A0A5K4F363_SCHMA Loading...

Methyltranfer_dom domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F363, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 648 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
1M52.7Low82.2Confident155 Ų15566.5 Ų66.576%0.76436%0.36SS*.  01460-76.4-167.216200108.4Y101M1-Y101 HydrophobicContact CB-CE1 4.06Å; M1-Y101 WeakPolarHBondContact CB-OH 2.95Å; M1-Y101 HydrophobicContact SD-CE2 4.04Å; M1-Y101 PolarHBondContact SD-OH 3.18Å
2S59.8Low83.5Confident69 Ų6968.7 Ų68.748%0.48337%0.371SS..  trans-73.6153-17762.50000111.2N4 S5 L6S2-N4 PolarHBondContact O-N 3.33Å; S2-S5 PolarHBondContact N-OG 2.83Å; S2-S5 PolarHBondContact O-N 3.46Å; S2-S5 PolarHBondContact O-OG 3.33Å; S2-S5 PolarHBondContact OG-N 3.38Å; S2-S5 PolarHBondContact OG-OG 3.41Å; S2-L6 PolarHBondContact O-N 2.95Å
3S63.8Low84.6Confident54 Ų5463.5 Ų63.538%0.37834%0.343SS..Hα-helixtrans-52.4-39.1175.5178.10000112.6S5 L6 N7S3-S5 PolarHBondContact O-N 3.36Å; S3-L6 PolarHBondContact O-N 2.91Å; S3-N7 PolarHBondContact O-N 2.98Å; S3-N7 PolarHBondContact O-ND2 3.42Å
4N75.5Confident85.6Confident111 Ų11159.1 Ų59.159%0.59432%0.319SS*.Hα-helixtrans-60.3-43.2177.4-68.40.4000112.2S2 L6 N7 E8S2-N4 PolarHBondContact O-N 3.33Å; N4-L6 VanDerWaalsContact C-N 3.31Å; N4-L6 PolarHBondContact O-N 3.24Å; N4-N7 PolarHBondContact O-N 3.4Å; N4-E8 WeakPolarHBondContact O-CG 3.37Å; N4-E8 PolarHBondContact O-N 3.37Å
5S87Confident86.4Confident35 Ų3560.5 Ų60.525%0.24532%0.324CS..Hα-helixtrans-65.3-31.8179.464.60000113.6S2 S3 L9 Y101S2-S5 PolarHBondContact N-OG 2.83Å; S2-S5 PolarHBondContact O-N 3.46Å; S2-S5 PolarHBondContact O-OG 3.33Å; S2-S5 PolarHBondContact OG-N 3.38Å; S2-S5 PolarHBondContact OG-OG 3.41Å; S3-S5 PolarHBondContact O-N 3.36Å; S5-L9 VanDerWaalsContact O-CB 3.3Å; S5-L9 WeakPolarHBondContact O-CB 3.42Å; S5-L9 PolarHBondContact O-N 3.26Å; S5-L9 VanDerWaalsContact O-N 3.17Å; S5-Y101 PolarHBondContact OG-OH 3.43Å
6L91.1Very high87.2Confident13 Ų1357.1 Ų57.17%0.06831%0.306CS..Hα-helixtrans-72.3-43.8174176.562.5000111.2S2 S3 N4 E8 L9 I10 Y101 F594 W598S2-L6 PolarHBondContact O-N 2.95Å; S3-L6 PolarHBondContact O-N 2.91Å; N4-L6 VanDerWaalsContact C-N 3.31Å; N4-L6 PolarHBondContact O-N 3.24Å; L6-E8 PolarHBondContact O-N 3.19Å; L6-L9 PolarHBondContact O-N 3.14Å; L6-I10 HydrophobicContact CD1-CD1 4.11Å; L6-I10 HydrophobicContact CD1-CG1 3.64Å; L6-I10 HydrophobicContact CG-CG1 4.14Å; L6-I10 WeakPolarHBondContact O-CB 3.29Å; L6-I10 VanDerWaalsContact O-CG1 3.26Å; L6-I10 WeakPolarHBondContact O-CG1 3.38Å; L6-I10 PolarHBondContact O-N 3.25Å; L6-Y101 HydrophobicContact CB-CE1 3.81Å; L6-Y101 HydrophobicContact CD1-CD1 3.78Å; L6-Y101 HydrophobicContact CD1-CD2 3.89Å; L6-Y101 HydrophobicContact CD1-CE1 3.76Å; L6-Y101 HydrophobicContact CD1-CE2 3.9Å; L6-Y101 HydrophobicContact CD1-CG 3.82Å; L6-Y101 HydrophobicContact CD2-CD1 4.25Å; L6-Y101 HydrophobicContact CD2-CE1 4.25Å; L6-Y101 HydrophobicContact CG-CD1 4.41Å; L6-Y101 HydrophobicContact CG-CE1 4.14Å; L6-F594 HydrophobicContact CD1-CE2 4.04Å; L6-F594 HydrophobicContact CD1-CZ 4.21Å; L6-F594 HydrophobicContact CD2-CZ 4.43Å; L6-W598 HydrophobicContact CD2-CH2 3.92Å; L6-W598 HydrophobicContact CD2-CZ2 3.25Å
7N92.2Very high87.8Confident62 Ų6254 Ų5433%0.33229%0.289SS..Hα-helixtrans-62-43.9-179.5-68.3-25.6000111.9S3 N4 H11 Y424S3-N7 PolarHBondContact O-N 2.98Å; S3-N7 PolarHBondContact O-ND2 3.42Å; N4-N7 PolarHBondContact O-N 3.4Å; N7-H11 WeakPolarHBondContact O-CB 3.08Å; N7-H11 PolarHBondContact O-N 3.28Å; N7-Y424 VanDerWaalsContact OD1-CE2 3.25Å; N7-Y424 WeakPolarHBondContact OD1-CE2 3.47Å; N7-Y424 PolarHBondContact OD1-OH 3.44Å
8E93.8Very high88.4Confident127 Ų12752.5 Ų52.559%0.59328%0.281SS*.Hα-helixtrans-60.7-49.6174-72170.2-171.800111N4 L6 I10 H11 D12N4-E8 WeakPolarHBondContact O-CG 3.37Å; N4-E8 PolarHBondContact O-N 3.37Å; L6-E8 PolarHBondContact O-N 3.19Å; E8-I10 PolarHBondContact O-N 2.86Å; E8-H11 PolarHBondContact O-N 3.46Å; E8-D12 PolarHBondContact O-N 2.83Å
9L95.8Very high88.8Confident19 Ų1955.5 Ų55.510%0.09929%0.293CS..Hα-helixtrans-56.3-48.5177.7172.564000112.7S5 L6 H11 L13 F94 L97 Y101S5-L9 VanDerWaalsContact O-CB 3.3Å; S5-L9 WeakPolarHBondContact O-CB 3.42Å; S5-L9 PolarHBondContact O-N 3.26Å; S5-L9 VanDerWaalsContact O-N 3.17Å; L6-L9 PolarHBondContact O-N 3.14Å; L9-H11 VanDerWaalsContact C-N 3.35Å; L9-L13 WeakPolarHBondContact O-CB 2.88Å; L9-L13 PolarHBondContact O-N 2.71Å; L9-F94 HydrophobicContact CD1-CD1 3.86Å; L9-F94 HydrophobicContact CD1-CE1 4.24Å; L9-L97 HydrophobicContact CD1-CB 3.82Å; L9-L97 HydrophobicContact CD1-CD1 3.79Å; L9-L97 HydrophobicContact CD1-CG 4.47Å; L9-L97 HydrophobicContact CD2-CB 3.81Å; L9-L97 HydrophobicContact CG-CB 4.5Å; L9-Y101 HydrophobicContact CD2-CD2 3.96Å; L9-Y101 HydrophobicContact CD2-CE2 3.52Å
10I96.6Very high89.2Confident2 Ų254.3 Ų54.31%0.0128%0.284CS..Hα-helixtrans-68-38.8-177.7-64.7-72.3000110.1L6 E8 L14 L98 Y424 L425 T428 F594L6-I10 HydrophobicContact CD1-CD1 4.11Å; L6-I10 HydrophobicContact CD1-CG1 3.64Å; L6-I10 HydrophobicContact CG-CG1 4.14Å; L6-I10 WeakPolarHBondContact O-CB 3.29Å; L6-I10 VanDerWaalsContact O-CG1 3.26Å; L6-I10 WeakPolarHBondContact O-CG1 3.38Å; L6-I10 PolarHBondContact O-N 3.25Å; E8-I10 PolarHBondContact O-N 2.86Å; I10-L14 HydrophobicContact CG2-CD1 3.71Å; I10-L14 HydrophobicContact CG2-CG 4.17Å; I10-L14 WeakPolarHBondContact O-CB 3.41Å; I10-L14 WeakPolarHBondContact O-CG 3.41Å; I10-L14 PolarHBondContact O-N 3.32Å; I10-L98 HydrophobicContact CD1-CD1 3.57Å; I10-Y424 HydrophobicContact CG1-CE1 4.09Å; I10-Y424 HydrophobicContact CG2-CE1 4.33Å; I10-L425 HydrophobicContact CG2-CD1 4.29Å; I10-T428 HydrophobicContact CG2-CG2 3.73Å; I10-F594 HydrophobicContact CD1-CD1 4.44Å; I10-F594 HydrophobicContact CD1-CE1 3.91Å; I10-F594 HydrophobicContact CD1-CE2 4.21Å; I10-F594 HydrophobicContact CD1-CZ 3.79Å; I10-F594 HydrophobicContact CG1-CZ 4.31Å
11H96.1Very high89.5Confident85 Ų8553.8 Ų53.839%0.39428%0.282SS..Hα-helixtrans-60.6-52.7175.5-177.866.1000111.5N7 E8 L9 L13 L14 M15 C432N7-H11 WeakPolarHBondContact O-CB 3.08Å; N7-H11 PolarHBondContact O-N 3.28Å; E8-H11 PolarHBondContact O-N 3.46Å; L9-H11 VanDerWaalsContact C-N 3.35Å; H11-L13 VanDerWaalsContact C-N 3.33Å; H11-L13 PolarHBondContact O-N 2.56Å; H11-L14 PolarHBondContact O-N 3.49Å; H11-M15 WeakPolarHBondContact O-CG 3.3Å; H11-M15 PolarHBondContact O-N 2.92Å; H11-C432 PolarHBondContact ND1-SG 3.08Å; H11-C432 VanDerWaalsContact ND1-SG 3.42Å
12D97.7Very high91.4Very high92 Ų9248 Ų4849%0.49225%0.252SS..Hα-helixtrans-61.5-41.6-179.8-70.3-13.9000112E8 M15 F16 F94E8-D12 PolarHBondContact O-N 2.83Å; D12-M15 PolarHBondContact O-N 3.04Å; D12-F16 WeakPolarHBondContact O-CB 3.21Å; D12-F16 PolarHBondContact O-N 3.44Å; D12-F94 HydrophobicContact CB-CE1 4.07Å; D12-F94 HydrophobicContact CB-CZ 4.18Å
13L98.2Very high93.1Very high1 Ų144.9 Ų44.91%0.00523%0.229CC..Hα-helixtrans-59.5-49174167.957.4000111.4L9 H11 M15 F16 I17 F94 L98 L587 I591L9-L13 WeakPolarHBondContact O-CB 2.88Å; L9-L13 PolarHBondContact O-N 2.71Å; H11-L13 VanDerWaalsContact C-N 3.33Å; H11-L13 PolarHBondContact O-N 2.56Å; L13-M15 VanDerWaalsContact C-N 3.34Å; L13-M15 PolarHBondContact O-N 2.94Å; L13-F16 WeakPolarHBondContact O-CB 3.07Å; L13-F16 PolarHBondContact O-N 2.86Å; L13-I17 HydrophobicContact CD1-CD1 4.29Å; L13-I17 HydrophobicContact CD1-CG1 3.77Å; L13-I17 HydrophobicContact CG-CG1 4.36Å; L13-I17 VanDerWaalsContact O-CG1 3.27Å; L13-I17 WeakPolarHBondContact O-CG1 3.22Å; L13-I17 PolarHBondContact O-N 3.02Å; L13-F94 HydrophobicContact CB-CD1 3.92Å; L13-F94 HydrophobicContact CB-CE1 4.08Å; L13-F94 HydrophobicContact CB-CG 4.36Å; L13-F94 HydrophobicContact CD1-CB 3.88Å; L13-F94 HydrophobicContact CD1-CD1 4.3Å; L13-F94 HydrophobicContact CD1-CD2 4.15Å; L13-F94 HydrophobicContact CD1-CG 3.88Å; L13-L98 HydrophobicContact CD2-CD2 3.81Å; L13-L587 HydrophobicContact CD1-CD1 3.68Å; L13-L587 HydrophobicContact CD1-CD2 3.88Å; L13-L587 HydrophobicContact CD1-CG 4.09Å; L13-L587 HydrophobicContact CD2-CD1 4.49Å; L13-I591 HydrophobicContact CD1-CD1 4.37Å; L13-I591 HydrophobicContact CD2-CD1 4.25Å; L13-I591 HydrophobicContact CD2-CG1 4.08Å; L13-I591 HydrophobicContact CG-CD1 4.47Å
14L98.3Very high94.6Very high2 Ų242.3 Ų42.31%0.0121%0.212CC..Hα-helixtrans-67.4-37.2-177.3-70174000111.5I10 H11 F16 I17 L18 L425 T428 M429 C432 F436I10-L14 HydrophobicContact CG2-CD1 3.71Å; I10-L14 HydrophobicContact CG2-CG 4.17Å; I10-L14 WeakPolarHBondContact O-CB 3.41Å; I10-L14 WeakPolarHBondContact O-CG 3.41Å; I10-L14 PolarHBondContact O-N 3.32Å; H11-L14 PolarHBondContact O-N 3.49Å; L14-F16 VanDerWaalsContact C-N 3.32Å; L14-F16 PolarHBondContact O-N 3.34Å; L14-I17 PolarHBondContact O-N 3.18Å; L14-L18 WeakPolarHBondContact O-CB 3.41Å; L14-L18 PolarHBondContact O-N 2.87Å; L14-L425 HydrophobicContact CD1-CD1 4.27Å; L14-L425 HydrophobicContact CD2-CD1 4.34Å; L14-T428 HydrophobicContact CD1-CG2 3.81Å; L14-M429 HydrophobicContact CD1-CG 3.94Å; L14-M429 HydrophobicContact CD2-CE 3.93Å; L14-M429 HydrophobicContact CD2-CG 3.89Å; L14-C432 HydrophobicContact CB-CB 4.43Å; L14-F436 HydrophobicContact CB-CE2 3.93Å; L14-F436 HydrophobicContact CB-CZ 4.13Å; L14-F436 HydrophobicContact CD2-CE1 4.06Å; L14-F436 HydrophobicContact CD2-CE2 4.21Å; L14-F436 HydrophobicContact CD2-CZ 3.58Å; L14-F436 HydrophobicContact CG-CZ 4.41Å; L14-F436 WeakPolarHBondContact O-CE2 3.37Å
15M98.1Very high95.4Very high81 Ų8138.7 Ų38.740%0.39919%0.192SC..Hα-helixtrans-60.6-42.2172-69.7-57.3-65.700111.7H11 D12 L13 L18 E19 C432H11-M15 WeakPolarHBondContact O-CG 3.3Å; H11-M15 PolarHBondContact O-N 2.92Å; D12-M15 PolarHBondContact O-N 3.04Å; L13-M15 VanDerWaalsContact C-N 3.34Å; L13-M15 PolarHBondContact O-N 2.94Å; M15-L18 PolarHBondContact O-N 3.35Å; M15-E19 WeakPolarHBondContact O-CB 3.42Å; M15-E19 PolarHBondContact O-N 3.37Å; M15-C432 HydrophobicContact SD-CB 4Å
