6-169.7-3.1112.7N73 F77 K78 L84N73-R75 PolarHBondContact O-N 3.34Å; R75-F77 VanDerWaalsContact C-N 3.27Å; R75-F77 PolarHBondContact O-N 2.86Å; R75-K78 PolarHBondContact O-N 3.27Å; R75-L84 HydrophobicContact CG-CD1 3.92Å
76E90.7Very high92.5Very high140 Ų14065 Ų6565%0.65430%0.301SS*.THydrogen-bonded Turntrans-66.1-35.4179.7-66.7173.1-179.900110.5N73 K78N73-E76 HydrophobicContact CB-CB 4.5Å; N73-E76 HydrophobicContact CB-CG 4.33Å; N73-E76 WeakPolarHBondContact CB-OE2 3.44Å; N73-E76 PolarHBondContact ND2-OE2 2.91Å; N73-E76 PolarHBondContact O-N 3.38Å; E76-K78 PolarHBondContact O-N 2.96Å
77F90.8Very high92.5Very high68 Ų6865.6 Ų65.630%0.29831%0.305SS..THydrogen-bonded Turntrans-87.127.1179.3-60.8-84000114.3K47 I70 N73 P74 R75 I79K47-F77 WeakPolarHBondContact CD-O 3.39Å; I70-F77 HydrophobicContact CB-CD2 3.98Å; I70-F77 HydrophobicContact CB-CE2 4.23Å; I70-F77 HydrophobicContact CB-CG 4.25Å; I70-F77 HydrophobicContact CD1-CD1 4.29Å; I70-F77 HydrophobicContact CD1-CE1 4.41Å; I70-F77 HydrophobicContact CG1-CB 4.39Å; I70-F77 HydrophobicContact CG1-CD1 3.66Å; I70-F77 HydrophobicContact CG1-CD2 3.67Å; I70-F77 HydrophobicContact CG1-CE1 3.7Å; I70-F77 HydrophobicContact CG1-CE2 3.73Å; I70-F77 HydrophobicContact CG1-CG 3.64Å; I70-F77 HydrophobicContact CG1-CZ 3.73Å; I70-F77 HydrophobicContact CG2-CB 4.11Å; I70-F77 HydrophobicContact CG2-CD2 4.15Å; I70-F77 HydrophobicContact CG2-CG 4.14Å; N73-F77 VanDerWaalsContact O-CD2 3.3Å; N73-F77 WeakPolarHBondContact O-CD2 3.42Å; P74-F77 PolarHBondContact O-N 3.21Å; R75-F77 VanDerWaalsContact C-N 3.27Å; R75-F77 PolarHBondContact O-N 2.86Å; F77-I79 VanDerWaalsContact C-N 3.28Å; F77-I79 PolarHBondContact O-N 2.8Å
78K89.1Confident92.5Very high172 Ų17272.3 Ų72.375%0.74833%0.334SS*.THydrogen-bonded Turntrans60.230.9175.8-52.6177.4178.2177.80113.8R75 E76R75-K78 PolarHBondContact O-N 3.27Å; E76-K78 PolarHBondContact O-N 2.96Å
79I90.9Very high92.5Very high10 Ų1071.2 Ų71.25%0.05133%0.327CS..  trans-82.8127.4168.3-61.1179000108.8F40 V44 K47 I70 P74 F77 F83 L84F40-I79 HydrophobicContact CE2-CD1 4.32Å; V44-I79 HydrophobicContact CG2-CD1 4.47Å; K47-I79 HydrophobicContact CG-CG1 4.37Å; I70-I79 HydrophobicContact CG2-CD1 4.44Å; P74-I79 HydrophobicContact CB-CB 4.05Å; P74-I79 HydrophobicContact CB-CD1 3.76Å; P74-I79 HydrophobicContact CB-CG1 4.34Å; P74-I79 HydrophobicContact CB-CG2 4.4Å; P74-I79 WeakPolarHBondContact O-CB 3.43Å; P74-I79 PolarHBondContact O-N 3.39Å; P74-I79 VanDerWaalsContact O-N 3.09Å; F77-I79 VanDerWaalsContact C-N 3.28Å; F77-I79 PolarHBondContact O-N 2.8Å; I79-F83 HydrophobicContact CG2-CB 3.96Å; I79-F83 HydrophobicContact CG2-CD1 3.56Å; I79-F83 HydrophobicContact CG2-CE1 4.48Å; I79-F83 HydrophobicContact CG2-CG 4.15Å; I79-L84 HydrophobicContact CG2-CD2 4.36Å
80P92.9Very high92.4Very high57 Ų5773.7 Ų73.737%0.3734%0.337SS..  trans-64.3148-176.5-23.633.8000114.3W82 F83P80-W82 VanDerWaalsContact C-N 3.25Å; P80-W82 HydrophobicContact CB-CD2 4.09Å; P80-W82 VanDerWaalsContact CB-CE2 3.47Å; P80-W82 HydrophobicContact CB-CG 4.1Å; P80-W82 HydrophobicContact CB-CZ2 3.99Å; P80-W82 HydrophobicContact CG-CZ2 3.84Å; P80-W82 PolarHBondContact O-N 3.01Å; P80-F83 VanDerWaalsContact O-CB 3.27Å; P80-F83 WeakPolarHBondContact O-CB 3.23Å; P80-F83 PolarHBondContact O-N 3.44Å
81K92.2Very high92.2Very high133 Ų13380.2 Ų80.258%0.57837%0.366SS*.G310 helixtrans-55.7-35.4179.166.4-179.8179.8-177.70114.3F83 L84 Y95K81-F83 PolarHBondContact O-N 3.45Å; K81-L84 PolarHBondContact O-N 2.82Å; K81-Y95 HydrophobicContact CB-CD1 4.14Å; K81-Y95 HydrophobicContact CB-CE1 4.49Å; K81-Y95 HydrophobicContact CB-CG 4.47Å
82W93.6Very high92.1Very high148 Ų14885 Ų8556%0.56139%0.391SS*.G310 helixtrans-72-13.1-179.458.7-104.7000113.1P80 Q87P80-W82 VanDerWaalsContact C-N 3.25Å; P80-W82 HydrophobicContact CB-CD2 4.09Å; P80-W82 VanDerWaalsContact CB-CE2 3.47Å; P80-W82 HydrophobicContact CB-CG 4.1Å; P80-W82 HydrophobicContact CB-CZ2 3.99Å; P80-W82 HydrophobicContact CG-CZ2 3.84Å; P80-W82 PolarHBondContact O-N 3.01Å; W82-Q87 VanDerWaalsContact C-NE2 3.34Å; W82-Q87 PolarHBondContact O-NE2 3.36Å