16F98.3Very high95.6Very high6 Ų637.5 Ų37.53%0.02618%0.183CC..Hα-helixtrans-63-45.4174.2178.1-99.1000112.7D12 L13 L14 L18 E19 Y20 L87 K90 C91 F94 F584 L587D12-F16 WeakPolarHBondContact O-CB 3.21Å; D12-F16 PolarHBondContact O-N 3.44Å; L13-F16 WeakPolarHBondContact O-CB 3.07Å; L13-F16 PolarHBondContact O-N 2.86Å; L14-F16 VanDerWaalsContact C-N 3.32Å; L14-F16 PolarHBondContact O-N 3.34Å; F16-L18 VanDerWaalsContact C-N 3.29Å; F16-L18 PolarHBondContact O-N 2.95Å; F16-E19 PolarHBondContact O-N 3.45Å; F16-Y20 AromaticContact CD2-CD2 3.64Å; F16-Y20 HydrophobicContact CD2-CD2 3.64Å; F16-Y20 AromaticContact CD2-CE2 3.61Å; F16-Y20 HydrophobicContact CD2-CE2 3.61Å; F16-Y20 HydrophobicContact CE1-CD2 4.46Å; F16-Y20 AromaticContact CE2-CD2 3.49Å; F16-Y20 HydrophobicContact CE2-CD2 3.49Å; F16-Y20 VanDerWaalsContact CE2-CD2 3.49Å; F16-Y20 AromaticContact CE2-CE2 3.44Å; F16-Y20 HydrophobicContact CE2-CE2 3.44Å; F16-Y20 VanDerWaalsContact CE2-CE2 3.44Å; F16-Y20 HydrophobicContact CG-CD2 4.21Å; F16-Y20 AromaticContact CZ-CD2 3.94Å; F16-Y20 HydrophobicContact CZ-CD2 3.94Å; F16-Y20 HydrophobicContact CZ-CE2 4.28Å; F16-Y20 WeakPolarHBondContact O-CD2 3.36Å; F16-Y20 PolarHBondContact O-N 2.87Å; F16-Y20 VanDerWaalsContact O-N 3.14Å; F16-L87 HydrophobicContact CE2-CD1 3.77Å; F16-L87 HydrophobicContact CZ-CD1 3.55Å; F16-L87 HydrophobicContact CZ-CG 4.35Å; F16-K90 HydrophobicContact CD2-CB 4.32Å; F16-K90 HydrophobicContact CD2-CD 3.92Å; F16-K90 HydrophobicContact CE2-CB 3.73Å; F16-K90 HydrophobicContact CE2-CD 3.87Å; F16-K90 HydrophobicContact CE2-CG 4.46Å; F16-K90 HydrophobicContact CZ-CB 3.95Å; F16-C91 VanDerWaalsContact CZ-SG 3.6Å; F16-F94 HydrophobicContact CB-CD2 4.38Å; F16-F94 HydrophobicContact CB-CE2 3.63Å; F16-F94 HydrophobicContact CB-CZ 4.21Å; F16-F94 AromaticContact CD1-CD2 3.85Å; F16-F94 HydrophobicContact CD1-CD2 3.85Å; F16-F94 AromaticContact CD1-CE2 3.85Å; F16-F94 HydrophobicContact CD1-CE2 3.85Å; F16-F94 HydrophobicContact CD2-CE2 4.03Å; F16-F94 HydrophobicContact CE1-CD2 4.28Å; F16-F94 HydrophobicContact CG-CD2 4.07Å; F16-F94 AromaticContact CG-CE2 3.57Å; F16-F94 HydrophobicContact CG-CE2 3.57Å; F16-F584 HydrophobicContact CD1-CE1 4.42Å; F16-F584 AromaticContact CE1-CE1 3.81Å; F16-F584 HydrophobicContact CE1-CE1 3.81Å; F16-F584 AromaticContact CE1-CZ 3.8Å; F16-F584 HydrophobicContact CE1-CZ 3.8Å; F16-F584 HydrophobicContact CZ-CZ 4.08Å; F16-L587 HydrophobicContact CD1-CD2 4.26Å; F16-L587 HydrophobicContact CE1-CD2 4.09Å
17I98.1Very high95.6Very high4 Ų441.8 Ų41.82%0.02120%0.202CC..Hα-helixtrans-59.9-42.3175.6-69.8-68.9000110.4L13 L14 N21 Y24 F436 C440 F584 L587 L588 I591L13-I17 HydrophobicContact CD1-CD1 4.29Å; L13-I17 HydrophobicContact CD1-CG1 3.77Å; L13-I17 HydrophobicContact CG-CG1 4.36Å; L13-I17 VanDerWaalsContact O-CG1 3.27Å; L13-I17 WeakPolarHBondContact O-CG1 3.22Å; L13-I17 PolarHBondContact O-N 3.02Å; L14-I17 PolarHBondContact O-N 3.18Å; I17-N21 PolarHBondContact O-N 3.07Å; I17-Y24 HydrophobicContact CD1-CE1 4.48Å; I17-Y24 HydrophobicContact CG2-CE1 4.32Å; I17-Y24 WeakPolarHBondContact CG2-OH 3.31Å; I17-Y24 WeakPolarHBondContact O-CE1 3.31Å; I17-Y24 PolarHBondContact O-OH 3.17Å; I17-F436 HydrophobicContact CB-CZ 4.3Å; I17-F436 HydrophobicContact CG2-CE1 4.42Å; I17-F436 HydrophobicContact CG2-CZ 3.8Å; I17-C440 HydrophobicContact CG2-CB 4.36Å; I17-F584 HydrophobicContact CD1-CD1 4.22Å; I17-F584 HydrophobicContact CD1-CE1 4.16Å; I17-L587 HydrophobicContact CD1-CD2 3.8Å; I17-L587 HydrophobicContact CD1-CG 4.18Å; I17-L588 HydrophobicContact CD1-CD2 3.98Å; I17-I591 HydrophobicContact CD1-CD1 3.88Å; I17-I591 HydrophobicContact CG1-CD1 3.93Å
18L97.3Very high95.5Very high27 Ų2740.7 Ų40.714%0.14119%0.193CC..Hα-helixtrans-64.2-43.7177.8-178.264.7000112.1L14 M15 F16 N21 N433 F436 K439 C440L14-L18 WeakPolarHBondContact O-CB 3.41Å; L14-L18 PolarHBondContact O-N 2.87Å; M15-L18 PolarHBondContact O-N 3.35Å; F16-L18 VanDerWaalsContact C-N 3.29Å; F16-L18 PolarHBondContact O-N 2.95Å; L18-N21 PolarHBondContact O-ND2 2.86Å; L18-N433 HydrophobicContact CD1-CB 4.44Å; L18-N433 HydrophobicContact CD2-CB 3.89Å; L18-F436 HydrophobicContact CB-CD2 4.39Å; L18-F436 HydrophobicContact CB-CE2 3.91Å; L18-F436 HydrophobicContact CD1-CD2 4.29Å; L18-K439 HydrophobicContact CD1-CB 4.45Å; L18-K439 HydrophobicContact CD1-CD 4.21Å; L18-C440 VanDerWaalsContact CD1-SG 3.56Å
19E96.2Very high95.2Very high110 Ų11036.9 Ų36.951%0.51418%0.177SC..Hα-helixtrans-60.9-45.7179.5-174.2-175.9160.800111.9M15 F16M15-E19 WeakPolarHBondContact O-CB 3.42Å; M15-E19 PolarHBondContact O-N 3.37Å; F16-E19 PolarHBondContact O-N 3.45Å
20Y96.6Very high94.5Very high31 Ų3137.2 Ų37.212%0.12219%0.185CC..THydrogen-bonded Turntrans-99.319.8-172.8-65.9-71.5000114.5F16 W22 I23 Y24 W55 L87 F584F16-Y20 AromaticContact CD2-CD2 3.64Å; F16-Y20 HydrophobicContact CD2-CD2 3.64Å; F16-Y20 AromaticContact CD2-CE2 3.61Å; F16-Y20 HydrophobicContact CD2-CE2 3.61Å; F16-Y20 HydrophobicContact CE1-CD2 4.46Å; F16-Y20 AromaticContact CE2-CD2 3.49Å; F16-Y20 HydrophobicContact CE2-CD2 3.49Å; F16-Y20 VanDerWaalsContact CE2-CD2 3.49Å; F16-Y20 AromaticContact CE2-CE2 3.44Å; F16-Y20 HydrophobicContact CE2-CE2 3.44Å; F16-Y20 VanDerWaalsContact CE2-CE2 3.44Å; F16-Y20 HydrophobicContact CG-CD2 4.21Å; F16-Y20 AromaticContact CZ-CD2 3.94Å; F16-Y20 HydrophobicContact CZ-CD2 3.94Å; F16-Y20 HydrophobicContact CZ-CE2 4.28Å; F16-Y20 WeakPolarHBondContact O-CD2 3.36Å; F16-Y20 PolarHBondContact O-N 2.87Å; F16-Y20 VanDerWaalsContact O-N 3.14Å; Y20-W22 HydrophobicContact CD1-CZ2 4.45Å; Y20-W22 PolarHBondContact O-N 2.86Å; Y20-W22 VanDerWaalsContact O-N 3.08Å; Y20-I23 HydrophobicContact CD1-CD1 3.87Å; Y20-I23 HydrophobicContact CG-CD1 4.32Å; Y20-I23 WeakPolarHBondContact O-CB 3.26Å; Y20-I23 PolarHBondContact O-N 3.43Å; Y20-Y24 WeakPolarHBondContact O-CE1 3.42Å; Y20-W55 HydrophobicContact CD1-CH2 4.31Å; Y20-W55 AromaticContact CE1-CH2 3.67Å; Y20-W55 HydrophobicContact CE1-CH2 3.67Å; Y20-W55 HydrophobicContact CE1-CZ2 4.47Å; Y20-W55 HydrophobicContact CE1-CZ3 4.45Å; Y20-L87 HydrophobicContact CD1-CD1 3.57Å; Y20-L87 HydrophobicContact CD2-CD1 3.59Å; Y20-L87 HydrophobicContact CE1-CD1 3.63Å; Y20-L87 HydrophobicContact CE2-CD1 3.68Å; Y20-L87 HydrophobicContact CG-CD1 3.56Å; Y20-F584 VanDerWaalsContact CB-CZ 3.47Å; Y20-F584 HydrophobicContact CG-CZ 4.15Å
21N95.6Very high93.9Very high44 Ų4438.6 Ų38.624%0.23519%0.192CC..Hα-helixtrans-56.4-30.5-176.476.276.7000114.2I17 L18 I23 Y24 N25I17-N21 PolarHBondContact O-N 3.07Å; L18-N21 PolarHBondContact O-ND2 2.86Å; N21-I23 PolarHBondContact O-N 3.4Å; N21-I23 VanDerWaalsContact O-N 3.13Å; N21-Y24 VanDerWaalsContact CA-CE1 3.44Å; N21-Y24 VanDerWaalsContact CA-CZ 3.4Å; N21-Y24 WeakPolarHBondContact CA-OH 3.43Å; N21-Y24 HydrophobicContact CB-CE1 4.3Å; N21-Y24 HydrophobicContact CB-CE2 4.3Å; N21-Y24 VanDerWaalsContact CB-OH 3.26Å; N21-Y24 WeakPolarHBondContact CB-OH 3.46Å; N21-Y24 PolarHBondContact O-N 2.88Å; N21-N25 WeakPolarHBondContact O-CB 3.28Å; N21-N25 PolarHBondContact O-N 2.86Å
22W93.9Very high93.3Very high34 Ų3434.6 Ų34.613%0.12917%0.174CC..Hα-helixtrans-63-18.3178.163.1-93.1000114.1Y20 F26 V47 N50 I51 W55Y20-W22 HydrophobicContact CD1-CZ2 4.45Å; Y20-W22 PolarHBondContact O-N 2.86Å; Y20-W22 VanDerWaalsContact O-N 3.08Å; W22-F26 WeakPolarHBondContact O-CD1 3.38Å; W22-V47 HydrophobicContact CE3-CG1 4.5Å; W22-N50 HydrophobicContact CB-CB 4.17Å; W22-N50 WeakPolarHBondContact CB-ND2 2.99Å; W22-N50 HydrophobicContact CD2-CB 3.77Å; W22-N50 HydrophobicContact CE3-CB 4.01Å; W22-N50 HydrophobicContact CG-CB 3.84Å; W22-I51 HydrophobicContact CH2-CG1 4.24Å; W22-I51 HydrophobicContact CZ3-CG1 3.84Å; W22-W55 HydrophobicContact CH2-CE3 4.19Å; W22-W55 HydrophobicContact CH2-CZ3 4.03Å; W22-W55 HydrophobicContact CZ2-CE3 4.44Å; W22-W55 AromaticContact CZ2-CZ3 3.95Å; W22-W55 HydrophobicContact CZ2-CZ3 3.95Å
23I95.5Very high92.3Very high2 Ų230.5 Ų30.51%0.0115%0.152CC..Hα-helixtrans-77.6-41.3178.9-65.4-179000111.9Y20 N21 F26 W55 L87 L580 Q581 F584Y20-I23 HydrophobicContact CD1-CD1 3.87Å; Y20-I23 HydrophobicContact CG-CD1 4.32Å; Y20-I23 WeakPolarHBondContact O-CB 3.26Å; Y20-I23 PolarHBondContact O-N 3.43Å; N21-I23 PolarHBondContact O-N 3.4Å; N21-I23 VanDerWaalsContact O-N 3.13Å; I23-F26 VanDerWaalsContact O-CD1 3.26Å; I23-F26 WeakPolarHBondContact O-CD1 3.49Å; I23-F26 WeakPolarHBondContact O-CE1 3.38Å; I23-W55 HydrophobicContact CD1-CZ3 4.28Å; I23-L87 HydrophobicContact CD1-CD1 4.46Å; I23-L87 HydrophobicContact CD1-CD2 3.95Å; I23-L580 HydrophobicContact CD1-CD1 4.34Å; I23-L580 HydrophobicContact CG1-CD1 4.49Å; I23-L580 HydrophobicContact CG2-CB 3.64Å; I23-Q581 WeakPolarHBondContact O-CG 3.47Å; I23-Q581 PolarHBondContact O-NE2 3.22Å; I23-F584 HydrophobicContact CB-CD2 4.37Å; I23-F584 HydrophobicContact CB-CE2 4.19Å; I23-F584 HydrophobicContact CD1-CE2 3.8Å; I23-F584 HydrophobicContact CD1-CZ 4.4Å; I23-F584 HydrophobicContact CG2-CD2 3.7Å; I23-F584 HydrophobicContact CG2-CE2 3.88Å
24Y94.9Very high91Very high1 Ų134.6 Ų34.60%0.00417%0.17CC..Hα-helixtrans-110.8-17.2-170.659.8-102.9000114I17 Y20 N21 C440 T445 L448 F584 L588I17-Y24 HydrophobicContact CD1-CE1 4.48Å; I17-Y24 HydrophobicContact CG2-CE1 4.32Å; I17-Y24 WeakPolarHBondContact CG2-OH 3.31Å; I17-Y24 WeakPolarHBondContact O-CE1 3.31Å; I17-Y24 PolarHBondContact O-OH 3.17Å; Y20-Y24 WeakPolarHBondContact O-CE1 3.42Å; N21-Y24 VanDerWaalsContact CA-CE1 3.44Å; N21-Y24 VanDerWaalsContact CA-CZ 3.4Å; N21-Y24 WeakPolarHBondContact CA-OH 3.43Å; N21-Y24 HydrophobicContact CB-CE1 4.3Å; N21-Y24 HydrophobicContact CB-CE2 4.3Å; N21-Y24 VanDerWaalsContact CB-OH 3.26Å; N21-Y24 WeakPolarHBondContact CB-OH 3.46Å; N21-Y24 PolarHBondContact O-N 2.88Å; Y24-C440 WeakPolarHBondContact CE2-O 3.44Å; Y24-T445 HydrophobicContact CD2-CG2 3.68Å; Y24-T445 HydrophobicContact CE2-CG2 3.72Å; Y24-L448 VanDerWaalsContact CB-CD2 3.45Å; Y24-F584 HydrophobicContact CD1-CB 4.48Å; Y24-F584 AromaticContact CD1-CD1 3.42Å; Y24-F584 HydrophobicContact CD1-CD1 3.42Å; Y24-F584 VanDerWaalsContact CD1-CD1 3.42Å; Y24-F584 AromaticContact CD1-CE1 3.71Å; Y24-F584 HydrophobicContact CD1-CE1 3.71Å; Y24-F584 AromaticContact CD1-CG 3.9Å; Y24-F584 HydrophobicContact CD1-CG 3.9Å; Y24-F584 HydrophobicContact CD1-CZ 4.4Å; Y24-F584 AromaticContact CE1-CD1 3.9Å; Y24-F584 HydrophobicContact CE1-CD1 3.9Å; Y24-F584 AromaticContact CE1-CE1 3.83Å; Y24-F584 HydrophobicContact CE1-CE1 3.83Å; Y24-F584 HydrophobicContact CG-CD1 4.35Å; Y24-L588 HydrophobicContact CD2-CD1 4.03Å; Y24-L588 HydrophobicContact CD2-CD2 4.37Å; Y24-L588 HydrophobicContact CE2-CD2 4.38Å; Y24-L588 HydrophobicContact CG-CD1 3.91Å
25N92.7Very high89.4Confident35 Ų3536 Ų3619%0.18718%0.177CC..SBendtrans-89.3-3.1-174.8-163.615.9000113.3N21 K439 S442 A444 T445N21-N25 WeakPolarHBondContact O-CB 3.28Å; N21-N25 PolarHBondContact O-N 2.86Å; N25-K439 PolarHBondContact ND2-O 3.35Å; N25-S442 WeakPolarHBondContact OD1-CB 3.43Å; N25-S442 PolarHBondContact OD1-OG 3.08Å; N25-A444 WeakPolarHBondContact O-CB 3.16Å; N25-T445 PolarHBondContact OD1-OG1 2.96Å
26F91.3Very high87.9Confident10 Ų1039.4 Ų39.44%0.04419%0.189CC..  trans-89.9150-179.783.5-92000113.2W22 I23 W28 D31 L32 V47W22-F26 WeakPolarHBondContact O-CD1 3.38Å; I23-F26 VanDerWaalsContact O-CD1 3.26Å; I23-F26 WeakPolarHBondContact O-CD1 3.49Å; I23-F26 WeakPolarHBondContact O-CE1 3.38Å; F26-W28 AromaticContact CE2-CD2 3.99Å; F26-W28 HydrophobicContact CE2-CD2 3.99Å; F26-W28 HydrophobicContact CE2-CE3 4.22Å; F26-W28 HydrophobicContact CE2-CG 4.24Å; F26-W28 HydrophobicContact CZ-CD2 4.28Å; F26-W28 HydrophobicContact CZ-CE3 4.49Å; F26-W28 HydrophobicContact CZ-CH2 4.4Å; F26-W28 HydrophobicContact CZ-CZ2 4.18Å; F26-D31 HydrophobicContact CB-CB 4.06Å; F26-L32 HydrophobicContact CD2-CD2 4.2Å; F26-L32 HydrophobicContact CD2-CG 4.21Å; F26-L32 HydrophobicContact CE2-CD1 4.18Å; F26-L32 HydrophobicContact CE2-CD2 3.78Å; F26-L32 HydrophobicContact CE2-CG 3.81Å; F26-L32 HydrophobicContact CZ-CD2 4.42Å; F26-V47 HydrophobicContact CB-CG2 3.35Å; F26-V47 HydrophobicContact CD1-CG1 3.8Å; F26-V47 HydrophobicContact CD1-CG2 4.08Å; F26-V47 HydrophobicContact CD2-CG1 4.41Å; F26-V47 HydrophobicContact CD2-CG2 4Å; F26-V47 HydrophobicContact CE1-CG1 3.94Å; F26-V47 HydrophobicContact CG-CB 4.46Å; F26-V47 HydrophobicContact CG-CG1 4.05Å; F26-V47 HydrophobicContact CG-CG2 3.57Å; F26-V47 HydrophobicContact CZ-CG1 4.35Å
27Q89.6Confident86.2Confident102 Ų10245.5 Ų45.548%0.47722%0.216SC..  trans-91.3124.4169.9-57.8-172.817.300110.4I29 D31 A444Q27-I29 VanDerWaalsContact CB-O 3.22Å; Q27-I29 WeakPolarHBondContact CB-O 3.39Å; Q27-I29 PolarHBondContact O-N 3.4Å; Q27-I29 VanDerWaalsContact O-N 3.08Å; Q27-D31 PolarHBondContact N-OD2 3.37Å; Q27-D31 VanDerWaalsContact O-CB 3.28Å; Q27-D31 WeakPolarHBondContact O-CB 3.43Å; Q27-D31 PolarHBondContact O-N 3Å; Q27-A444 HydrophobicContact CG-CB 4.18Å
28W90.3Very high84.5Confident39 Ų3953.2 Ų53.215%0.14826%0.258CS..THydrogen-bonded Turntrans-50.2-37.1175.9-75.194.2000113.5F26 L32 V472 I574 L577 L578F26-W28 AromaticContact CE2-CD2 3.99Å; F26-W28 HydrophobicContact CE2-CD2 3.99Å; F26-W28 HydrophobicContact CE2-CE3 4.22Å; F26-W28 HydrophobicContact CE2-CG 4.24Å; F26-W28 HydrophobicContact CZ-CD2 4.28Å; F26-W28 HydrophobicContact CZ-CE3 4.49Å; F26-W28 HydrophobicContact CZ-CH2 4.4Å; F26-W28 HydrophobicContact CZ-CZ2 4.18Å; W28-L32 HydrophobicContact CD2-CD1 4.37Å; W28-L32 HydrophobicContact CE3-CD1 3.41Å; W28-L32 VanDerWaalsContact CE3-CD1 3.41Å; W28-L32 HydrophobicContact CZ3-CD1 3.85Å; W28-L32 WeakPolarHBondContact O-CB 3.38Å; W28-L32 WeakPolarHBondContact O-CD1 3.48Å; W28-V472 HydrophobicContact CE3-CG1 3.91Å; W28-V472 HydrophobicContact CE3-CG2 4.34Å; W28-I574 HydrophobicContact CH2-CG2 4.39Å; W28-I574 HydrophobicContact CZ3-CB 4.29Å; W28-I574 HydrophobicContact CZ3-CG1 3.98Å; W28-I574 HydrophobicContact CZ3-CG2 4.1Å; W28-L577 HydrophobicContact CH2-CB 3.64Å; W28-L577 HydrophobicContact CZ2-CB 4.43Å; W28-L577 HydrophobicContact CZ3-CB 4.24Å; W28-L578 HydrophobicContact CH2-CB 4.11Å; W28-L578 HydrophobicContact CZ2-CB 4.12Å; W28-L578 HydrophobicContact CZ2-CD1 4.2Å
29I87.5Confident82.7Confident47 Ų4754.1 Ų54.124%0.24127%0.266CS..THydrogen-bonded Turntrans-106137.3175.2-48-52.8000107.6Q27 D31 R475 I476 D479Q27-I29 VanDerWaalsContact CB-O 3.22Å; Q27-I29 WeakPolarHBondContact CB-O 3.39Å; Q27-I29 PolarHBondContact O-N 3.4Å; Q27-I29 VanDerWaalsContact O-N 3.08Å; I29-D31 VanDerWaalsContact C-N 3.32Å; I29-D31 PolarHBondContact O-N 3.07Å; I29-R475 HydrophobicContact CD1-CB 3.38Å; I29-R475 HydrophobicContact CG1-CB 3.99Å; I29-I476 HydrophobicContact CD1-CG1 3.85Å; I29-D479 HydrophobicContact CG2-CB 3.71Å
30G81.7Confident80.9Confident26 Ų2652.7 Ų52.727%0.26827%0.268SS..THydrogen-bonded Turntrans86.5-47.3-174.500000114.2C33 K34 D479G30-C33 CarbonylContact O-C 3.6Å; G30-K34 WeakPolarHBondContact O-CG 3.47Å; G30-D479 PolarHBondContact N-OD2 2.9Å
31D84.2Confident79.1Confident32 Ų3257 Ų5717%0.17129%0.293CS..THydrogen-bonded Turntrans-83.7-38.8179.5-69.1-46.7000113.3F26 Q27 I29 C33 K34 S45 V47F26-D31 HydrophobicContact CB-CB 4.06Å; Q27-D31 PolarHBondContact N-OD2 3.37Å; Q27-D31 VanDerWaalsContact O-CB 3.28Å; Q27-D31 WeakPolarHBondContact O-CB 3.43Å; Q27-D31 PolarHBondContact O-N 3Å; I29-D31 VanDerWaalsContact C-N 3.32Å; I29-D31 PolarHBondContact O-N 3.07Å; D31-C33 PolarHBondContact O-N 3.33Å; D31-K34 WeakPolarHBondContact OD1-CE 3.35Å; D31-K34 IonicContact OD1-NZ 2.72Å; D31-K34 PolarHBondContact OD1-NZ 3.4Å; D31-S45 WeakPolarHBondContact O-CB 3.48Å; D31-S45 PolarHBondContact O-OG 2.92Å; D31-V47 HydrophobicContact CB-CG2 4.43Å
32L83.2Confident77.5Confident1 Ų156.4 Ų56.41%0.00529%0.29CS..SBendtrans-67.1-17.5178.5-74.6-176.4000113.8F26 W28 S45 V47 I476 Y566 I570 L577F26-L32 HydrophobicContact CD2-CD2 4.2Å; F26-L32 HydrophobicContact CD2-CG 4.21Å; F26-L32 HydrophobicContact CE2-CD1 4.18Å; F26-L32 HydrophobicContact CE2-CD2 3.78Å; F26-L32 HydrophobicContact CE2-CG 3.81Å; F26-L32 HydrophobicContact CZ-CD2 4.42Å; W28-L32 HydrophobicContact CD2-CD1 4.37Å; W28-L32 HydrophobicContact CE3-CD1 3.41Å; W28-L32 VanDerWaalsContact CE3-CD1 3.41Å; W28-L32 HydrophobicContact CZ3-CD1 3.85Å; W28-L32 WeakPolarHBondContact O-CB 3.38Å; W28-L32 WeakPolarHBondContact O-CD1 3.48Å; L32-S45 WeakPolarHBondContact O-CB 3.46Å; L32-V47 HydrophobicContact CD2-CB 4.37Å; L32-V47 HydrophobicContact CD2-CG1 4.33Å; L32-I476 HydrophobicContact CB-CD1 4.21Å; L32-I476 HydrophobicContact CD1-CD1 4.24Å; L32-Y566 PolarHBondContact O-OH 3.33Å; L32-I570 HydrophobicContact CB-CD1 4.4Å; L32-I570 HydrophobicContact CD1-CG2 4.49Å; L32-I570 WeakPolarHBondContact O-CD1 3.32Å; L32-L577 HydrophobicContact CD2-CD1 3.99Å
33C76Confident76Confident5 Ų560.2 Ų60.23%0.03431%0.309CS..SBendtrans-147.9101.2174.8-1710000109G30 D31 I476 Y566G30-C33 CarbonylContact O-C 3.6Å; D31-C33 PolarHBondContact O-N 3.33Å; C33-I476 HydrophobicContact CB-CG2 3.81Å; C33-Y566 HydrophobicContact CB-CE1 4.11Å
34K70.9Confident74.1Confident87 Ų8763.9 Ų63.938%0.37833%0.328SS..EExtended strand (participates in β ladder)trans-100113.6177.7-72.6-175.3-175.9-178.70109.8G30 D31 H43G30-K34 WeakPolarHBondContact O-CG 3.47Å; D31-K34 WeakPolarHBondContact OD1-CE 3.35Å; D31-K34 IonicContact OD1-NZ 2.72Å; D31-K34 PolarHBondContact OD1-NZ 3.4Å; K34-H43 PolarHBondContact O-N 3.45Å
35I65.8Low72.8Confident31 Ų3163.9 Ų63.916%0.15933%0.327CS..EExtended strand (participates in β ladder)trans-109.9131.4170.2-56-162.8000108.8I42 L480 I483 Y563I35-I42 HydrophobicContact CD1-CD1 4.15Å; I35-I42 HydrophobicContact CD1-CG1 3.48Å; I35-I42 VanDerWaalsContact CD1-CG1 3.48Å; I35-I42 HydrophobicContact CG1-CG1 3.65Å; I35-L480 HydrophobicContact CB-CD2 4.35Å; I35-L480 HydrophobicContact CD1-CD1 4.2Å; I35-L480 HydrophobicContact CD1-CD2 3.26Å; I35-L480 HydrophobicContact CD1-CG 4.25Å; I35-L480 HydrophobicContact CG1-CD2 3.54Å; I35-I483 HydrophobicContact CB-CG2 4.36Å; I35-I483 HydrophobicContact CG2-CG2 4.46Å; I35-Y563 HydrophobicContact CD1-CE2 3.77Å
36K65.4Low71.7Confident153 Ų15364.7 Ų64.767%0.66534%0.336SS*.  trans-83.4131.1164.8-68.1-177.7178.1179.80107.7D38 S39K36-D38 PolarHBondContact O-N 3.14Å; K36-S39 PolarHBondContact O-N 3.32Å; K36-S39 VanDerWaalsContact O-O 3.1Å
37K62.8Low71.2Confident134 Ų13464.4 Ų64.458%0.58334%0.335SS*.THydrogen-bonded Turntrans-48.6-34.8179.6-77.1-166.8168.8-161.50113.4I483 D486K37-I483 HydrophobicContact CG-CG2 4Å; K37-D486 IonicContact NZ-OD1 2.72Å; K37-D486 PolarHBondContact NZ-OD1 2.92Å
38D62.2Low71Confident167 Ų16760 Ų6089%0.89332%0.315SS*.THydrogen-bonded Turntrans-91.13.6-174-51.9-33.7000114.7K36K36-D38 PolarHBondContact O-N 3.14Å
39S60.6Low70.7Confident45 Ų4563.4 Ų63.432%0.31533%0.332SS..  trans-134129.7178.167.80000111.9K36 N41K36-S39 PolarHBondContact O-N 3.32Å; K36-S39 VanDerWaalsContact O-O 3.1Å; S39-N41 PolarHBondContact O-N 2.9Å; S39-N41 PolarHBondContact OG-O 2.8Å
40S58.3Low70.9Confident80 Ų8064.9 Ų64.956%0.55934%0.341SS*.SBendtrans-62.5-20.7171.1520000113.3I42 Y563S40-I42 PolarHBondContact O-N 3.28Å; S40-Y563 PolarHBondContact O-OH 3.06Å
41N59.7Low71.4Confident123 Ų12364 Ų6466%0.65833%0.33SS*.SBendtrans-75.6116.1-179.5-67.5-12000110.7S39 H43S39-N41 PolarHBondContact O-N 2.9Å; S39-N41 PolarHBondContact OG-O 2.8Å; N41-H43 PolarHBondContact O-N 3.38Å
42I61.3Low71.9Confident30 Ų3064.9 Ų64.915%0.15434%0.337CS..EExtended strand (participates in β ladder)trans-56.3126.2160.1-77.9175.3000107.3I35 S40 I44 Y563 Y566I35-I42 HydrophobicContact CD1-CD1 4.15Å; I35-I42 HydrophobicContact CD1-CG1 3.48Å; I35-I42 VanDerWaalsContact CD1-CG1 3.48Å; I35-I42 HydrophobicContact CG1-CG1 3.65Å; S40-I42 PolarHBondContact O-N 3.28Å; I42-I44 PolarHBondContact O-N 3.14Å; I42-Y563 HydrophobicContact CB-CD1 4.47Å; I42-Y563 HydrophobicContact CB-CE1 4.3Å; I42-Y563 HydrophobicContact CD1-CD1 3.03Å; I42-Y563 HydrophobicContact CD1-CD2 3.87Å; I42-Y563 HydrophobicContact CD1-CE1 3.46Å; I42-Y563 VanDerWaalsContact CD1-CE1 3.46Å; I42-Y563 HydrophobicContact CD1-CE2 4.21Å; I42-Y563 HydrophobicContact CD1-CG 3.26Å; I42-Y563 HydrophobicContact CG1-CD1 3.57Å; I42-Y563 HydrophobicContact CG1-CE1 3.4Å; I42-Y563 VanDerWaalsContact CG1-CE1 3.4Å; I42-Y563 HydrophobicContact CG1-CE2 4.43Å; I42-Y563 HydrophobicContact CG1-CG 4.17Å; I42-Y566 HydrophobicContact CD1-CD1 3.85Å; I42-Y566 HydrophobicContact CD1-CE1 4.33Å; I42-Y566 HydrophobicContact CD1-CG 4.49Å; I42-Y566 HydrophobicContact CG2-CD1 4.24Å; I42-Y566 HydrophobicContact CG2-CE1 3.94Å
43H61Low72.3Confident115 Ų11570.2 Ų70.253%0.53237%0.37SS..EExtended strand (participates in β ladder)trans-76.7122160.1-158.3-69.8000106.5K34 N41 S45 E49K34-H43 PolarHBondContact O-N 3.45Å; N41-H43 PolarHBondContact O-N 3.38Å; H43-S45 PolarHBondContact O-N 3.38Å; H43-S45 VanDerWaalsContact O-N 3.15Å; H43-E49 IonicContact CE1-OE1 3.98Å