83F94Very high92Very high38 Ų3883.2 Ų83.217%0.16739%0.39CS..G310 helixtrans-88.2-14-179.6-162.6-111.7000113.1R39 F40 A43 I79 P80 K81R39-F83 HydrophobicContact CB-CZ 4.31Å; R39-F83 HydrophobicContact CG-CE2 3.95Å; R39-F83 HydrophobicContact CG-CZ 3.84Å; F40-F83 HydrophobicContact CB-CE1 4.22Å; F40-F83 AromaticContact CD2-CD1 3.79Å; F40-F83 HydrophobicContact CD2-CD1 3.79Å; F40-F83 AromaticContact CD2-CE1 3.45Å; F40-F83 HydrophobicContact CD2-CE1 3.45Å; F40-F83 VanDerWaalsContact CD2-CE1 3.45Å; F40-F83 HydrophobicContact CE2-CD1 4.22Å; F40-F83 HydrophobicContact CE2-CE1 4.24Å; F40-F83 HydrophobicContact CG-CE1 4.25Å; A43-F83 HydrophobicContact CB-CE1 3.85Å; A43-F83 HydrophobicContact CB-CZ 4.17Å; I79-F83 HydrophobicContact CG2-CB 3.96Å; I79-F83 HydrophobicContact CG2-CD1 3.56Å; I79-F83 HydrophobicContact CG2-CE1 4.48Å; I79-F83 HydrophobicContact CG2-CG 4.15Å; P80-F83 VanDerWaalsContact O-CB 3.27Å; P80-F83 WeakPolarHBondContact O-CB 3.23Å; P80-F83 PolarHBondContact O-N 3.44Å; K81-F83 PolarHBondContact O-N 3.45Å
84L94.2Very high92Very high4 Ų482.8 Ų82.82%0.02139%0.391CS..SBendtrans-78.1149.3-176.2-55.7177000111.2P74 R75 I79 K81 Q87 Q97P74-L84 HydrophobicContact CB-CD2 3.8Å; P74-L84 HydrophobicContact CG-CD2 3.41Å; P74-L84 VanDerWaalsContact CG-CD2 3.41Å; R75-L84 HydrophobicContact CG-CD1 3.92Å; I79-L84 HydrophobicContact CG2-CD2 4.36Å; K81-L84 PolarHBondContact O-N 2.82Å; L84-Q87 WeakPolarHBondContact O-CG 3.44Å; L84-Q87 PolarHBondContact O-NE2 2.95Å; L84-Q97 HydrophobicContact CD2-CB 4.15Å
85N94Very high92.1Very high69 Ų6986 Ų8637%0.36940%0.402SS..SBendtrans-78-29.4-176.5682.7000113.8S96 Q97 V98N85-S96 PolarHBondContact OD1-O 2.96Å; N85-Q97 WeakPolarHBondContact OD1-CA 3.44Å; N85-V98 PolarHBondContact ND2-O 2.82Å; N85-V98 PolarHBondContact OD1-N 2.92Å
86R93.6Very high92.2Very high36 Ų3680.5 Ų80.514%0.13639%0.387CS..BIsolated β-bridgetrans-117.893.7176.4-163.9166-174.6992109.4D89 S96 V98 D110R86-D89 HydrophobicContact CG-CB 4.48Å; R86-D89 IonicContact CZ-OD1 3.29Å; R86-D89 VanDerWaalsContact CZ-OD1 3.26Å; R86-D89 IonicContact CZ-OD2 3.26Å; R86-D89 IonicContact NE-OD1 2.65Å; R86-D89 PolarHBondContact NE-OD1 3.21Å; R86-D89 IonicContact NE-OD2 3.02Å; R86-D89 PolarHBondContact NE-OD2 3.37Å; R86-D89 IonicContact NH2-OD1 2.72Å; R86-D89 PolarHBondContact NH2-OD1 3.45Å; R86-D89 IonicContact NH2-OD2 2.73Å; R86-S96 PolarHBondContact N-O 3.22Å; R86-S96 PolarHBondContact O-N 2.74Å; R86-V98 HydrophobicContact CB-CG2 3.78Å; R86-V98 HydrophobicContact CG-CG2 4.34Å; R86-D110 IonicContact CZ-OD1 3.58Å; R86-D110 IonicContact CZ-OD2 3.76Å; R86-D110 IonicContact NH1-OD1 2.8Å; R86-D110 IonicContact NH1-OD2 3.82Å; R86-D110 PolarHBondContact NH1-OD2 3.06Å; R86-D110 IonicContact NH2-OD1 2.96Å; R86-D110 PolarHBondContact NH2-OD1 2.64Å; R86-D110 IonicContact NH2-OD2 3.42Å; R86-D110 PolarHBondContact NH2-OD2 3.3Å
87Q93Very high92.3Very high98 Ų9874.7 Ų74.746%0.45836%0.36SS..  trans-96128.5-178.9-59.7179.427.900109.6W82 L84 Y95W82-Q87 VanDerWaalsContact C-NE2 3.34Å; W82-Q87 PolarHBondContact O-NE2 3.36Å; L84-Q87 WeakPolarHBondContact O-CG 3.44Å; L84-Q87 PolarHBondContact O-NE2 2.95Å; Q87-Y95 HydrophobicContact CB-CD1 3.81Å; Q87-Y95 HydrophobicContact CB-CE1 3.91Å; Q87-Y95 HydrophobicContact CG-CD1 4.19Å
88K92.8Very high92.5Very high146 Ų14672 Ų7264%0.63535%0.35SS*.SBendtrans49.470.8178.9-166.9-179.1-179.2-179.50111.6T94 Y95K88-T94 WeakPolarHBondContact CA-O 3.18Å; K88-T94 PolarHBondContact N-O 3.03Å; K88-Y95 HydrophobicContact CB-CE1 4.2Å
89D93.5Very high92.7Very high8 Ų864.2 Ų64.24%0.04332%0.316CS..  trans-55.7145179.2-161.21.2000111.1R86 K91 G93 T94 K106R86-D89 HydrophobicContact CG-CB 4.48Å; R86-D89 IonicContact CZ-OD1 3.29Å; R86-D89 VanDerWaalsContact CZ-OD1 3.26Å; R86-D89 IonicContact CZ-OD2 3.26Å; R86-D89 IonicContact NE-OD1 2.65Å; R86-D89 PolarHBondContact NE-OD1 3.21Å; R86-D89 IonicContact NE-OD2 3.02Å; R86-D89 PolarHBondContact NE-OD2 3.37Å; R86-D89 IonicContact NH2-OD1 2.72Å; R86-D89 PolarHBondContact NH2-OD1 3.45Å; R86-D89 IonicContact NH2-OD2 2.73Å; D89-K91 VanDerWaalsContact C-N 3.27Å; D89-K91 PolarHBondContact O-N 3.11Å; D89-G93 WeakPolarHBondContact O-CA 3.44Å; D89-G93 PolarHBondContact O-N 3.36Å; D89-T94 PolarHBondContact N-O 3.32Å; D89-K106 IonicContact OD2-NZ 3.45Å; D89-K106 PolarHBondContact OD2-NZ 2.83Å