44I57.6Low73.2Confident79 Ų7972.8 Ų72.841%0.40539%0.388SS..PPolyproline II helixtrans-53128.9172.2-62.4174.6000106.3I42 S46 I48 E49 Y566I42-I44 PolarHBondContact O-N 3.14Å; I44-S46 PolarHBondContact O-N 2.87Å; I44-I48 HydrophobicContact CG2-CB 4.08Å; I44-I48 HydrophobicContact CG2-CG2 4.27Å; I44-E49 HydrophobicContact CB-CG 4.19Å; I44-E49 HydrophobicContact CG2-CG 3.69Å; I44-Y566 HydrophobicContact CG1-CE2 4.43Å; I44-Y566 HydrophobicContact CG2-CE2 4.31Å
45S67.1Low74.4Confident0 Ų069 Ų690%037%0.371CS..PPolyproline II helixtrans-49.1130.1175.2176.70000110.2D31 L32 H43 V47 I48 E49 Y566D31-S45 WeakPolarHBondContact O-CB 3.48Å; D31-S45 PolarHBondContact O-OG 2.92Å; L32-S45 WeakPolarHBondContact O-CB 3.46Å; H43-S45 PolarHBondContact O-N 3.38Å; H43-S45 VanDerWaalsContact O-N 3.15Å; S45-V47 PolarHBondContact O-N 3.4Å; S45-V47 VanDerWaalsContact OG-CB 3.31Å; S45-V47 WeakPolarHBondContact OG-CB 3.38Å; S45-V47 WeakPolarHBondContact OG-CG2 3.41Å; S45-V47 PolarHBondContact OG-N 3.18Å; S45-V47 VanDerWaalsContact OG-N 3.1Å; S45-I48 PolarHBondContact O-N 3.36Å; S45-E49 PolarHBondContact O-N 2.97Å; S45-Y566 PolarHBondContact N-OH 3.13Å
46S70Confident75.8Confident53 Ų5370.1 Ų70.137%0.37138%0.375SS..Hα-helixtrans-52.6-25.3170.656.30000111.9I44 N50I44-S46 PolarHBondContact O-N 2.87Å; S46-N50 VanDerWaalsContact O-CB 3.3Å; S46-N50 WeakPolarHBondContact O-CB 3.39Å; S46-N50 PolarHBondContact O-N 3.46Å; S46-N50 PolarHBondContact O-ND2 3.49Å
47V80Confident77.1Confident4 Ų467.6 Ų67.62%0.02437%0.369CS..Hα-helixtrans-63.9-48.4175.2-175.40000110.9W22 F26 D31 L32 S45 N50 I51 L577W22-V47 HydrophobicContact CE3-CG1 4.5Å; F26-V47 HydrophobicContact CB-CG2 3.35Å; F26-V47 HydrophobicContact CD1-CG1 3.8Å; F26-V47 HydrophobicContact CD1-CG2 4.08Å; F26-V47 HydrophobicContact CD2-CG1 4.41Å; F26-V47 HydrophobicContact CD2-CG2 4Å; F26-V47 HydrophobicContact CE1-CG1 3.94Å; F26-V47 HydrophobicContact CG-CB 4.46Å; F26-V47 HydrophobicContact CG-CG1 4.05Å; F26-V47 HydrophobicContact CG-CG2 3.57Å; F26-V47 HydrophobicContact CZ-CG1 4.35Å; D31-V47 HydrophobicContact CB-CG2 4.43Å; L32-V47 HydrophobicContact CD2-CB 4.37Å; L32-V47 HydrophobicContact CD2-CG1 4.33Å; S45-V47 PolarHBondContact O-N 3.4Å; S45-V47 VanDerWaalsContact OG-CB 3.31Å; S45-V47 WeakPolarHBondContact OG-CB 3.38Å; S45-V47 WeakPolarHBondContact OG-CG2 3.41Å; S45-V47 PolarHBondContact OG-N 3.18Å; S45-V47 VanDerWaalsContact OG-N 3.1Å; V47-N50 PolarHBondContact O-N 3.42Å; V47-I51 WeakPolarHBondContact O-CG1 3.39Å; V47-I51 PolarHBondContact O-N 3.34Å; V47-L577 HydrophobicContact CG1-CD2 4.47Å
48I84.5Confident78.7Confident9 Ų962.6 Ų62.65%0.04635%0.349CS..Hα-helixtrans-69.9-36.7-178.3-61178000110.6I44 S45 N50 I51 Y566 I570 L573I44-I48 HydrophobicContact CG2-CB 4.08Å; I44-I48 HydrophobicContact CG2-CG2 4.27Å; S45-I48 PolarHBondContact O-N 3.36Å; I48-N50 VanDerWaalsContact C-N 3.28Å; I48-N50 PolarHBondContact O-N 3.38Å; I48-I51 PolarHBondContact O-N 3.07Å; I48-Y566 HydrophobicContact CD1-CE2 3.84Å; I48-Y566 WeakPolarHBondContact CD1-OH 3.45Å; I48-I570 HydrophobicContact CD1-CD1 4.45Å; I48-I570 HydrophobicContact CD1-CG1 3.89Å; I48-L573 HydrophobicContact CG2-CD1 4.37Å
49E85.4Confident80.3Confident110 Ų11054.7 Ų54.751%0.51431%0.307SS..Hα-helixtrans-64.9-32.3175.7-66.2178.9166.800112.4H43 I44 S45 I51H43-E49 IonicContact CE1-OE1 3.98Å; I44-E49 HydrophobicContact CB-CG 4.19Å; I44-E49 HydrophobicContact CG2-CG 3.69Å; S45-E49 PolarHBondContact O-N 2.97Å; E49-I51 VanDerWaalsContact C-N 3.32Å; E49-I51 PolarHBondContact O-N 3.36Å
50N90.1Very high81.9Confident79 Ų7956.1 Ų56.142%0.42231%0.308SS..THydrogen-bonded Turntrans-78.5-11.1178.9-71.6-21.8000113.9W22 S46 V47 I48 P52W22-N50 HydrophobicContact CB-CB 4.17Å; W22-N50 WeakPolarHBondContact CB-ND2 2.99Å; W22-N50 HydrophobicContact CD2-CB 3.77Å; W22-N50 HydrophobicContact CE3-CB 4.01Å; W22-N50 HydrophobicContact CG-CB 3.84Å; S46-N50 VanDerWaalsContact O-CB 3.3Å; S46-N50 WeakPolarHBondContact O-CB 3.39Å; S46-N50 PolarHBondContact O-N 3.46Å; S46-N50 PolarHBondContact O-ND2 3.49Å; V47-N50 PolarHBondContact O-N 3.42Å; I48-N50 VanDerWaalsContact C-N 3.28Å; I48-N50 PolarHBondContact O-N 3.38Å; N50-P52 VanDerWaalsContact O-CD 3.3Å; N50-P52 WeakPolarHBondContact O-CD 3.25Å
51I93.1Very high83.6Confident8 Ų858.1 Ų58.14%0.04131%0.312CS..SBendtrans-72.7120.3177.7-54.6173.1000108.6W22 V47 I48 E49 T53 W55 K56 L59 L573 L577W22-I51 HydrophobicContact CH2-CG1 4.24Å; W22-I51 HydrophobicContact CZ3-CG1 3.84Å; V47-I51 WeakPolarHBondContact O-CG1 3.39Å; V47-I51 PolarHBondContact O-N 3.34Å; I48-I51 PolarHBondContact O-N 3.07Å; E49-I51 VanDerWaalsContact C-N 3.32Å; E49-I51 PolarHBondContact O-N 3.36Å; I51-T53 PolarHBondContact O-N 3.35Å; I51-W55 HydrophobicContact CG2-CB 3.91Å; I51-K56 HydrophobicContact CG2-CB 3.96Å; I51-L59 HydrophobicContact CG2-CD1 4.42Å; I51-L573 HydrophobicContact CD1-CD1 4.24Å; I51-L573 HydrophobicContact CD1-CD2 4.47Å; I51-L577 HydrophobicContact CD1-CD2 3.94Å
52P94.7Very high85.2Confident50 Ų5053 Ų5333%0.32529%0.287SS..  trans-54.8138173.1-25.235.1000111.2N50 S54 W55 K56N50-P52 VanDerWaalsContact O-CD 3.3Å; N50-P52 WeakPolarHBondContact O-CD 3.25Å; P52-S54 PolarHBondContact O-N 2.91Å; P52-S54 VanDerWaalsContact O-N 3.12Å; P52-W55 HydrophobicContact CB-CB 4.37Å; P52-W55 HydrophobicContact CB-CD2 4.21Å; P52-W55 HydrophobicContact CB-CG 3.9Å; P52-W55 HydrophobicContact CG-CD2 3.76Å; P52-W55 HydrophobicContact CG-CE3 4.16Å; P52-W55 HydrophobicContact CG-CG 3.99Å; P52-W55 HydrophobicContact CG-CZ2 4.42Å; P52-W55 WeakPolarHBondContact O-CA 3.36Å; P52-W55 WeakPolarHBondContact O-CB 3.44Å; P52-W55 PolarHBondContact O-N 3.06Å; P52-K56 PolarHBondContact O-N 2.97Å
53T92.2Very high86.8Confident112 Ų11255.1 Ų55.169%0.68730%0.299SS*.Hα-helixtrans-55.1-37.5-176.1-47.70000112.6I51 W55 K56 N57I51-T53 PolarHBondContact O-N 3.35Å; T53-W55 VanDerWaalsContact C-N 3.3Å; T53-W55 PolarHBondContact O-N 3.11Å; T53-K56 PolarHBondContact O-N 3.24Å; T53-N57 PolarHBondContact O-N 3.12Å
54S93.8Very high88.4Confident60 Ų6050.1 Ų50.142%0.4228%0.276SS..Hα-helixtrans-62.6-35.4175.6540000112.7P52 P81P52-S54 PolarHBondContact O-N 2.91Å; P52-S54 VanDerWaalsContact O-N 3.12Å; S54-P81 WeakPolarHBondContact O-CG 3.35Å
55W96.9Very high90.2Very high6 Ų652.6 Ų52.62%0.02329%0.286CS..Hα-helixtrans-75.7-41.6177.9-61.815.6000110.7Y20 W22 I23 I51 P52 T53 N57 V58 L59 D83 L84 L87Y20-W55 HydrophobicContact CD1-CH2 4.31Å; Y20-W55 AromaticContact CE1-CH2 3.67Å; Y20-W55 HydrophobicContact CE1-CH2 3.67Å; Y20-W55 HydrophobicContact CE1-CZ2 4.47Å; Y20-W55 HydrophobicContact CE1-CZ3 4.45Å; W22-W55 HydrophobicContact CH2-CE3 4.19Å; W22-W55 HydrophobicContact CH2-CZ3 4.03Å; W22-W55 HydrophobicContact CZ2-CE3 4.44Å; W22-W55 AromaticContact CZ2-CZ3 3.95Å; W22-W55 HydrophobicContact CZ2-CZ3 3.95Å; I23-W55 HydrophobicContact CD1-CZ3 4.28Å; I51-W55 HydrophobicContact CG2-CB 3.91Å; P52-W55 HydrophobicContact CB-CB 4.37Å; P52-W55 HydrophobicContact CB-CD2 4.21Å; P52-W55 HydrophobicContact CB-CG 3.9Å; P52-W55 HydrophobicContact CG-CD2 3.76Å; P52-W55 HydrophobicContact CG-CE3 4.16Å; P52-W55 HydrophobicContact CG-CG 3.99Å; P52-W55 HydrophobicContact CG-CZ2 4.42Å; P52-W55 WeakPolarHBondContact O-CA 3.36Å; P52-W55 WeakPolarHBondContact O-CB 3.44Å; P52-W55 PolarHBondContact O-N 3.06Å; T53-W55 VanDerWaalsContact C-N 3.3Å; T53-W55 PolarHBondContact O-N 3.11Å; W55-N57 VanDerWaalsContact C-N 3.28Å; W55-N57 PolarHBondContact O-N 2.87Å; W55-V58 PolarHBondContact O-N 3.1Å; W55-L59 HydrophobicContact CB-CD1 4.2Å; W55-L59 WeakPolarHBondContact O-CB 3.38Å; W55-L59 WeakPolarHBondContact O-CG 3.29Å; W55-L59 PolarHBondContact O-N 3.28Å; W55-D83 HydrophobicContact CZ2-CB 4.45Å; W55-L84 HydrophobicContact CB-CD2 4.36Å; W55-L84 HydrophobicContact CD2-CB 4.14Å; W55-L84 HydrophobicContact CD2-CD1 3.77Å; W55-L84 HydrophobicContact CD2-CG 4.38Å; W55-L84 HydrophobicContact CE3-CD1 3.78Å; W55-L84 HydrophobicContact CG-CB 4.18Å; W55-L84 HydrophobicContact CG-CD1 4.26Å; W55-L84 HydrophobicContact CG-CD2 4.23Å; W55-L84 HydrophobicContact CG-CG 4.46Å; W55-L84 HydrophobicContact CH2-CD1 4.32Å; W55-L84 HydrophobicContact CZ2-CB 4.29Å; W55-L84 HydrophobicContact CZ2-CD1 4.33Å; W55-L84 HydrophobicContact CZ3-CD1 4.06Å; W55-L87 HydrophobicContact CH2-CB 4.23Å; W55-L87 HydrophobicContact CH2-CD1 4.35Å; W55-L87 HydrophobicContact CH2-CD2 3.8Å; W55-L87 HydrophobicContact CH2-CG 4.36Å; W55-L87 HydrophobicContact CZ3-CD2 3.9Å
56K94.2Very high91.5Very high55 Ų5554.9 Ų54.924%0.23930%0.297CS..Hα-helixtrans-55.1-43.5-176.8-167.9177.2179.8179.50111.8I51 P52 T53 V58 K60 Q569 L573I51-K56 HydrophobicContact CG2-CB 3.96Å; P52-K56 PolarHBondContact O-N 2.97Å; T53-K56 PolarHBondContact O-N 3.24Å; K56-V58 VanDerWaalsContact C-N 3.32Å; K56-V58 PolarHBondContact O-N 2.84Å; K56-K60 WeakPolarHBondContact O-CB 3.41Å; K56-K60 PolarHBondContact O-N 3.42Å; K56-K60 VanDerWaalsContact O-N 3.07Å; K56-Q569 VanDerWaalsContact NZ-OE1 3.07Å; K56-L573 HydrophobicContact CG-CD1 4.5Å; K56-L573 HydrophobicContact CG-CD2 4.14Å
57N93Very high92.9Very high100 Ų10052.4 Ų52.454%0.53528%0.279SS..Hα-helixtrans-62.5-39.3179.1-72.1-13.4000112.6T53 W55 N61T53-N57 PolarHBondContact O-N 3.12Å; W55-N57 VanDerWaalsContact C-N 3.28Å; W55-N57 PolarHBondContact O-N 2.87Å; N57-N61 WeakPolarHBondContact O-CB 3.43Å; N57-N61 VanDerWaalsContact O-CG 3.27Å; N57-N61 PolarHBondContact O-N 2.89Å; N57-N61 PolarHBondContact O-ND2 3.01Å
58V96Very high93.7Very high29 Ų2953.7 Ų53.718%0.17629%0.285CS..Hα-helixtrans-76.6-50.9-177.7175.10000110.7W55 K56 K60 N61 A62 W80 P81 L84W55-V58 PolarHBondContact O-N 3.1Å; K56-V58 VanDerWaalsContact C-N 3.32Å; K56-V58 PolarHBondContact O-N 2.84Å; V58-K60 PolarHBondContact O-N 3.06Å; V58-N61 PolarHBondContact O-N 3.42Å; V58-N61 VanDerWaalsContact O-N 3.09Å; V58-A62 VanDerWaalsContact O-CB 3.28Å; V58-A62 WeakPolarHBondContact O-CB 3.28Å; V58-A62 PolarHBondContact O-N 3.38Å; V58-W80 HydrophobicContact CG1-CD2 3.24Å; V58-W80 HydrophobicContact CG1-CE3 3.44Å; V58-W80 VanDerWaalsContact CG1-CE3 3.44Å; V58-W80 HydrophobicContact CG1-CG 3.83Å; V58-W80 HydrophobicContact CG1-CH2 3.66Å; V58-W80 HydrophobicContact CG1-CZ2 3.5Å; V58-W80 HydrophobicContact CG1-CZ3 3.64Å; V58-P81 HydrophobicContact CG2-CG 4.09Å; V58-L84 HydrophobicContact CG1-CD2 4.37Å