90I90.5Very high92.8Very high111 Ų11164.3 Ų64.357%0.56932%0.317SS*.THydrogen-bonded Turntrans-68.9-30.4-174-60.8166.7000111.2
91K90.3Very high92.9Very high137 Ų13765.5 Ų65.560%0.59632%0.324SS*.THydrogen-bonded Turntrans-80.4-56.5179.1-67.5-179.2175.5177.20111.6D89 E109D89-K91 VanDerWaalsContact C-N 3.27Å; D89-K91 PolarHBondContact O-N 3.11Å; K91-E109 IonicContact NZ-OE2 2.75Å; K91-E109 PolarHBondContact NZ-OE2 2.96Å
92D91.6Very high93Very high101 Ų10161.4 Ų61.454%0.5432%0.315SS..THydrogen-bonded Turntrans-104.3-12.1-166.3-45.9-45000112.9T94D92-T94 HydrophobicContact CB-CG2 4.04Å; D92-T94 PolarHBondContact O-N 3.27Å
93G90.8Very high93Very high37 Ų3757 Ų5738%0.38130%0.302SS..  trans69.3-1.8-173.900000114.7D89D89-G93 WeakPolarHBondContact O-CA 3.44Å; D89-G93 PolarHBondContact O-N 3.36Å
94T91.6Very high93Very high69 Ų6958.4 Ų58.442%0.42331%0.311SS..  trans-76.4158.5-175.360.90000112.3K88 D89 D92K88-T94 WeakPolarHBondContact CA-O 3.18Å; K88-T94 PolarHBondContact N-O 3.03Å; D89-T94 PolarHBondContact N-O 3.32Å; D92-T94 HydrophobicContact CB-CG2 4.04Å; D92-T94 PolarHBondContact O-N 3.27Å
95Y93Very high93.1Very high71 Ų7161.2 Ų61.228%0.27833%0.331SS..  trans-107.1120.3173-63.4-100.4000108.2K81 Q87 K88K81-Y95 HydrophobicContact CB-CD1 4.14Å; K81-Y95 HydrophobicContact CB-CE1 4.49Å; K81-Y95 HydrophobicContact CB-CG 4.47Å; Q87-Y95 HydrophobicContact CB-CD1 3.81Å; Q87-Y95 HydrophobicContact CB-CE1 3.91Å; Q87-Y95 HydrophobicContact CG-CD1 4.19Å; K88-Y95 HydrophobicContact CB-CE1 4.2Å
96S92.6Very high93.1Very high37 Ų3759.8 Ų59.826%0.25932%0.322SS..BIsolated β-bridgetrans-140153-176.254.60000111.6N85 R86N85-S96 PolarHBondContact OD1-O 2.96Å; R86-S96 PolarHBondContact N-O 3.22Å; R86-S96 PolarHBondContact O-N 2.74Å
97Q94.2Very high93.2Very high19 Ų1962.8 Ų62.89%0.08934%0.34CS..  trans-93.4108.9162.3-170.974.6-0.300107.7G35 F40 P74 L84 N85 L99G35-Q97 PolarHBondContact O-NE2 2.66Å; F40-Q97 HydrophobicContact CE1-CG 4.12Å; F40-Q97 HydrophobicContact CE2-CG 4.02Å; F40-Q97 HydrophobicContact CZ-CB 4.29Å; F40-Q97 HydrophobicContact CZ-CG 3.66Å; P74-Q97 HydrophobicContact CG-CB 3.81Å; L84-Q97 HydrophobicContact CD2-CB 4.15Å; N85-Q97 WeakPolarHBondContact OD1-CA 3.44Å; Q97-L99 HydrophobicContact CG-CD2 3.68Å; Q97-L99 HydrophobicContact CG-CG 4.19Å
98V93.7Very high93.3Very high12 Ų1266.8 Ų66.87%0.07335%0.351CS..  trans-86.1128.3176.6-167.50000109.1N85 R86 A102 L103 K106N85-V98 PolarHBondContact ND2-O 2.82Å; N85-V98 PolarHBondContact OD1-N 2.92Å; R86-V98 HydrophobicContact CB-CG2 3.78Å; R86-V98 HydrophobicContact CG-CG2 4.34Å; V98-A102 HydrophobicContact CG1-CB 3.64Å; V98-A102 WeakPolarHBondContact CG1-O 3.41Å; V98-L103 HydrophobicContact CB-CD1 4.11Å; V98-L103 VanDerWaalsContact CG1-CA 3.48Å; V98-L103 HydrophobicContact CG1-CB 4.08Å; V98-L103 HydrophobicContact CG1-CD1 4.39Å; V98-L103 VanDerWaalsContact CG1-N 3.3Å; V98-K106 HydrophobicContact CG1-CG 4.17Å
99L94.3Very high93.5Very high7 Ų763.6 Ų63.64%0.03734%0.338CS..  trans-121.6160.8-172.3-59.5174.5000111.6M16 K34 V36 M71 Q97 T101 A102 L103M16-L99 HydrophobicContact CE-CB 3.91Å; M16-L99 HydrophobicContact CE-CD1 3.92Å; K34-L99 CarbonylContact O-C 3.56Å; K34-L99 WeakPolarHBondContact O-CA 3.46Å; V36-L99 HydrophobicContact CG2-CD2 3.76Å; M71-L99 HydrophobicContact CB-CD1 3.75Å; M71-L99 HydrophobicContact CE-CD1 3.82Å; M71-L99 HydrophobicContact CE-CD2 4.29Å; M71-L99 WeakPolarHBondContact O-CD1 3.42Å; Q97-L99 HydrophobicContact CG-CD2 3.68Å; Q97-L99 HydrophobicContact CG-CG 4.19Å; L99-T101 PolarHBondContact O-N 3.35Å; L99-A102 WeakPolarHBondContact O-CB 3.24Å; L99-A102 PolarHBondContact O-N 2.83Å; L99-A102 VanDerWaalsContact O-N 3.11Å; L99-L103 PolarHBondContact O-N 2.89Å
100S92.7Very high93.6Very high12 Ų1265.1 Ų65.18%0.08435%0.346CS..Hα-helixtrans46.3-123.7171.870.70000113.8M16 K34 L103M16-S100 VanDerWaalsContact O-CB 3.24Å; M16-S100 WeakPolarHBondContact O-CB 3.15Å; K34-S100 PolarHBondContact O-N 3.38Å; S100-L103 PolarHBondContact O-N 2.96Å
101T94Very high93.9Very high83 Ų8361.8 Ų61.851%0.50933%0.329SS..Hα-helixtrans-69.3-32.4-178.443.60000112.7L99 L103 D104 S105L99-T101 PolarHBondContact O-N 3.35Å; T101-L103 PolarHBondContact O-N 2.8Å; T101-D104 PolarHBondContact O-N 2.73Å; T101-D104 VanDerWaalsContact O-N 3.16Å; T101-S105 PolarHBondContact O-N 3.05Å; T101-S105 VanDerWaalsContact O-N 3.09Å; T101-S105 PolarHBondContact O-OG 3.35Å
102A94Very high94.2Very high47 Ų4758.7 Ų58.739%0.38832%0.317SS..Hα-helixtrans-61.9-29.9179.200000111.6V98 L99 S105 K106V98-A102 HydrophobicContact CG1-CB 3.64Å; V98-A102 WeakPolarHBondContact CG1-O 3.41Å; L99-A102 WeakPolarHBondContact O-CB 3.24Å; L99-A102 PolarHBondContact O-N 2.83Å; L99-A102 VanDerWaalsContact O-N 3.11Å; A102-S105 PolarHBondContact O-N 3.37Å; A102-K106 WeakPolarHBondContact O-CB 3.41Å; A102-K106 WeakPolarHBondContact O-CG 3.49Å; A102-K106 PolarHBondContact O-N 3.02Å
103L94.4Very high94.4Very high54 Ų5458.3 Ų58.328%0.28331%0.308SS..Hα-helixtrans-66.8-42.9178-175.965.9000111.4K34 V98 L99 S100 T101 L107K34-L103 HydrophobicContact CB-CD2 4.25Å; V98-L103 HydrophobicContact CB-CD1 4.11Å; V98-L103 VanDerWaalsContact CG1-CA 3.48Å; V98-L103 HydrophobicContact CG1-CB 4.08Å; V98-L103 HydrophobicContact CG1-CD1 4.39Å; V98-L103 VanDerWaalsContact CG1-N 3.3Å; L99-L103 PolarHBondContact O-N 2.89Å; S100-L103 PolarHBondContact O-N 2.96Å; T101-L103 PolarHBondContact O-N 2.8Å; L103-L107 WeakPolarHBondContact O-CB 3.4Å; L103-L107 PolarHBondContact O-N 2.95Å
104D94.3Very high94.7Very high68 Ų6858 Ų5836%0.36430%0.297SS..Hα-helixtrans-66.5-41.9177.3-64.1-44.4000110.9K34 T101 L107 R108K34-D104 IonicContact NZ-OD1 2.7Å; K34-D104 PolarHBondContact NZ-OD1 3.29Å; K34-D104 IonicContact NZ-OD2 2.87Å; K34-D104 PolarHBondContact NZ-OD2 2.72Å; T101-D104 PolarHBondContact O-N 2.73Å; T101-D104 VanDerWaalsContact O-N 3.16Å; D104-L107 PolarHBondContact O-N 3.45Å; D104-R108 PolarHBondContact O-N 3.02Å
105S95.7Very high94.8Very high63 Ų6357.5 Ų57.544%0.44129%0.29SS..Hα-helixtrans-60.1-48.1176-62.30000111.8T101 A102 L107 R108 E109T101-S105 PolarHBondContact O-N 3.05Å; T101-S105 VanDerWaalsContact O-N 3.09Å; T101-S105 PolarHBondContact O-OG 3.35Å; A102-S105 PolarHBondContact O-N 3.37Å; S105-L107 PolarHBondContact O-N 3.09Å; S105-R108 WeakPolarHBondContact O-CB 3.31Å; S105-R108 PolarHBondContact O-N 3.44Å; S105-E109 WeakPolarHBondContact O-CG 3.45Å; S105-E109 PolarHBondContact O-N 2.65Å
106K94.7Very high95Very high39 Ų3962.5 Ų62.517%0.1731%0.313CS..Hα-helixtrans-62.2-41.4177.8-78-68.6-171.1168.50112.1D89 V98 A102 R108 E109 D110D89-K106 IonicContact OD2-NZ 3.45Å; D89-K106 PolarHBondContact OD2-NZ 2.83Å; V98-K106 HydrophobicContact CG1-CG 4.17Å; A102-K106 WeakPolarHBondContact O-CB 3.41Å; A102-K106 WeakPolarHBondContact O-CG 3.49Å; A102-K106 PolarHBondContact O-N 3.02Å; K106-R108 VanDerWaalsContact C-N 3.33Å; K106-R108 PolarHBondContact O-N 3.36Å; K106-E109 PolarHBondContact O-N 3.46Å; K106-D110 VanDerWaalsContact O-CG 3.25Å; K106-D110 PolarHBondContact O-N 3Å
107L95Very high95.2Very high99 Ų9966 Ų6652%0.51833%0.327SS..Hα-helixtrans-60.7-43.1174.417762.9000111.6L103 D104 S105 D110 L111L103-L107 WeakPolarHBondContact O-CB 3.4Å; L103-L107 PolarHBondContact O-N 2.95Å; D104-L107 PolarHBondContact O-N 3.45Å; S105-L107 PolarHBondContact O-N 3.09Å; L107-D110 PolarHBondContact O-N 3.4Å; L107-L111 HydrophobicContact CD1-CD1 4.38Å; L107-L111 HydrophobicContact CD1-CG 4.38Å; L107-L111 HydrophobicContact CG-CD1 4.26Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 3.15Å
108R96.5Very high95.2Very high182 Ų18274.6 Ų74.669%0.68736%0.359SS*.Hα-helixtrans-62.2-46.1177.6-174.7177.9179.9175.3-1.5111.5D104 S105 K106 D110 L111 E112D104-R108 PolarHBondContact O-N 3.02Å; S105-R108 WeakPolarHBondContact O-CB 3.31Å; S105-R108 PolarHBondContact O-N 3.44Å; K106-R108 VanDerWaalsContact C-N 3.33Å; K106-R108 PolarHBondContact O-N 3.36Å; R108-D110 VanDerWaalsContact C-N 3.33Å; R108-D110 PolarHBondContact O-N 3.16Å; R108-L111 PolarHBondContact O-N 3.32Å; R108-E112 HydrophobicContact CG-CG 4.47Å; R108-E112 WeakPolarHBondContact O-CG 3.24Å; R108-E112 PolarHBondContact O-N 3.42Å