59L96.7Very high94.2Very high1 Ų156.1 Ų56.11%0.00530%0.297CS..Hα-helixtrans-62.4-27-179.3-66.4177.1000113.1I51 W55 L67 W80 L84 L573 L580I51-L59 HydrophobicContact CG2-CD1 4.42Å; W55-L59 HydrophobicContact CB-CD1 4.2Å; W55-L59 WeakPolarHBondContact O-CB 3.38Å; W55-L59 WeakPolarHBondContact O-CG 3.29Å; W55-L59 PolarHBondContact O-N 3.28Å; L59-L67 HydrophobicContact CD2-CD2 4.32Å; L59-W80 HydrophobicContact CD2-CZ3 4.47Å; L59-L84 HydrophobicContact CD2-CD2 4.35Å; L59-L84 HydrophobicContact CG-CD2 4.49Å; L59-L573 HydrophobicContact CB-CD2 4.25Å; L59-L580 HydrophobicContact CD1-CD1 3.79Å; L59-L580 HydrophobicContact CD1-CG 4.32Å
60K94Very high94.8Very high76 Ų7650.9 Ų50.933%0.3327%0.272SS..Hα-helixtrans-75.6-34.9176.1-170.6-171.9176.5-173.60112.7K56 V58 N572 L573K56-K60 WeakPolarHBondContact O-CB 3.41Å; K56-K60 PolarHBondContact O-N 3.42Å; K56-K60 VanDerWaalsContact O-N 3.07Å; V58-K60 PolarHBondContact O-N 3.06Å; K60-N572 HydrophobicContact CD-CB 4.28Å; K60-N572 WeakPolarHBondContact CE-ND2 3.49Å; K60-N572 HydrophobicContact CG-CB 3.43Å; K60-N572 VanDerWaalsContact CG-CB 3.43Å; K60-L573 HydrophobicContact CB-CD2 4.16Å
61N93.2Very high95.1Very high121 Ų12147.3 Ų47.365%0.64725%0.253SS*.Hα-helixtrans-106.4-17.2-167.8-64.5-23.8000113.6N57 V58N57-N61 WeakPolarHBondContact O-CB 3.43Å; N57-N61 VanDerWaalsContact O-CG 3.27Å; N57-N61 PolarHBondContact O-N 2.89Å; N57-N61 PolarHBondContact O-ND2 3.01Å; V58-N61 PolarHBondContact O-N 3.42Å; V58-N61 VanDerWaalsContact O-N 3.09Å
62A95.2Very high95.1Very high17 Ų1752.4 Ų52.414%0.1428%0.28CS..  trans-63.6136-179.800000111.4V58 E66 L67 W80V58-A62 VanDerWaalsContact O-CB 3.28Å; V58-A62 WeakPolarHBondContact O-CB 3.28Å; V58-A62 PolarHBondContact O-N 3.38Å; A62-E66 VanDerWaalsContact CA-OE2 3.3Å; A62-E66 WeakPolarHBondContact CA-OE2 3.45Å; A62-E66 HydrophobicContact CB-CB 4.23Å; A62-L67 HydrophobicContact CB-CD1 4.5Å; A62-L67 HydrophobicContact CB-CD2 4.05Å; A62-L67 HydrophobicContact CB-CG 3.89Å; A62-W80 HydrophobicContact CB-CH2 3.87Å; A62-W80 HydrophobicContact CB-CZ2 3.61Å
63N93.6Very high95Very high74 Ų7454.1 Ų54.140%0.39629%0.287SS..  trans-75.5170.2171.667.149.3000111Q65 E66 L67N63-Q65 VanDerWaalsContact C-N 3.28Å; N63-Q65 PolarHBondContact O-N 2.99Å; N63-Q65 WeakPolarHBondContact OD1-CA 3.38Å; N63-Q65 WeakPolarHBondContact OD1-CB 3.38Å; N63-Q65 PolarHBondContact OD1-N 2.87Å; N63-E66 PolarHBondContact N-OE2 3.06Å; N63-E66 PolarHBondContact ND2-OE2 2.71Å; N63-E66 PolarHBondContact O-N 3.47Å; N63-E66 WeakPolarHBondContact OD1-CG 3.5Å; N63-E66 PolarHBondContact OD1-N 3.27Å; N63-L67 WeakPolarHBondContact O-CG 3.43Å; N63-L67 PolarHBondContact O-N 3.4Å; N63-L67 VanDerWaalsContact O-N 3.1Å
64L95Very high94.9Very high10 Ų1049.2 Ų49.25%0.05226%0.256CS..Hα-helixtrans-60.9-37.6-177.9-178.361.6000112.5L67 Q68 W457 W460 T461 E462 A465L64-L67 PolarHBondContact O-N 3.3Å; L64-Q68 HydrophobicContact CD1-CG 4.19Å; L64-Q68 HydrophobicContact CG-CG 4.26Å; L64-Q68 WeakPolarHBondContact O-CB 3.42Å; L64-Q68 VanDerWaalsContact O-CG 3.23Å; L64-Q68 WeakPolarHBondContact O-CG 3.47Å; L64-Q68 PolarHBondContact O-N 3.46Å; L64-W457 HydrophobicContact CD1-CZ2 4.05Å; L64-W460 HydrophobicContact CD2-CB 4.41Å; L64-W460 WeakPolarHBondContact CD2-O 3.4Å; L64-T461 VanDerWaalsContact CD2-O 3.28Å; L64-T461 WeakPolarHBondContact CD2-O 3.22Å; L64-E462 HydrophobicContact CB-CG 4.39Å; L64-E462 WeakPolarHBondContact CB-OE1 3.25Å; L64-E462 PolarHBondContact N-OE1 3.11Å; L64-E462 VanDerWaalsContact N-OE1 3.1Å; L64-A465 HydrophobicContact CD1-CB 4.18Å; L64-A465 HydrophobicContact CD2-CB 3.99Å
65Q94.6Very high94.7Very high131 Ų13149.7 Ų49.761%0.61226%0.26SS*.Hα-helixtrans-64.6-44.8-179.5-174.4-179.27.400111.6N63 L67 Q68 M69N63-Q65 VanDerWaalsContact C-N 3.28Å; N63-Q65 PolarHBondContact O-N 2.99Å; N63-Q65 WeakPolarHBondContact OD1-CA 3.38Å; N63-Q65 WeakPolarHBondContact OD1-CB 3.38Å; N63-Q65 PolarHBondContact OD1-N 2.87Å; Q65-L67 VanDerWaalsContact C-N 3.32Å; Q65-L67 PolarHBondContact O-N 2.85Å; Q65-Q68 PolarHBondContact O-N 3.33Å; Q65-M69 HydrophobicContact CG-SD 4.48Å; Q65-M69 WeakPolarHBondContact O-CG 3.29Å; Q65-M69 PolarHBondContact O-N 3.09Å
66E96.3Very high94.5Very high48 Ų4855 Ų5522%0.22429%0.289CS..Hα-helixtrans-61.6-41.6175.2-69.9176.4116.100111.2A62 N63 Q68 M69 F70 L77 H79 W80A62-E66 VanDerWaalsContact CA-OE2 3.3Å; A62-E66 WeakPolarHBondContact CA-OE2 3.45Å; A62-E66 HydrophobicContact CB-CB 4.23Å; N63-E66 PolarHBondContact N-OE2 3.06Å; N63-E66 PolarHBondContact ND2-OE2 2.71Å; N63-E66 PolarHBondContact O-N 3.47Å; N63-E66 WeakPolarHBondContact OD1-CG 3.5Å; N63-E66 PolarHBondContact OD1-N 3.27Å; E66-Q68 VanDerWaalsContact C-N 3.35Å; E66-M69 PolarHBondContact O-N 3.16Å; E66-F70 WeakPolarHBondContact O-CB 3.48Å; E66-F70 PolarHBondContact O-N 2.86Å; E66-L77 HydrophobicContact CB-CD2 4.49Å; E66-H79 IonicContact OE1-CE1 3.62Å; E66-W80 HydrophobicContact CB-CZ2 4.05Å
67L97.8Very high94.4Very high0 Ų052.6 Ų52.60%028%0.279CS..Hα-helixtrans-65.2-38.3175.9-70.3169000112.1L59 A62 N63 L64 Q65 F70 V71 W80 W457 P575 A579L59-L67 HydrophobicContact CD2-CD2 4.32Å; A62-L67 HydrophobicContact CB-CD1 4.5Å; A62-L67 HydrophobicContact CB-CD2 4.05Å; A62-L67 HydrophobicContact CB-CG 3.89Å; N63-L67 WeakPolarHBondContact O-CG 3.43Å; N63-L67 PolarHBondContact O-N 3.4Å; N63-L67 VanDerWaalsContact O-N 3.1Å; L64-L67 PolarHBondContact O-N 3.3Å; Q65-L67 VanDerWaalsContact C-N 3.32Å; Q65-L67 PolarHBondContact O-N 2.85Å; L67-F70 WeakPolarHBondContact O-CB 3.32Å; L67-F70 PolarHBondContact O-N 2.84Å; L67-V71 WeakPolarHBondContact O-CG2 3.24Å; L67-V71 PolarHBondContact O-N 2.81Å; L67-V71 VanDerWaalsContact O-N 3.11Å; L67-W80 HydrophobicContact CD2-CH2 4Å; L67-W457 HydrophobicContact CB-CH2 4.09Å; L67-W457 HydrophobicContact CB-CZ2 4.45Å; L67-P575 HydrophobicContact CD1-CB 3.52Å; L67-A579 HydrophobicContact CB-CB 4.18Å; L67-A579 HydrophobicContact CD2-CB 3.88Å
68Q97.5Very high94.3Very high32 Ų3253 Ų5315%0.1529%0.289CS..Hα-helixtrans-67.8-41.6175.7-74.5170.2-23.200111.3L64 Q65 E66 F70 V71 L72 W457 L458 W460L64-Q68 HydrophobicContact CD1-CG 4.19Å; L64-Q68 HydrophobicContact CG-CG 4.26Å; L64-Q68 WeakPolarHBondContact O-CB 3.42Å; L64-Q68 VanDerWaalsContact O-CG 3.23Å; L64-Q68 WeakPolarHBondContact O-CG 3.47Å; L64-Q68 PolarHBondContact O-N 3.46Å; Q65-Q68 PolarHBondContact O-N 3.33Å; E66-Q68 VanDerWaalsContact C-N 3.35Å; Q68-F70 VanDerWaalsContact C-N 3.34Å; Q68-V71 PolarHBondContact O-N 3.14Å; Q68-L72 VanDerWaalsContact O-CB 3.26Å; Q68-L72 WeakPolarHBondContact O-CB 3.02Å; Q68-L72 PolarHBondContact O-N 3.41Å; Q68-W457 HydrophobicContact CB-CZ3 4.31Å; Q68-W457 HydrophobicContact CG-CE3 4.28Å; Q68-W457 HydrophobicContact CG-CH2 3.84Å; Q68-W457 HydrophobicContact CG-CZ2 4.48Å; Q68-W457 HydrophobicContact CG-CZ3 3.73Å; Q68-W457 PolarHBondContact NE2-O 3.31Å; Q68-L458 HydrophobicContact CB-CD2 3.9Å; Q68-L458 HydrophobicContact CG-CD2 4.15Å; Q68-L458 PolarHBondContact NE2-O 2.8Å; Q68-L458 VanDerWaalsContact NE2-O 3.11Å; Q68-L458 WeakPolarHBondContact O-CD2 3.35Å; Q68-W460 PolarHBondContact NE2-O 2.89Å
69M96.1Very high94.2Very high59 Ų5957.8 Ų57.829%0.29131%0.309SS..Hα-helixtrans-59.4-45.6170.8-72.3173.370.100111Q65 E66 V71 L72 D73 N76 L77Q65-M69 HydrophobicContact CG-SD 4.48Å; Q65-M69 WeakPolarHBondContact O-CG 3.29Å; Q65-M69 PolarHBondContact O-N 3.09Å; E66-M69 PolarHBondContact O-N 3.16Å; M69-V71 VanDerWaalsContact C-N 3.26Å; M69-V71 PolarHBondContact O-N 3.5Å; M69-L72 PolarHBondContact O-N 3.49Å; M69-L72 VanDerWaalsContact O-N 3.15Å; M69-D73 CarbonylContact O-C 3.03Å; M69-D73 WeakPolarHBondContact O-CA 3.45Å; M69-D73 PolarHBondContact O-N 2.95Å; M69-N76 HydrophobicContact CE-CB 3.54Å; M69-L77 HydrophobicContact CB-CD1 4.19Å; M69-L77 HydrophobicContact CB-CG 4.47Å; M69-L77 HydrophobicContact CE-CD2 4.46Å
70F97.4Very high94.3Very high0 Ų058.3 Ų58.30%031%0.311CS..Hα-helixtrans-57-38.5178.1169.2-110.6000113.1E66 L67 Q68 L77 W80 L84 L85 S88 A579 L580 L583E66-F70 WeakPolarHBondContact O-CB 3.48Å; E66-F70 PolarHBondContact O-N 2.86Å; L67-F70 WeakPolarHBondContact O-CB 3.32Å; L67-F70 PolarHBondContact O-N 2.84Å; Q68-F70 VanDerWaalsContact C-N 3.34Å; F70-L77 HydrophobicContact CB-CD1 3.57Å; F70-W80 HydrophobicContact CB-CH2 4.05Å; F70-W80 HydrophobicContact CB-CZ3 3.86Å; F70-W80 HydrophobicContact CD1-CZ3 4.13Å; F70-W80 AromaticContact CD2-CE3 3.86Å; F70-W80 HydrophobicContact CD2-CE3 3.86Å; F70-W80 AromaticContact CD2-CZ3 3.69Å; F70-W80 HydrophobicContact CD2-CZ3 3.69Å; F70-W80 HydrophobicContact CE2-CE3 4.36Å; F70-W80 HydrophobicContact CE2-CZ3 4.27Å; F70-W80 HydrophobicContact CG-CE3 4.24Å; F70-W80 HydrophobicContact CG-CH2 4.24Å; F70-W80 AromaticContact CG-CZ3 3.6Å; F70-W80 HydrophobicContact CG-CZ3 3.6Å; F70-L84 HydrophobicContact CE1-CD1 4.4Å; F70-L84 HydrophobicContact CE2-CD1 3.92Å; F70-L84 HydrophobicContact CE2-CG 3.77Å; F70-L84 WeakPolarHBondContact CE2-O 3.45Å; F70-L84 HydrophobicContact CZ-CD1 3.51Å; F70-L84 HydrophobicContact CZ-CG 3.9Å; F70-L85 HydrophobicContact CD2-CD2 4.28Å; F70-S88 PolarHBondContact O-OG 3.03Å; F70-A579 HydrophobicContact CD1-CB 4.4Å; F70-L580 HydrophobicContact CE1-CD2 3.98Å; F70-L580 HydrophobicContact CZ-CD2 4.1Å; F70-L583 HydrophobicContact CD1-CD1 4.34Å; F70-L583 HydrophobicContact CE1-CD1 3.44Å; F70-L583 VanDerWaalsContact CE1-CD1 3.44Å; F70-L583 HydrophobicContact CE1-CG 4.38Å; F70-L583 HydrophobicContact CE2-CD1 4.42Å; F70-L583 HydrophobicContact CZ-CD1 3.48Å; F70-L583 VanDerWaalsContact CZ-CD1 3.48Å
71V96.6Very high94.4Very high4 Ų456 Ų562%0.02430%0.304CS..Hα-helixtrans-78.5-36.2177.2174.70000112.2L67 Q68 M69 H92 P454 W457 L458 A579 Q582 L583L67-V71 WeakPolarHBondContact O-CG2 3.24Å; L67-V71 PolarHBondContact O-N 2.81Å; L67-V71 VanDerWaalsContact O-N 3.11Å; Q68-V71 PolarHBondContact O-N 3.14Å; M69-V71 VanDerWaalsContact C-N 3.26Å; M69-V71 PolarHBondContact O-N 3.5Å; V71-H92 PolarHBondContact O-CE1 3.34Å; V71-H92 PolarHBondContact O-NE2 3.33Å; V71-P454 HydrophobicContact CG1-CB 4.18Å; V71-W457 HydrophobicContact CB-CZ3 3.82Å; V71-W457 HydrophobicContact CG1-CZ3 4.19Å; V71-W457 HydrophobicContact CG2-CH2 3.92Å; V71-W457 HydrophobicContact CG2-CZ3 3.63Å; V71-L458 HydrophobicContact CB-CD2 4.38Å; V71-L458 HydrophobicContact CG1-CD2 4.39Å; V71-A579 HydrophobicContact CG2-CB 3.85Å; V71-A579 WeakPolarHBondContact CG2-O 3.06Å; V71-Q582 HydrophobicContact CG1-CB 3.81Å; V71-Q582 HydrophobicContact CG2-CB 4.09Å; V71-L583 HydrophobicContact CB-CD2 4.45Å; V71-L583 HydrophobicContact CG1-CD2 4.39Å; V71-L583 HydrophobicContact CG2-CD2 4.49Å; V71-L583 HydrophobicContact CG2-CG 4.34Å