109E96.2Very high95.3Very high79 Ų7975.6 Ų75.637%0.36937%0.369SS..Hα-helixtrans-59-43.5176.6-72.5176.3-155.400112.2K91 S105 K106 L111 E112 R113K91-E109 IonicContact NZ-OE2 2.75Å; K91-E109 PolarHBondContact NZ-OE2 2.96Å; S105-E109 WeakPolarHBondContact O-CG 3.45Å; S105-E109 PolarHBondContact O-N 2.65Å; K106-E109 PolarHBondContact O-N 3.46Å; E109-L111 VanDerWaalsContact C-N 3.33Å; E109-L111 PolarHBondContact O-N 2.8Å; E109-E112 PolarHBondContact O-N 3.46Å; E109-R113 WeakPolarHBondContact O-CB 3.37Å; E109-R113 PolarHBondContact O-N 2.87Å
110D96Very high95.4Very high40 Ų4081.4 Ų81.421%0.21440%0.395CS..Hα-helixtrans-62.5-41.6178-69.6-31.3000111.6R86 K106 L107 R108 L114R86-D110 IonicContact CZ-OD1 3.58Å; R86-D110 IonicContact CZ-OD2 3.76Å; R86-D110 IonicContact NH1-OD1 2.8Å; R86-D110 IonicContact NH1-OD2 3.82Å; R86-D110 PolarHBondContact NH1-OD2 3.06Å; R86-D110 IonicContact NH2-OD1 2.96Å; R86-D110 PolarHBondContact NH2-OD1 2.64Å; R86-D110 IonicContact NH2-OD2 3.42Å; R86-D110 PolarHBondContact NH2-OD2 3.3Å; K106-D110 VanDerWaalsContact O-CG 3.25Å; K106-D110 PolarHBondContact O-N 3Å; L107-D110 PolarHBondContact O-N 3.4Å; R108-D110 VanDerWaalsContact C-N 3.33Å; R108-D110 PolarHBondContact O-N 3.16Å; D110-L114 WeakPolarHBondContact O-CG 3.45Å; D110-L114 PolarHBondContact O-N 2.7Å; D110-L114 VanDerWaalsContact O-N 3.12Å
111L95.8Very high95.6Very high41 Ų4187.8 Ų87.822%0.21542%0.418CS..Hα-helixtrans-67.1-44.5177.1-69.7175.6000112L107 R108 E109 R113 L114 K115 H125L107-L111 HydrophobicContact CD1-CD1 4.38Å; L107-L111 HydrophobicContact CD1-CG 4.38Å; L107-L111 HydrophobicContact CG-CD1 4.26Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 3.15Å; R108-L111 PolarHBondContact O-N 3.32Å; E109-L111 VanDerWaalsContact C-N 3.33Å; E109-L111 PolarHBondContact O-N 2.8Å; L111-R113 VanDerWaalsContact C-N 3.33Å; L111-R113 PolarHBondContact O-N 3.44Å; L111-L114 PolarHBondContact O-N 3.47Å; L111-K115 WeakPolarHBondContact O-CG 3.37Å; L111-K115 PolarHBondContact O-N 3.12Å; L111-H125 HydrophobicContact CD2-CB 4.13Å; L111-H125 VanDerWaalsContact CD2-CD2 3.42Å; L111-H125 WeakPolarHBondContact CD2-CD2 3.38Å
112E96.7Very high95.7Very high72 Ų7283.9 Ų83.934%0.33639%0.393SS..Hα-helixtrans-63.9-38.9177.4-71.9-51.2131.700111.9R108 E109 L114 K115 K116R108-E112 HydrophobicContact CG-CG 4.47Å; R108-E112 WeakPolarHBondContact O-CG 3.24Å; R108-E112 PolarHBondContact O-N 3.42Å; E109-E112 PolarHBondContact O-N 3.46Å; E112-L114 PolarHBondContact O-N 3.24Å; E112-K115 PolarHBondContact O-N 3.39Å; E112-K115 IonicContact OE1-NZ 2.89Å; E112-K115 PolarHBondContact OE1-NZ 3.46Å; E112-K116 WeakPolarHBondContact O-CG 3.42Å; E112-K116 PolarHBondContact O-N 3.25Å
113R96.3Very high95.6Very high94 Ų9484.2 Ų84.236%0.35539%0.388SS..Hα-helixtrans-59-47.3172.7-176.1-174.265.184.72.6111.5E109 L111 K115 K116 I117E109-R113 WeakPolarHBondContact O-CB 3.37Å; E109-R113 PolarHBondContact O-N 2.87Å; L111-R113 VanDerWaalsContact C-N 3.33Å; L111-R113 PolarHBondContact O-N 3.44Å; R113-K115 VanDerWaalsContact C-N 3.31Å; R113-K115 PolarHBondContact O-N 2.9Å; R113-K116 PolarHBondContact O-N 3.44Å; R113-I117 HydrophobicContact CG-CD1 3.9Å; R113-I117 WeakPolarHBondContact O-CG1 3.47Å; R113-I117 PolarHBondContact O-N 2.91Å; R113-I117 VanDerWaalsContact O-N 3.11Å
114L96.2Very high95.6Very high29 Ų2983.4 Ų83.415%0.15238%0.382CS..Hα-helixtrans-63-36.7178.5-71.9174.2000112.5D110 L111 E112 R118 A119D110-L114 WeakPolarHBondContact O-CG 3.45Å; D110-L114 PolarHBondContact O-N 2.7Å; D110-L114 VanDerWaalsContact O-N 3.12Å; L111-L114 PolarHBondContact O-N 3.47Å; E112-L114 PolarHBondContact O-N 3.24Å; L114-R118 PolarHBondContact O-N 3.18Å; L114-A119 HydrophobicContact CD2-CB 4.2Å; L114-A119 PolarHBondContact O-N 2.97Å
115K95.4Very high95.5Very high60 Ų6083.6 Ų83.626%0.26138%0.38SS..Hα-helixtrans-66.3-46.4175.2-70.7170.5-174.8176.20111.7L111 E112 R113 I117 R118 Y126L111-K115 WeakPolarHBondContact O-CG 3.37Å; L111-K115 PolarHBondContact O-N 3.12Å; E112-K115 PolarHBondContact O-N 3.39Å; E112-K115 IonicContact OE1-NZ 2.89Å; E112-K115 PolarHBondContact OE1-NZ 3.46Å; R113-K115 VanDerWaalsContact C-N 3.31Å; R113-K115 PolarHBondContact O-N 2.9Å; K115-I117 PolarHBondContact O-N 2.96Å; K115-R118 WeakPolarHBondContact O-CA 3.43Å; K115-R118 PolarHBondContact O-N 3.33Å; K115-Y126 HydrophobicContact CD-CD2 4.47Å
116K96.8Very high95.3Very high176 Ų17688.4 Ų88.477%0.76539%0.39SS*.Hα-helixtrans-60.3-42.3179.5-75.9-178178.7-173.70112.7E112 R113 R118E112-K116 WeakPolarHBondContact O-CG 3.42Å; E112-K116 PolarHBondContact O-N 3.25Å; R113-K116 PolarHBondContact O-N 3.44Å; K116-R118 PolarHBondContact O-N 3.38Å
117I96Very high95.1Very high111 Ų11193.7 Ų93.757%0.56941%0.409SS*.THydrogen-bonded Turntrans-72.3-10.7177.3-61.5167.1000111.8R113 K115 A119R113-I117 HydrophobicContact CG-CD1 3.9Å; R113-I117 WeakPolarHBondContact O-CG1 3.47Å; R113-I117 PolarHBondContact O-N 2.91Å; R113-I117 VanDerWaalsContact O-N 3.11Å; K115-I117 PolarHBondContact O-N 2.96Å; I117-A119 PolarHBondContact O-N 3.1Å
118R94.5Very high94.7Very high198 Ų19891.8 Ų91.875%0.74741%0.413SS*.THydrogen-bonded Turntrans56.631.9-172.8-58.3-176.2174.3-172.7-0.9113.5L114 K115 K116 L123L114-R118 PolarHBondContact O-N 3.18Å; K115-R118 WeakPolarHBondContact O-CA 3.43Å; K115-R118 PolarHBondContact O-N 3.33Å; K116-R118 PolarHBondContact O-N 3.38Å; R118-L123 HydrophobicContact CB-CD2 4.49Å
119A95.5Very high94.4Very high34 Ų3485.4 Ų85.428%0.28139%0.392SS..  trans-62.5143.7172.200000110L114 I117 R121 G122 L123L114-A119 HydrophobicContact CD2-CB 4.2Å; L114-A119 PolarHBondContact O-N 2.97Å; I117-A119 PolarHBondContact O-N 3.1Å; A119-R121 PolarHBondContact O-N 2.93Å; A119-R121 VanDerWaalsContact O-N 3.1Å; A119-G122 WeakPolarHBondContact O-CA 3.36Å; A119-G122 PolarHBondContact O-N 2.99Å; A119-L123 PolarHBondContact O-N 3.13Å
120H96.2Very high94.1Very high129 Ų12988 Ų8860%0.59740%0.399SS*.Hα-helixtrans-50.1-43-178.6176.7-108.2000112.8G122 L123 R124H120-G122 PolarHBondContact O-N 3.46Å; H120-L123 PolarHBondContact O-N 3.41Å; H120-R124 WeakPolarHBondContact O-CG 3.48Å; H120-R124 PolarHBondContact O-N 2.82Å
121R96.7Very high93.9Very high146 Ų14687.3 Ų87.355%0.55140%0.396SS*.Hα-helixtrans-62.2-40.8175.6-67.6179.858.6-171-4.2112.8A119 R124 H125 V131A119-R121 PolarHBondContact O-N 2.93Å; A119-R121 VanDerWaalsContact O-N 3.1Å; R121-R124 PolarHBondContact O-N 3.26Å; R121-H125 PolarHBondContact O-CD2 3.3Å; R121-H125 PolarHBondContact O-N 2.99Å; R121-V131 HydrophobicContact CB-CG1 3.59Å; R121-V131 HydrophobicContact CG-CG1 3.58Å
122G95.8Very high93.9Very high0 Ų095.9 Ų95.90%043%0.425CS..Hα-helixtrans-64.4-43.517700000112.4A119 H120 H125 Y126A119-G122 WeakPolarHBondContact O-CA 3.36Å; A119-G122 PolarHBondContact O-N 2.99Å; H120-G122 PolarHBondContact O-N 3.46Å; G122-H125 WeakPolarHBondContact O-CB 3.4Å; G122-H125 PolarHBondContact O-N 3.45Å; G122-Y126 PolarHBondContact O-N 2.97Å
123L93.9Very high93.6Very high54 Ų5495.4 Ų95.428%0.28344%0.44SS..Hα-helixtrans-63-43.7175-64.9175.1000111.8R118 A119 H120 H125 Y126 W127R118-L123 HydrophobicContact CB-CD2 4.49Å; A119-L123 PolarHBondContact O-N 3.13Å; H120-L123 PolarHBondContact O-N 3.41Å; L123-H125 VanDerWaalsContact C-N 3.32Å; L123-H125 PolarHBondContact O-N 3.31Å; L123-Y126 WeakPolarHBondContact O-CB 3.34Å; L123-Y126 PolarHBondContact O-N 3.38Å; L123-Y126 VanDerWaalsContact O-N 3.13Å; L123-W127 HydrophobicContact CB-CE3 4.35Å; L123-W127 HydrophobicContact CB-CH2 4.02Å; L123-W127 HydrophobicContact CB-CZ2 4.35Å; L123-W127 HydrophobicContact CB-CZ3 4.01Å; L123-W127 HydrophobicContact CD1-CH2 4.41Å; L123-W127 PolarHBondContact O-N 2.86Å