72L93.3Very high94.6Very high116 Ų11658 Ų5861%0.60730%0.304SS*.Hα-helixtrans-81.9-59.5-176.2-178.765.6000112.5Q68 M69 L458Q68-L72 VanDerWaalsContact O-CB 3.26Å; Q68-L72 WeakPolarHBondContact O-CB 3.02Å; Q68-L72 PolarHBondContact O-N 3.41Å; M69-L72 PolarHBondContact O-N 3.49Å; M69-L72 VanDerWaalsContact O-N 3.15Å; L72-L458 HydrophobicContact CB-CD1 4.49Å; L72-L458 HydrophobicContact CB-CD2 4.13Å; L72-L458 HydrophobicContact CD1-CD1 4.05Å
73D90.8Very high94.6Very high86 Ų8661.7 Ų61.746%0.4632%0.321SS..  trans-153.8107.3177.2179.511.4000110.5M69 S75M69-D73 CarbonylContact O-C 3.03Å; M69-D73 WeakPolarHBondContact O-CA 3.45Å; M69-D73 PolarHBondContact O-N 2.95Å; D73-S75 PolarHBondContact O-N 3.23Å; D73-S75 VanDerWaalsContact OD1-CB 3.27Å; D73-S75 WeakPolarHBondContact OD1-CB 3.44Å; D73-S75 PolarHBondContact OD1-N 2.79Å; D73-S75 PolarHBondContact OD1-OG 3.38Å; D73-S75 PolarHBondContact OD2-OG 2.86Å
74P90.7Very high94.8Very high8 Ų858.1 Ų58.15%0.05230%0.302CS..G310 helixtrans-73.4-0-178.528.8-34.2000114.9N76 L77 L85 M89P74-N76 PolarHBondContact O-N 3.39Å; P74-N76 VanDerWaalsContact O-N 3.13Å; P74-L77 PolarHBondContact O-N 3.21Å; P74-L85 HydrophobicContact CB-CD2 3.86Å; P74-M89 HydrophobicContact CG-CG 3.86Å
75S90.9Very high95Very high71 Ų7158.6 Ų58.650%0.49730%0.304SS..G310 helixtrans-53.5-35.2-173.560.90000114.5D73D73-S75 PolarHBondContact O-N 3.23Å; D73-S75 VanDerWaalsContact OD1-CB 3.27Å; D73-S75 WeakPolarHBondContact OD1-CB 3.44Å; D73-S75 PolarHBondContact OD1-N 2.79Å; D73-S75 PolarHBondContact OD1-OG 3.38Å; D73-S75 PolarHBondContact OD2-OG 2.86Å
76N91Very high95.1Very high118 Ų11854.2 Ų54.263%0.63129%0.285SS*.G310 helixtrans-903.9-178.8-69.1-36000114.4M69 P74M69-N76 HydrophobicContact CE-CB 3.54Å; P74-N76 PolarHBondContact O-N 3.39Å; P74-N76 VanDerWaalsContact O-N 3.13Å
77L93.7Very high95.1Very high4 Ų452 Ų522%0.02128%0.275CS..  trans-104.237.4-178.1-63.5175.7000112.1E66 M69 F70 P74 H79 W80 L85E66-L77 HydrophobicContact CB-CD2 4.49Å; M69-L77 HydrophobicContact CB-CD1 4.19Å; M69-L77 HydrophobicContact CB-CG 4.47Å; M69-L77 HydrophobicContact CE-CD2 4.46Å; F70-L77 HydrophobicContact CB-CD1 3.57Å; P74-L77 PolarHBondContact O-N 3.21Å; L77-H79 PolarHBondContact O-N 2.92Å; L77-W80 HydrophobicContact CB-CB 4.48Å; L77-W80 HydrophobicContact CB-CD2 4.36Å; L77-W80 HydrophobicContact CB-CG 4.03Å; L77-W80 HydrophobicContact CD1-CD2 4.24Å; L77-W80 HydrophobicContact CD1-CE3 4.49Å; L77-W80 HydrophobicContact CD1-CZ2 4.37Å; L77-W80 VanDerWaalsContact O-CB 3.3Å; L77-W80 WeakPolarHBondContact O-CB 3.45Å; L77-W80 PolarHBondContact O-N 3.24Å; L77-L85 HydrophobicContact CB-CD2 3.98Å; L77-L85 WeakPolarHBondContact O-CD1 3.38Å
78S91.2Very high95.1Very high108 Ų10852 Ų5276%0.75528%0.275SS*.THydrogen-bonded Turntrans-59.5-15.6-173.764.60000115.1W80S78-W80 VanDerWaalsContact C-N 3.32Å
79H93.5Very high95.1Very high129 Ų12954.6 Ų54.660%0.59729%0.288SS*.THydrogen-bonded Turntrans-80.6-10174.261.492.8000113.7E66 L77E66-H79 IonicContact OE1-CE1 3.62Å; L77-H79 PolarHBondContact O-N 2.92Å
80W97.4Very high95.2Very high12 Ų1255.2 Ų55.25%0.04529%0.289CS..SBendtrans-79.4158.2175.9-73.740.5000111V58 L59 A62 E66 L67 F70 L77 S78 Y82 L84 L85V58-W80 HydrophobicContact CG1-CD2 3.24Å; V58-W80 HydrophobicContact CG1-CE3 3.44Å; V58-W80 VanDerWaalsContact CG1-CE3 3.44Å; V58-W80 HydrophobicContact CG1-CG 3.83Å; V58-W80 HydrophobicContact CG1-CH2 3.66Å; V58-W80 HydrophobicContact CG1-CZ2 3.5Å; V58-W80 HydrophobicContact CG1-CZ3 3.64Å; L59-W80 HydrophobicContact CD2-CZ3 4.47Å; A62-W80 HydrophobicContact CB-CH2 3.87Å; A62-W80 HydrophobicContact CB-CZ2 3.61Å; E66-W80 HydrophobicContact CB-CZ2 4.05Å; L67-W80 HydrophobicContact CD2-CH2 4Å; F70-W80 HydrophobicContact CB-CH2 4.05Å; F70-W80 HydrophobicContact CB-CZ3 3.86Å; F70-W80 HydrophobicContact CD1-CZ3 4.13Å; F70-W80 AromaticContact CD2-CE3 3.86Å; F70-W80 HydrophobicContact CD2-CE3 3.86Å; F70-W80 AromaticContact CD2-CZ3 3.69Å; F70-W80 HydrophobicContact CD2-CZ3 3.69Å; F70-W80 HydrophobicContact CE2-CE3 4.36Å; F70-W80 HydrophobicContact CE2-CZ3 4.27Å; F70-W80 HydrophobicContact CG-CE3 4.24Å; F70-W80 HydrophobicContact CG-CH2 4.24Å; F70-W80 AromaticContact CG-CZ3 3.6Å; F70-W80 HydrophobicContact CG-CZ3 3.6Å; L77-W80 HydrophobicContact CB-CB 4.48Å; L77-W80 HydrophobicContact CB-CD2 4.36Å; L77-W80 HydrophobicContact CB-CG 4.03Å; L77-W80 HydrophobicContact CD1-CD2 4.24Å; L77-W80 HydrophobicContact CD1-CE3 4.49Å; L77-W80 HydrophobicContact CD1-CZ2 4.37Å; L77-W80 VanDerWaalsContact O-CB 3.3Å; L77-W80 WeakPolarHBondContact O-CB 3.45Å; L77-W80 PolarHBondContact O-N 3.24Å; S78-W80 VanDerWaalsContact C-N 3.32Å; W80-Y82 PolarHBondContact O-N 3.27Å; W80-L84 HydrophobicContact CE3-CD2 3.58Å; W80-L84 HydrophobicContact CE3-CG 4.19Å; W80-L84 HydrophobicContact CZ3-CD2 3.88Å; W80-L85 HydrophobicContact CB-CD1 4.21Å; W80-L85 HydrophobicContact CB-CD2 3.66Å; W80-L85 HydrophobicContact CB-CG 3.95Å; W80-L85 HydrophobicContact CD2-CD2 4.5Å; W80-L85 HydrophobicContact CE3-CD2 4.35Å; W80-L85 HydrophobicContact CG-CD2 4.25Å
81P97.5Very high95.2Very high29 Ų2955.2 Ų55.219%0.18829%0.289CS..  trans-54.6129.7175-25.131.2000111.9S54 V58 D83 L84 L85S54-P81 WeakPolarHBondContact O-CG 3.35Å; V58-P81 HydrophobicContact CG2-CG 4.09Å; P81-D83 VanDerWaalsContact C-N 3.3Å; P81-D83 PolarHBondContact O-N 3.45Å; P81-L84 HydrophobicContact CB-CB 4.23Å; P81-L84 WeakPolarHBondContact O-CB 3.27Å; P81-L84 PolarHBondContact O-N 2.86Å; P81-L85 PolarHBondContact O-N 2.88Å; P81-L85 VanDerWaalsContact O-N 3.15Å
82Y96.4Very high95.1Very high163 Ų16358.6 Ų58.664%0.63931%0.305SS*.Hα-helixtrans-51.9-46.5-178.6174-98.6000112.9W80 L84 L85 N86W80-Y82 PolarHBondContact O-N 3.27Å; Y82-L84 VanDerWaalsContact C-N 3.27Å; Y82-L84 PolarHBondContact O-N 3.25Å; Y82-L85 PolarHBondContact O-N 3.48Å; Y82-N86 HydrophobicContact CE1-CB 4.47Å; Y82-N86 WeakPolarHBondContact O-CB 3.33Å; Y82-N86 PolarHBondContact O-N 2.79Å
83D96.2Very high95.2Very high93 Ų9357.4 Ų57.450%0.49730%0.296SS..Hα-helixtrans-65.2-30.2-178.1-61.6-37.9000113W55 P81 L87W55-D83 HydrophobicContact CZ2-CB 4.45Å; P81-D83 VanDerWaalsContact C-N 3.3Å; P81-D83 PolarHBondContact O-N 3.45Å; D83-L87 PolarHBondContact O-N 3.07Å
84L97.7Very high95.6Very high0 Ų054.1 Ų54.10%028%0.278CS..Hα-helixtrans-71-43.5174.9-179.456000110.8W55 V58 L59 F70 W80 P81 Y82 N86 L87 S88 L580W55-L84 HydrophobicContact CB-CD2 4.36Å; W55-L84 HydrophobicContact CD2-CB 4.14Å; W55-L84 HydrophobicContact CD2-CD1 3.77Å; W55-L84 HydrophobicContact CD2-CG 4.38Å; W55-L84 HydrophobicContact CE3-CD1 3.78Å; W55-L84 HydrophobicContact CG-CB 4.18Å; W55-L84 HydrophobicContact CG-CD1 4.26Å; W55-L84 HydrophobicContact CG-CD2 4.23Å; W55-L84 HydrophobicContact CG-CG 4.46Å; W55-L84 HydrophobicContact CH2-CD1 4.32Å; W55-L84 HydrophobicContact CZ2-CB 4.29Å; W55-L84 HydrophobicContact CZ2-CD1 4.33Å; W55-L84 HydrophobicContact CZ3-CD1 4.06Å; V58-L84 HydrophobicContact CG1-CD2 4.37Å; L59-L84 HydrophobicContact CD2-CD2 4.35Å; L59-L84 HydrophobicContact CG-CD2 4.49Å; F70-L84 HydrophobicContact CE1-CD1 4.4Å; F70-L84 HydrophobicContact CE2-CD1 3.92Å; F70-L84 HydrophobicContact CE2-CG 3.77Å; F70-L84 WeakPolarHBondContact CE2-O 3.45Å; F70-L84 HydrophobicContact CZ-CD1 3.51Å; F70-L84 HydrophobicContact CZ-CG 3.9Å; W80-L84 HydrophobicContact CE3-CD2 3.58Å; W80-L84 HydrophobicContact CE3-CG 4.19Å; W80-L84 HydrophobicContact CZ3-CD2 3.88Å; P81-L84 HydrophobicContact CB-CB 4.23Å; P81-L84 WeakPolarHBondContact O-CB 3.27Å; P81-L84 PolarHBondContact O-N 2.86Å; Y82-L84 VanDerWaalsContact C-N 3.27Å; Y82-L84 PolarHBondContact O-N 3.25Å; L84-N86 VanDerWaalsContact C-N 3.31Å; L84-N86 PolarHBondContact O-N 2.82Å; L84-L87 HydrophobicContact CD1-CD2 4.34Å; L84-L87 WeakPolarHBondContact O-CB 3.29Å; L84-L87 PolarHBondContact O-N 2.92Å; L84-S88 PolarHBondContact O-N 3.36Å; L84-L580 HydrophobicContact CD1-CD2 3.9Å
85L97.7Very high95.8Very high19 Ų1954.6 Ų54.610%0.09928%0.281CS..Hα-helixtrans-63.9-40.1174.7-58.7-177.4000111.2F70 P74 L77 W80 P81 Y82 L87 S88 M89F70-L85 HydrophobicContact CD2-CD2 4.28Å; P74-L85 HydrophobicContact CB-CD2 3.86Å; L77-L85 HydrophobicContact CB-CD2 3.98Å; L77-L85 WeakPolarHBondContact O-CD1 3.38Å; W80-L85 HydrophobicContact CB-CD1 4.21Å; W80-L85 HydrophobicContact CB-CD2 3.66Å; W80-L85 HydrophobicContact CB-CG 3.95Å; W80-L85 HydrophobicContact CD2-CD2 4.5Å; W80-L85 HydrophobicContact CE3-CD2 4.35Å; W80-L85 HydrophobicContact CG-CD2 4.25Å; P81-L85 PolarHBondContact O-N 2.88Å; P81-L85 VanDerWaalsContact O-N 3.15Å; Y82-L85 PolarHBondContact O-N 3.48Å; L85-L87 VanDerWaalsContact C-N 3.33Å; L85-L87 PolarHBondContact O-N 3Å; L85-S88 WeakPolarHBondContact O-CB 3.44Å; L85-S88 PolarHBondContact O-N 3.02Å; L85-M89 WeakPolarHBondContact O-CG 3.31Å; L85-M89 PolarHBondContact O-N 2.98Å
86N96.7Very high95.9Very high39 Ų3957.9 Ų57.921%0.20928%0.282CS..Hα-helixtrans-62.6-37.2175.9-173.149.5000112.4Y82 L84 M89 K90Y82-N86 HydrophobicContact CE1-CB 4.47Å; Y82-N86 WeakPolarHBondContact O-CB 3.33Å; Y82-N86 PolarHBondContact O-N 2.79Å; L84-N86 VanDerWaalsContact C-N 3.31Å; L84-N86 PolarHBondContact O-N 2.82Å; N86-M89 HydrophobicContact CB-CE 4.28Å; N86-M89 PolarHBondContact O-N 3.04Å; N86-K90 WeakPolarHBondContact O-CB 3.33Å; N86-K90 WeakPolarHBondContact O-CG 3.42Å; N86-K90 PolarHBondContact O-N 3.27Å