124R93.6Very high93.4Very high37 Ų3795.1 Ų95.114%0.1444%0.442CS..Hα-helixtrans-62.9-38.3174.7-66.3-154.7101.3-17715.8112.5H120 R121 Y126 W127 G128 L129 R130 V131H120-R124 WeakPolarHBondContact O-CG 3.48Å; H120-R124 PolarHBondContact O-N 2.82Å; R121-R124 PolarHBondContact O-N 3.26Å; R124-Y126 VanDerWaalsContact C-N 3.34Å; R124-W127 PolarHBondContact O-N 3.05Å; R124-G128 PolarHBondContact O-N 3.38Å; R124-L129 HydrophobicContact CB-CB 4.17Å; R124-L129 HydrophobicContact CG-CB 4.47Å; R124-L129 PolarHBondContact O-N 2.98Å; R124-R130 VanDerWaalsContact CD-O 3.24Å; R124-R130 WeakPolarHBondContact CD-O 3.5Å; R124-R130 PolarHBondContact NE-O 3Å; R124-R130 PolarHBondContact NH1-O 2.79Å; R124-V131 HydrophobicContact CB-CG2 4Å
125H92.7Very high93.1Very high73 Ų73101 Ų10134%0.33847%0.468SS..Hα-helixtrans-63.1-39.1172.4-83.2-63.2000112.4L111 R121 G122 L123 G128L111-H125 HydrophobicContact CD2-CB 4.13Å; L111-H125 VanDerWaalsContact CD2-CD2 3.42Å; L111-H125 WeakPolarHBondContact CD2-CD2 3.38Å; R121-H125 PolarHBondContact O-CD2 3.3Å; R121-H125 PolarHBondContact O-N 2.99Å; G122-H125 WeakPolarHBondContact O-CB 3.4Å; G122-H125 PolarHBondContact O-N 3.45Å; L123-H125 VanDerWaalsContact C-N 3.32Å; L123-H125 PolarHBondContact O-N 3.31Å; H125-G128 PolarHBondContact O-N 2.86Å
126Y91.6Very high92.7Very high164 Ų164101.2 Ų101.264%0.64348%0.475SS*.Hα-helixtrans-63-42.2175.2179.1-104.9000112.2K115 G122 L123 R124 G128K115-Y126 HydrophobicContact CD-CD2 4.47Å; G122-Y126 PolarHBondContact O-N 2.97Å; L123-Y126 WeakPolarHBondContact O-CB 3.34Å; L123-Y126 PolarHBondContact O-N 3.38Å; L123-Y126 VanDerWaalsContact O-N 3.13Å; R124-Y126 VanDerWaalsContact C-N 3.34Å; Y126-G128 VanDerWaalsContact C-N 3.29Å; Y126-G128 PolarHBondContact O-N 3.23Å
127W88.9Confident92.1Very high150 Ų150101.1 Ų101.157%0.56848%0.475SS*.THydrogen-bonded Turntrans-80.4-1.9177.1-58-39.1000114.8L123 R124 L129L123-W127 HydrophobicContact CB-CE3 4.35Å; L123-W127 HydrophobicContact CB-CH2 4.02Å; L123-W127 HydrophobicContact CB-CZ2 4.35Å; L123-W127 HydrophobicContact CB-CZ3 4.01Å; L123-W127 HydrophobicContact CD1-CH2 4.41Å; L123-W127 PolarHBondContact O-N 2.86Å; R124-W127 PolarHBondContact O-N 3.05Å; W127-L129 VanDerWaalsContact C-N 3.27Å; W127-L129 HydrophobicContact CB-CD1 4.18Å; W127-L129 HydrophobicContact CB-CG 3.96Å; W127-L129 HydrophobicContact CE3-CD1 4.05Å; W127-L129 PolarHBondContact O-N 3.27Å
128G88.3Confident91.7Very high58 Ų58100.9 Ų100.960%0.59848%0.479SS*.THydrogen-bonded Turntrans67.923.1-176.400000114.4R124 H125 Y126R124-G128 PolarHBondContact O-N 3.38Å; H125-G128 PolarHBondContact O-N 2.86Å; Y126-G128 VanDerWaalsContact C-N 3.29Å; Y126-G128 PolarHBondContact O-N 3.23Å
129L88.6Confident91.3Very high48 Ų4894.8 Ų94.825%0.25146%0.463SS..  trans-88.6161.9178.5-60.7179.7000111.8R124 W127 V131 V146R124-L129 HydrophobicContact CB-CB 4.17Å; R124-L129 HydrophobicContact CG-CB 4.47Å; R124-L129 PolarHBondContact O-N 2.98Å; W127-L129 VanDerWaalsContact C-N 3.27Å; W127-L129 HydrophobicContact CB-CD1 4.18Å; W127-L129 HydrophobicContact CB-CG 3.96Å; W127-L129 HydrophobicContact CE3-CD1 4.05Å; W127-L129 PolarHBondContact O-N 3.27Å; L129-V131 WeakPolarHBondContact O-CG2 3.39Å; L129-V146 HydrophobicContact CD2-CB 4.32Å; L129-V146 HydrophobicContact CD2-CG1 4.06Å
130R90.6Very high90.6Very high134 Ų13494.7 Ų94.751%0.50647%0.466SS..  trans-63.6134.5175.6-60.8-61.5-174.8-178.6-0.7110.9R124 Q134 T136R124-R130 VanDerWaalsContact CD-O 3.24Å; R124-R130 WeakPolarHBondContact CD-O 3.5Å; R124-R130 PolarHBondContact NE-O 3Å; R124-R130 PolarHBondContact NH1-O 2.79Å; R130-Q134 HydrophobicContact CB-CB 4.28Å; R130-T136 HydrophobicContact CB-CG2 4.27Å; R130-T136 HydrophobicContact CG-CG2 4.13Å
131V92.8Very high89.8Confident25 Ų2597.9 Ų97.915%0.15247%0.473CS..SBendtrans-100.1-21.1-169.9-179.50000114.2R121 R124 L129 G133R121-V131 HydrophobicContact CB-CG1 3.59Å; R121-V131 HydrophobicContact CG-CG1 3.58Å; R124-V131 HydrophobicContact CB-CG2 4Å; L129-V131 WeakPolarHBondContact O-CG2 3.39Å; V131-G133 VanDerWaalsContact C-N 3.35Å; V131-G133 PolarHBondContact O-N 3.37Å
132R95.2Very high89.1Confident222 Ų222101.4 Ų101.484%0.83849%0.492SS*.SBendtrans-96.429.5-174.1-52.8-177.3177.9-176.5-2.2113.4Q134R132-Q134 VanDerWaalsContact C-N 3.29Å; R132-Q134 VanDerWaalsContact N-OE1 3.16Å; R132-Q134 PolarHBondContact O-N 3.44Å
133G91.2Very high87.9Confident62 Ų62104 Ų10464%0.63952%0.519SS*.  trans73.511.817700000115.8V131V131-G133 VanDerWaalsContact C-N 3.35Å; V131-G133 PolarHBondContact O-N 3.37Å
134Q91.7Very high86.3Confident87 Ų87113 Ų11341%0.40755%0.549SS..  trans-62.6145175.8-61.497.7-2000112R130 R132 T136R130-Q134 HydrophobicContact CB-CB 4.28Å; R132-Q134 VanDerWaalsContact C-N 3.29Å; R132-Q134 VanDerWaalsContact N-OE1 3.16Å; R132-Q134 PolarHBondContact O-N 3.44Å; Q134-T136 PolarHBondContact O-N 3.11Å
135H89.9Confident84.7Confident152 Ų152117.8 Ų117.870%0.70458%0.582SS**  trans-65.3122.2176.8-64.6-86.1000111.8T139H135-T139 PolarHBondContact O-OG1 3.34Å
136T86.4Confident83Confident66 Ų66117.7 Ų117.741%0.40559%0.587SS.*THydrogen-bonded Turntrans-97.64.1179.352.20000113.7R130 Q134R130-T136 HydrophobicContact CB-CG2 4.27Å; R130-T136 HydrophobicContact CG-CG2 4.13Å; Q134-T136 PolarHBondContact O-N 3.11Å
137K85.1Confident81.1Confident173 Ų173113.3 Ų113.375%0.75259%0.592SS**THydrogen-bonded Turntrans-68.3-49176.8-175.2177.4179.9179.90111.4R141K137-R141 PolarHBondContact O-NE 2.91Å; K137-R141 PolarHBondContact O-NH2 3.42Å
138T87Confident79.6Confident106 Ų106111.9 Ų111.965%0.6560%0.599SS**THydrogen-bonded Turntrans-107.2-31.3-175.751.80000113.1
139T86Confident78Confident70 Ų70114.5 Ų114.543%0.42961%0.608SS.*SBendtrans-96.8157.3-173.681.60000113.1H135H135-T139 PolarHBondContact O-OG1 3.34Å
140G80.6Confident76.2Confident33 Ų33120.9 Ų120.934%0.3463%0.634SS.*  trans86.814.2175.300000115.7
141R78.6Confident74.4Confident195 Ų195123.8 Ų123.874%0.73665%0.65SS**THydrogen-bonded Turntrans-83.9-3.8-176.3-61.7-166.5178.5-159.20.9116K137 G143K137-R141 PolarHBondContact O-NE 2.91Å; K137-R141 PolarHBondContact O-NH2 3.42Å; R141-G143 VanDerWaalsContact C-N 3.27Å; R141-G143 PolarHBondContact O-N 2.99Å
142K82.2Confident72.3Confident220 Ų220135.5 Ų135.596%0.95770%0.699SS**THydrogen-bonded Turntrans-76.1-13.1179.2-164.5173.5178.9178.30113.3
143G71.3Confident71.2Confident54 Ų54131.2 Ų131.256%0.55769%0.692SS**SBendtrans-92.6-174.7179.200000113.3R141 T145R141-G143 VanDerWaalsContact C-N 3.27Å; R141-G143 PolarHBondContact O-N 2.99Å; G143-T145 PolarHBondContact O-N 3.28Å
144R61.3Low70.1Confident244 Ų244134.8 Ų134.892%0.92170%0.695SS**SBendtrans-49.8139.6165.5-92.8-178.4166.9-178.1-4.3109.4V146R144-V146 PolarHBondContact O-N 3.48Å
145T58.6Low68.9Low137 Ų137137.5 Ų137.584%0.8471%0.711SS**  trans-45107.7175.4-52.50000108.8G143 G147G143-T145 PolarHBondContact O-N 3.28Å; T145-G147 PolarHBondContact O-N 3.42Å
146V57.2Low67.7Low71 Ų71136.6 Ų136.643%0.4371%0.712SS.*  trans-60.1112.2176.5-95.80000105.9L129 R144 V148L129-V146 HydrophobicContact CD2-CB 4.32Å; L129-V146 HydrophobicContact CD2-CG1 4.06Å; R144-V146 PolarHBondContact O-N 3.48Å; V146-V148 PolarHBondContact O-N 2.75Å
147G52.4Low66.5Low72 Ų72141.1 Ų141.174%0.74273%0.731SS**  trans-52101.3-175.500000109.2T145 S149T145-G147 PolarHBondContact O-N 3.42Å; G147-S149 PolarHBondContact O-N 2.78Å
148V57.5Low65.3Low120 Ų120138.9 Ų138.973%0.72773%0.729SS**  trans-64.8109.4167.1-179.30000103.6V146 K150V146-V148 PolarHBondContact O-N 2.75Å; V148-K150 PolarHBondContact O-N 3.02Å
149S54.9Low63.7Low113 Ų113141.3 Ų141.379%0.7974%0.735SS**  trans-58.693159.51660000105.5G147 K151G147-S149 PolarHBondContact O-N 2.78Å; S149-K151 PolarHBondContact O-N 3.21Å
150K49.8Very low62Low183 Ų183146.8 Ų146.880%0.79676%0.759SS**  trans-66.6112.9161.2-91.9-173.5173.1-177.50104.6V148 K152V148-K150 PolarHBondContact O-N 3.02Å; K150-K152 PolarHBondContact O-N 3.21Å
151K53.2Low60.4Low195 Ų195156.3 Ų156.385%0.84879%0.794SS**  trans-59.8118.8159.6-156.7179.2-177.7-174.30105.1S149S149-K151 PolarHBondContact O-N 3.21Å
152K48.3Very low58.8Low271 Ų271152.7 Ų152.7100%1.17880%0.799SS**  trans-59.70166.7-93.1-172.1173.5-175.70108.8K150K150-K152 PolarHBondContact O-N 3.21Å

Retrieved 152 of 152 residues in 291.4 ms (Link to these results)

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