87L97.7Very high96Very high1 Ų154.2 Ų54.21%0.00526%0.262CS..Hα-helixtrans-56.3-49.7171.217984.2000111.3F16 Y20 I23 W55 D83 L84 L85 K90 C91 L580 L583 F584F16-L87 HydrophobicContact CE2-CD1 3.77Å; F16-L87 HydrophobicContact CZ-CD1 3.55Å; F16-L87 HydrophobicContact CZ-CG 4.35Å; Y20-L87 HydrophobicContact CD1-CD1 3.57Å; Y20-L87 HydrophobicContact CD2-CD1 3.59Å; Y20-L87 HydrophobicContact CE1-CD1 3.63Å; Y20-L87 HydrophobicContact CE2-CD1 3.68Å; Y20-L87 HydrophobicContact CG-CD1 3.56Å; I23-L87 HydrophobicContact CD1-CD1 4.46Å; I23-L87 HydrophobicContact CD1-CD2 3.95Å; W55-L87 HydrophobicContact CH2-CB 4.23Å; W55-L87 HydrophobicContact CH2-CD1 4.35Å; W55-L87 HydrophobicContact CH2-CD2 3.8Å; W55-L87 HydrophobicContact CH2-CG 4.36Å; W55-L87 HydrophobicContact CZ3-CD2 3.9Å; D83-L87 PolarHBondContact O-N 3.07Å; L84-L87 HydrophobicContact CD1-CD2 4.34Å; L84-L87 WeakPolarHBondContact O-CB 3.29Å; L84-L87 PolarHBondContact O-N 2.92Å; L85-L87 VanDerWaalsContact C-N 3.33Å; L85-L87 PolarHBondContact O-N 3Å; L87-K90 PolarHBondContact O-N 3.11Å; L87-C91 PolarHBondContact O-N 3.47Å; L87-C91 PolarHBondContact O-SG 3.37Å; L87-L580 HydrophobicContact CD2-CD2 3.65Å; L87-L583 HydrophobicContact CD2-CD1 4.45Å; L87-F584 HydrophobicContact CD1-CE2 4.19Å; L87-F584 HydrophobicContact CD1-CZ 4.13Å; L87-F584 HydrophobicContact CD2-CE2 4.47Å
88S98Very high96Very high0 Ų054.1 Ų54.10%026%0.262CS..Hα-helixtrans-60-50.1178.5174.80000111.3F70 L84 L85 K90 C91 H92 L583F70-S88 PolarHBondContact O-OG 3.03Å; L84-S88 PolarHBondContact O-N 3.36Å; L85-S88 WeakPolarHBondContact O-CB 3.44Å; L85-S88 PolarHBondContact O-N 3.02Å; S88-K90 VanDerWaalsContact C-N 3.34Å; S88-K90 PolarHBondContact O-N 2.98Å; S88-C91 PolarHBondContact O-N 3.07Å; S88-H92 PolarHBondContact O-CD2 3.43Å; S88-H92 PolarHBondContact O-N 3.36Å; S88-H92 VanDerWaalsContact O-N 3.1Å; S88-L583 WeakPolarHBondContact OG-CD2 3.49Å
89M97Very high96Very high87 Ų8749.5 Ų49.543%0.42923%0.23SC..Hα-helixtrans-58.9-42.7178.1-68.2-173.4-67.400112.5P74 L85 N86 H92 Q93P74-M89 HydrophobicContact CG-CG 3.86Å; L85-M89 WeakPolarHBondContact O-CG 3.31Å; L85-M89 PolarHBondContact O-N 2.98Å; N86-M89 HydrophobicContact CB-CE 4.28Å; N86-M89 PolarHBondContact O-N 3.04Å; M89-H92 PolarHBondContact O-N 3.14Å; M89-Q93 VanDerWaalsContact O-CB 3.32Å; M89-Q93 WeakPolarHBondContact O-CB 3.28Å; M89-Q93 PolarHBondContact O-N 2.96Å
90K97.7Very high95.8Very high72 Ų7245.3 Ų45.331%0.31321%0.21SC..Hα-helixtrans-65.3-41.8176.6-79.3-171.4175.2-175.20112.4F16 N86 L87 S88 H92 Q93 F94F16-K90 HydrophobicContact CD2-CB 4.32Å; F16-K90 HydrophobicContact CD2-CD 3.92Å; F16-K90 HydrophobicContact CE2-CB 3.73Å; F16-K90 HydrophobicContact CE2-CD 3.87Å; F16-K90 HydrophobicContact CE2-CG 4.46Å; F16-K90 HydrophobicContact CZ-CB 3.95Å; N86-K90 WeakPolarHBondContact O-CB 3.33Å; N86-K90 WeakPolarHBondContact O-CG 3.42Å; N86-K90 PolarHBondContact O-N 3.27Å; L87-K90 PolarHBondContact O-N 3.11Å; S88-K90 VanDerWaalsContact C-N 3.34Å; S88-K90 PolarHBondContact O-N 2.98Å; K90-H92 VanDerWaalsContact C-N 3.32Å; K90-H92 PolarHBondContact O-N 3.29Å; K90-Q93 PolarHBondContact O-N 3.27Å; K90-F94 HydrophobicContact CB-CD2 4.22Å; K90-F94 HydrophobicContact CB-CE2 4.09Å; K90-F94 HydrophobicContact CD-CE2 4.39Å; K90-F94 HydrophobicContact CG-CE2 4.47Å; K90-F94 WeakPolarHBondContact O-CB 3.44Å; K90-F94 WeakPolarHBondContact O-CD2 3.36Å; K90-F94 WeakPolarHBondContact O-CG 3.39Å; K90-F94 PolarHBondContact O-N 3.46Å
91C97.6Very high95.5Very high1 Ų146.1 Ų46.11%0.00721%0.213CC..Hα-helixtrans-57-47.2175.7-70.50000111.2F16 L87 S88 T95 L583F16-C91 VanDerWaalsContact CZ-SG 3.6Å; L87-C91 PolarHBondContact O-N 3.47Å; L87-C91 PolarHBondContact O-SG 3.37Å; S88-C91 PolarHBondContact O-N 3.07Å; C91-T95 VanDerWaalsContact O-CB 3.3Å; C91-T95 WeakPolarHBondContact O-CB 3.42Å; C91-T95 PolarHBondContact O-N 3.49Å; C91-T95 PolarHBondContact O-OG1 3.4Å; C91-L583 HydrophobicContact CB-CB 4.04Å
92H95Very high95.2Very high74 Ų7444.9 Ų44.934%0.34321%0.205SC..Hα-helixtrans-63-47.7176.1-74.1-55.6000112.5V71 S88 M89 K90 T95 R96V71-H92 PolarHBondContact O-CE1 3.34Å; V71-H92 PolarHBondContact O-NE2 3.33Å; S88-H92 PolarHBondContact O-CD2 3.43Å; S88-H92 PolarHBondContact O-N 3.36Å; S88-H92 VanDerWaalsContact O-N 3.1Å; M89-H92 PolarHBondContact O-N 3.14Å; K90-H92 VanDerWaalsContact C-N 3.32Å; K90-H92 PolarHBondContact O-N 3.29Å; H92-T95 PolarHBondContact O-N 3.39Å; H92-R96 VanDerWaalsContact O-CB 3.25Å; H92-R96 WeakPolarHBondContact O-CB 3.18Å; H92-R96 PolarHBondContact O-N 2.96Å
93Q95.5Very high94.9Very high92 Ų9237.2 Ų37.243%0.4318%0.176SC..Hα-helixtrans-59.1-50.7179.9179.8179.81.500111.4M89 K90 R96 L97M89-Q93 VanDerWaalsContact O-CB 3.32Å; M89-Q93 WeakPolarHBondContact O-CB 3.28Å; M89-Q93 PolarHBondContact O-N 2.96Å; K90-Q93 PolarHBondContact O-N 3.27Å; Q93-R96 PolarHBondContact O-N 3.31Å; Q93-L97 HydrophobicContact CG-CD1 3.75Å; Q93-L97 HydrophobicContact CG-CG 4.35Å; Q93-L97 WeakPolarHBondContact O-CB 3.25Å; Q93-L97 VanDerWaalsContact O-CG 3.27Å; Q93-L97 WeakPolarHBondContact O-CG 3.5Å; Q93-L97 PolarHBondContact O-N 3.19Å
94F97.6Very high94.2Very high16 Ų1633.8 Ų33.87%0.0716%0.157CC..Hα-helixtrans-64.5-42.8-179.9-74.2-51.9000112.2L9 D12 L13 F16 K90 R96 L97 L98 L587L9-F94 HydrophobicContact CD1-CD1 3.86Å; L9-F94 HydrophobicContact CD1-CE1 4.24Å; D12-F94 HydrophobicContact CB-CE1 4.07Å; D12-F94 HydrophobicContact CB-CZ 4.18Å; L13-F94 HydrophobicContact CB-CD1 3.92Å; L13-F94 HydrophobicContact CB-CE1 4.08Å; L13-F94 HydrophobicContact CB-CG 4.36Å; L13-F94 HydrophobicContact CD1-CB 3.88Å; L13-F94 HydrophobicContact CD1-CD1 4.3Å; L13-F94 HydrophobicContact CD1-CD2 4.15Å; L13-F94 HydrophobicContact CD1-CG 3.88Å; F16-F94 HydrophobicContact CB-CD2 4.38Å; F16-F94 HydrophobicContact CB-CE2 3.63Å; F16-F94 HydrophobicContact CB-CZ 4.21Å; F16-F94 AromaticContact CD1-CD2 3.85Å; F16-F94 HydrophobicContact CD1-CD2 3.85Å; F16-F94 AromaticContact CD1-CE2 3.85Å; F16-F94 HydrophobicContact CD1-CE2 3.85Å; F16-F94 HydrophobicContact CD2-CE2 4.03Å; F16-F94 HydrophobicContact CE1-CD2 4.28Å; F16-F94 HydrophobicContact CG-CD2 4.07Å; F16-F94 AromaticContact CG-CE2 3.57Å; F16-F94 HydrophobicContact CG-CE2 3.57Å; K90-F94 HydrophobicContact CB-CD2 4.22Å; K90-F94 HydrophobicContact CB-CE2 4.09Å; K90-F94 HydrophobicContact CD-CE2 4.39Å; K90-F94 HydrophobicContact CG-CE2 4.47Å; K90-F94 WeakPolarHBondContact O-CB 3.44Å; K90-F94 WeakPolarHBondContact O-CD2 3.36Å; K90-F94 WeakPolarHBondContact O-CG 3.39Å; K90-F94 PolarHBondContact O-N 3.46Å; F94-R96 VanDerWaalsContact C-N 3.31Å; F94-R96 PolarHBondContact O-N 3.43Å; F94-L97 PolarHBondContact O-N 3.27Å; F94-L98 VanDerWaalsContact O-CB 3.27Å; F94-L98 WeakPolarHBondContact O-CB 3.36Å; F94-L98 PolarHBondContact O-N 3.2Å; F94-L587 HydrophobicContact CB-CD1 3.71Å; F94-L587 HydrophobicContact CB-CD2 4.34Å
95T95Very high92.7Very high19 Ų1939 Ų3912%0.11718%0.181CC..Hα-helixtrans-57.5-48.1176-59.70000110.1C91 H92 S99 P586 L587C91-T95 VanDerWaalsContact O-CB 3.3Å; C91-T95 WeakPolarHBondContact O-CB 3.42Å; C91-T95 PolarHBondContact O-N 3.49Å; C91-T95 PolarHBondContact O-OG1 3.4Å; H92-T95 PolarHBondContact O-N 3.39Å; T95-S99 VanDerWaalsContact O-CB 3.22Å; T95-S99 WeakPolarHBondContact O-CB 3.34Å; T95-S99 PolarHBondContact O-N 3.47Å; T95-S99 PolarHBondContact O-OG 3.07Å; T95-P586 HydrophobicContact CG2-CB 4Å; T95-L587 WeakPolarHBondContact OG1-CA 3.47Å; T95-L587 WeakPolarHBondContact OG1-CB 3.2Å; T95-L587 PolarHBondContact OG1-N 3.34Å
96R92.9Very high90.7Very high140 Ų14040.1 Ų40.153%0.52819%0.191SC..Hα-helixtrans-63-48.4-179.6-171.3-179.763.3-168.5-3.2112.2H92 Q93 F94 S99 Q100 M120H92-R96 VanDerWaalsContact O-CB 3.25Å; H92-R96 WeakPolarHBondContact O-CB 3.18Å; H92-R96 PolarHBondContact O-N 2.96Å; Q93-R96 PolarHBondContact O-N 3.31Å; F94-R96 VanDerWaalsContact C-N 3.31Å; F94-R96 PolarHBondContact O-N 3.43Å; R96-S99 PolarHBondContact O-N 3.26Å; R96-Q100 PolarHBondContact O-N 3.13Å; R96-M120 HydrophobicContact CG-CB 4.25Å; R96-M120 HydrophobicContact CG-CG 3.72Å
97L93.3Very high88.6Confident41 Ų4146.9 Ų46.922%0.21523%0.227CC..Hα-helixtrans-65.6-43.8-178.6-70.8174.5000111.2L9 Q93 F94 Q100 Y101L9-L97 HydrophobicContact CD1-CB 3.82Å; L9-L97 HydrophobicContact CD1-CD1 3.79Å; L9-L97 HydrophobicContact CD1-CG 4.47Å; L9-L97 HydrophobicContact CD2-CB 3.81Å; L9-L97 HydrophobicContact CG-CB 4.5Å; Q93-L97 HydrophobicContact CG-CD1 3.75Å; Q93-L97 HydrophobicContact CG-CG 4.35Å; Q93-L97 WeakPolarHBondContact O-CB 3.25Å; Q93-L97 VanDerWaalsContact O-CG 3.27Å; Q93-L97 WeakPolarHBondContact O-CG 3.5Å; Q93-L97 PolarHBondContact O-N 3.19Å; F94-L97 PolarHBondContact O-N 3.27Å; L97-Q100 WeakPolarHBondContact O-CB 3.29Å; L97-Q100 PolarHBondContact O-N 3.14Å; L97-Y101 VanDerWaalsContact O-CD2 3.3Å; L97-Y101 WeakPolarHBondContact O-CD2 3.39Å
98L93.9Very high86.7Confident1 Ų153.8 Ų53.81%0.00526%0.257CS..Hα-helixtrans-68.4-35.3177.8-16964.3000112.1I10 L13 F94 Q100 Y101 I102 T590 I591 F594I10-L98 HydrophobicContact CD1-CD1 3.57Å; L13-L98 HydrophobicContact CD2-CD2 3.81Å; F94-L98 VanDerWaalsContact O-CB 3.27Å; F94-L98 WeakPolarHBondContact O-CB 3.36Å; F94-L98 PolarHBondContact O-N 3.2Å; L98-Q100 PolarHBondContact O-N 3.31Å; L98-Y101 PolarHBondContact O-N 2.82Å; L98-I102 PolarHBondContact O-N 3.35Å; L98-T590 HydrophobicContact CB-CG2 3.84Å; L98-T590 HydrophobicContact CD2-CG2 3.7Å; L98-T590 HydrophobicContact CG-CG2 3.69Å; L98-I591 HydrophobicContact CD2-CG1 3.88Å; L98-F594 HydrophobicContact CD1-CB 4.25Å; L98-F594 HydrophobicContact CD1-CD2 3.45Å; L98-F594 VanDerWaalsContact CD1-CD2 3.45Å; L98-F594 HydrophobicContact CD1-CE2 3.85Å; L98-F594 HydrophobicContact CD1-CG 3.84Å; L98-F594 HydrophobicContact CD2-CB 4.24Å; L98-F594 HydrophobicContact CG-CB 4.31Å; L98-F594 HydrophobicContact CG-CD2 4.27Å; L98-F594 HydrophobicContact CG-CG 4.43Å
99S92.3Very high85Confident12 Ų1260.6 Ų60.68%0.08429%0.288CS..Hα-helixtrans-58.7-30.8176.3-670000112.8T95 R96 Y101 I102 S103T95-S99 VanDerWaalsContact O-CB 3.22Å; T95-S99 WeakPolarHBondContact O-CB 3.34Å; T95-S99 PolarHBondContact O-N 3.47Å; T95-S99 PolarHBondContact O-OG 3.07Å; R96-S99 PolarHBondContact O-N 3.26Å; S99-Y101 VanDerWaalsContact C-N 3.33Å; S99-Y101 PolarHBondContact O-N 3.13Å; S99-I102 WeakPolarHBondContact O-CG1 3.35Å; S99-I102 PolarHBondContact O-N 2.73Å; S99-S103 PolarHBondContact O-N 3.1Å; S99-S103 PolarHBondContact O-OG 2.77Å
100Q89.3Confident83.8Confident41 Ų4156.9 Ų56.919%0.19227%0.27CS..Hα-helixtrans-62.6-40.8173.5-64.9174.78.900110.8R96 L97 L98 I102 S103 H105 M120R96-Q100 PolarHBondContact O-N 3.13Å; L97-Q100 WeakPolarHBondContact O-CB 3.29Å; L97-Q100 PolarHBondContact O-N 3.14Å; L98-Q100 PolarHBondContact O-N 3.31Å; Q100-I102 VanDerWaalsContact C-N 3.27Å; Q100-I102 PolarHBondContact O-N 2.94Å; Q100-S103 PolarHBondContact O-N 3.25Å; Q100-H105 PolarHBondContact O-CD2 2.89Å; Q100-H105 PolarHBondContact O-NE2 2.88Å; Q100-M120 HydrophobicContact CG-SD 3.95Å; Q100-M120 PolarHBondContact NE2-SD 2.87Å; Q100-M120 VanDerWaalsContact NE2-SD 3.42Å
101Y90.3Very high82.5Confident28 Ų2857.5 Ų57.511%0.1128%0.279CS..Hα-helixtrans-72.5-19.9-177.4-71.6-83.6000114.5M1 S5 L6 L9 L97 L98 S99 W598 R601M1-Y101 HydrophobicContact CB-CE1 4.06Å; M1-Y101 WeakPolarHBondContact CB-OH 2.95Å; M1-Y101 HydrophobicContact SD-CE2 4.04Å; M1-Y101 PolarHBondContact SD-OH 3.18Å; S5-Y101 PolarHBondContact OG-OH 3.43Å; L6-Y101 HydrophobicContact CB-CE1 3.81Å; L6-Y101 HydrophobicContact CD1-CD1 3.78Å; L6-Y101 HydrophobicContact CD1-CD2 3.89Å; L6-Y101 HydrophobicContact CD1-CE1 3.76Å; L6-Y101 HydrophobicContact CD1-CE2 3.9Å; L6-Y101 HydrophobicContact CD1-CG 3.82Å; L6-Y101 HydrophobicContact CD2-CD1 4.25Å; L6-Y101 HydrophobicContact CD2-CE1 4.25Å; L6-Y101 HydrophobicContact CG-CD1 4.41Å; L6-Y101 HydrophobicContact CG-CE1 4.14Å; L9-Y101 HydrophobicContact CD2-CD2 3.96Å; L9-Y101 HydrophobicContact CD2-CE2 3.52Å; L97-Y101 VanDerWaalsContact O-CD2 3.3Å; L97-Y101 WeakPolarHBondContact O-CD2 3.39Å; L98-Y101 PolarHBondContact O-N 2.82Å; S99-Y101 VanDerWaalsContact C-N 3.33Å; S99-Y101 PolarHBondContact O-N 3.13Å; Y101-W598 HydrophobicContact CD1-CH2 4.12Å; Y101-W598 HydrophobicContact CG-CH2 4.47Å; Y101-R601 PolarHBondContact O-NH1 3.13Å
102I92.2Very high81.5Confident3 Ų358.3 Ų58.32%0.01529%0.288CS..Hα-helixtrans-97.9-9.9179.671.1168.6000113.9L98 S99 Q100 T590 L593 F594 L597 G620 Y621L98-I102 PolarHBondContact O-N 3.35Å; S99-I102 WeakPolarHBondContact O-CG1 3.35Å; S99-I102 PolarHBondContact O-N 2.73Å; Q100-I102 VanDerWaalsContact C-N 3.27Å; Q100-I102 PolarHBondContact O-N 2.94Å; I102-T590 HydrophobicContact CD1-CG2 3.87Å; I102-L593 HydrophobicContact CD1-CB 3.82Å; I102-L593 HydrophobicContact CD1-CD1 3.86Å; I102-F594 VanDerWaalsContact CG2-CA 3.49Å; I102-F594 HydrophobicContact CG2-CB 3.69Å; I102-F594 HydrophobicContact CG2-CD2 3.94Å; I102-F594 HydrophobicContact CG2-CG 4.31Å; I102-L597 HydrophobicContact CB-CD2 4.14Å; I102-L597 HydrophobicContact CG2-CD2 4.39Å; I102-G620 CarbonylContact O-C 3.56Å; I102-G620 VanDerWaalsContact O-CA 3.27Å; I102-G620 WeakPolarHBondContact O-CA 3.36Å; I102-Y621 HydrophobicContact CB-CD2 3.95Å; I102-Y621 HydrophobicContact CD1-CD2 4.28Å; I102-Y621 HydrophobicContact CG1-CD2 4.46Å; I102-Y621 PolarHBondContact O-N 3.46Å
103S89.1Confident81Confident3 Ų355 Ų552%0.02127%0.273CS..BIsolated β-bridgetrans-70155.6175.8-70.50000111.5S99 Q100 H105 M120S99-S103 PolarHBondContact O-N 3.1Å; S99-S103 PolarHBondContact O-OG 2.77Å; Q100-S103 PolarHBondContact O-N 3.25Å; S103-H105 PolarHBondContact O-CD2 3.36Å; S103-H105 PolarHBondContact O-N 3.02Å; S103-M120 PolarHBondContact OG-O 2.56Å
104I82Confident80.5Confident20 Ų2054.3 Ų54.310%0.10327%0.267CS..  trans-73.197174.6-60.4-179.2000108.4T122 Y618 I622 L637I104-T122 HydrophobicContact CB-CG2 4.45Å; I104-T122 PolarHBondContact N-OG1 3.24Å; I104-Y618 HydrophobicContact CG2-CD1 4.32Å; I104-I622 HydrophobicContact CD1-CD1 3.65Å; I104-I622 HydrophobicContact CD1-CG1 3.43Å; I104-I622 VanDerWaalsContact CD1-CG1 3.43Å; I104-I622 HydrophobicContact CG1-CG1 4.37Å; I104-L637 HydrophobicContact CD1-CB 4.18Å; I104-L637 HydrophobicContact CD1-CD2 3.98Å
105H67.1Low79.9Confident110 Ų11057.7 Ų57.751%0.50928%0.282SS..  trans-92.9103.1170.3-71-64.6000109.1Q100 S103Q100-H105 PolarHBondContact O-CD2 2.89Å; Q100-H105 PolarHBondContact O-NE2 2.88Å; S103-H105 PolarHBondContact O-CD2 3.36Å; S103-H105 PolarHBondContact O-N 3.02Å
106S55.6Low79.3Confident43 Ų4358.3 Ų58.330%0.30129%0.285SS..  trans-142.3147.6159.2104.50000110.3K108 Y618S106-K108 PolarHBondContact O-N 2.7Å; S106-K108 WeakPolarHBondContact OG-CA 3.3Å; S106-K108 PolarHBondContact OG-N 3.32Å; S106-K108 PolarHBondContact OG-O 3.47Å; S106-Y618 WeakPolarHBondContact OG-CE1 3.35Å
107N52.4Low78.7Confident181 Ų18155.7 Ų55.797%0.96829%0.288SS*.SBendtrans-59.1-12172.2-68-7.9000112.3
108K56.7Low78Confident146 Ų14658.8 Ų58.864%0.63531%0.313SS*.SBendtrans-104.799173.1-59.4-177.1-179.2-177.60107.6S106 F110 Y618S106-K108 PolarHBondContact O-N 2.7Å; S106-K108 WeakPolarHBondContact OG-CA 3.3Å; S106-K108 PolarHBondContact OG-N 3.32Å; S106-K108 PolarHBondContact OG-O 3.47Å; K108-F110 PolarHBondContact O-N 2.87Å; K108-F110 VanDerWaalsContact O-N 3.09Å; K108-Y618 HydrophobicContact CB-CE1 4.34Å; K108-Y618 WeakPolarHBondContact O-CE1 3.07Å
109Q63Low77.3Confident142 Ų14260.5 Ų60.566%0.66433%0.325SS*.PPolyproline II helixtrans-49.6124.5173.3-81.6-176.5-6.600109.6V111Q109-V111 PolarHBondContact O-N 3.45Å
110F71.3Confident76.8Confident9 Ų961.6 Ų61.64%0.03933%0.33CS..PPolyproline II helixtrans-63.5125.8173.7-174.4-93.6000108.1K108 G112 C113 L155 I159 Y618 L637K108-F110 PolarHBondContact O-N 2.87Å; K108-F110 VanDerWaalsContact O-N 3.09Å; F110-G112 PolarHBondContact O-N 2.68Å; F110-C113 HydrophobicContact CD1-CB 4.33Å; F110-C113 PolarHBondContact O-N 2.82Å; F110-L155 HydrophobicContact CE1-CD1 4.19Å; F110-I159 HydrophobicContact CE1-CG1 4.02Å; F110-I159 HydrophobicContact CE2-CG1 4.45Å; F110-I159 HydrophobicContact CZ-CB 4.25Å; F110-I159 HydrophobicContact CZ-CG1 3.45Å; F110-I159 VanDerWaalsContact CZ-CG1 3.45Å; F110-Y618 HydrophobicContact CB-CD1 4.46Å; F110-Y618 HydrophobicContact CB-CE1 4.41Å; F110-Y618 HydrophobicContact CD2-CD1 4.2Å; F110-Y618 AromaticContact CD2-CD2 3.84Å; F110-Y618 HydrophobicContact CD2-CD2 3.84Å; F110-Y618 HydrophobicContact CD2-CE1 4.25Å; F110-Y618 AromaticContact CD2-CE2 3.88Å; F110-Y618 HydrophobicContact CD2-CE2 3.88Å; F110-Y618 HydrophobicContact CD2-CG 4.01Å; F110-Y618 HydrophobicContact CE2-CD2 4.23Å; F110-Y618 HydrophobicContact CE2-CE2 4.29Å; F110-L637 HydrophobicContact CD1-CD2 4.28Å; F110-L637 HydrophobicContact CD2-CD2 4.17Å; F110-L637 HydrophobicContact CE1-CD2 4.13Å; F110-L637 HydrophobicContact CE2-CD2 4.03Å; F110-L637 HydrophobicContact CG-CD2 4.32Å; F110-L637 HydrophobicContact CZ-CD2 4.04Å
111V71.6Confident76.5Confident85 Ų8560.3 Ų60.352%0.51533%0.325SS..THydrogen-bonded Turntrans-56.8133.4-175.7-178.70000109.1Q109 C113 T158Q109-V111 PolarHBondContact O-N 3.45Å; V111-C113 VanDerWaalsContact C-N 3.31Å; V111-C113 PolarHBondContact O-N 2.65Å; V111-T158 HydrophobicContact CB-CG2 4.25Å; V111-T158 HydrophobicContact CG1-CG2 4.03Å; V111-T158 WeakPolarHBondContact O-CG2 3.3Å
112G76.5Confident76.4Confident19 Ų1959.3 Ų59.320%0.19632%0.322CS..THydrogen-bonded Turntrans75.411-178.700000115.6F110 R125F110-G112 PolarHBondContact O-N 2.68Å; G112-R125 WeakPolarHBondContact O-CB 3.18Å; G112-R125 PolarHBondContact O-N 2.81Å
113C83.9Confident76.1Confident4 Ų459.7 Ų59.73%0.02732%0.324CS..EExtended strand (participates in β ladder)trans-120.6163.6167.8-66.30000111.3F110 V111 T122 D123 R125F110-C113 HydrophobicContact CD1-CB 4.33Å; F110-C113 PolarHBondContact O-N 2.82Å; V111-C113 VanDerWaalsContact C-N 3.31Å; V111-C113 PolarHBondContact O-N 2.65Å; C113-T122 HydrophobicContact CB-CG2 3.78Å; C113-D123 CarbonylContact C-O 3.53Å; C113-D123 WeakPolarHBondContact CA-O 3.41Å; C113-D123 WeakPolarHBondContact CB-O 3.36Å; C113-R125 PolarHBondContact O-NE 3.42Å; C113-R125 PolarHBondContact O-NH2 3.33Å
114Y84.1Confident75.8Confident77 Ų7760.3 Ų60.330%0.30233%0.327SS..EExtended strand (participates in β ladder)trans-145.7151169.569.9-78.8000110.4N116 T122 D123 R125Y114-N116 HydrophobicContact CD2-CB 4.4Å; Y114-N116 HydrophobicContact CE2-CB 3.89Å; Y114-T122 CarbonylContact O-C 3.58Å; Y114-T122 WeakPolarHBondContact O-CA 3.12Å; Y114-D123 HydrophobicContact CD1-CB 4.02Å; Y114-D123 HydrophobicContact CE1-CB 3.49Å; Y114-D123 VanDerWaalsContact CE1-CB 3.49Å; Y114-D123 HydrophobicContact CE2-CB 4.19Å; Y114-D123 PolarHBondContact N-O 2.85Å; Y114-D123 PolarHBondContact O-N 2.85Å; Y114-R125 HydrophobicContact CD1-CG 3.66Å; Y114-R125 HydrophobicContact CE1-CG 4.41Å
115F85.2Confident75.6Confident88 Ų8864.4 Ų64.439%0.38634%0.341SS..EExtended strand (participates in β ladder)trans-82.4120.9171.8-177.5-102.5000109.1M120F115-M120 HydrophobicContact CE1-CE 4.37Å; F115-M120 HydrophobicContact CE1-SD 4.26Å; F115-M120 HydrophobicContact CZ-CB 4.47Å; F115-M120 HydrophobicContact CZ-CE 4.45Å; F115-M120 HydrophobicContact CZ-SD 3.77Å
116N83.2Confident75.4Confident31 Ų3165.3 Ų65.317%0.16635%0.349CS..EExtended strand (participates in β ladder)trans-92.8110175.1-175-19.3000109.2Y114 S118 S119 M120 C121 D123Y114-N116 HydrophobicContact CD2-CB 4.4Å; Y114-N116 HydrophobicContact CE2-CB 3.89Å; N116-S118 VanDerWaalsContact C-N 3.31Å; N116-S118 PolarHBondContact O-N 2.85Å; N116-S118 PolarHBondContact OD1-N 3.27Å; N116-S118 PolarHBondContact OD1-OG 3.27Å; N116-S119 PolarHBondContact ND2-OG 3Å; N116-S119 PolarHBondContact OD1-N 3.09Å; N116-M120 VanDerWaalsContact O-CA 3.26Å; N116-M120 WeakPolarHBondContact O-CA 3.25Å; N116-M120 PolarHBondContact O-N 2.85Å; N116-C121 PolarHBondContact N-O 3.18Å; N116-C121 PolarHBondContact O-N 3.06Å; N116-D123 WeakPolarHBondContact CB-OD2 3.28Å; N116-D123 PolarHBondContact ND2-OD2 3.06Å
117S80.1Confident75.2Confident85 Ų8566 Ų6659%0.59435%0.353SS*.THydrogen-bonded Turntrans-71.8-21.5-178.357.50000113.7M120S117-M120 WeakPolarHBondContact O-CE 3.39Å
118S79.1Confident74.9Confident107 Ų10763.8 Ų63.875%0.74834%0.341SS*.THydrogen-bonded Turntrans-74.9-42.7177.467.60000111N116N116-S118 VanDerWaalsContact C-N 3.31Å; N116-S118 PolarHBondContact O-N 2.85Å; N116-S118 PolarHBondContact OD1-N 3.27Å; N116-S118 PolarHBondContact OD1-OG 3.27Å
119S78.4Confident74.3Confident36 Ų3661.6 Ų61.625%0.25233%0.333SS..THydrogen-bonded Turntrans-94.7-4178.664.70000114.6N116 C121 R623N116-S119 PolarHBondContact ND2-OG 3Å; N116-S119 PolarHBondContact OD1-N 3.09Å; S119-C121 PolarHBondContact O-N 2.82Å; S119-C121 PolarHBondContact O-SG 2.8Å; S119-R623 PolarHBondContact OG-NH2 2.84Å
120M81.3Confident73.5Confident36 Ų3655.5 Ų55.518%0.17731%0.305CS..THydrogen-bonded Turntrans51.939.3-177.7-67.2-85.4145.400113.1R96 Q100 S103 F115 N116 S117R96-M120 HydrophobicContact CG-CB 4.25Å; R96-M120 HydrophobicContact CG-CG 3.72Å; Q100-M120 HydrophobicContact CG-SD 3.95Å; Q100-M120 PolarHBondContact NE2-SD 2.87Å; Q100-M120 VanDerWaalsContact NE2-SD 3.42Å; S103-M120 PolarHBondContact OG-O 2.56Å; F115-M120 HydrophobicContact CE1-CE 4.37Å; F115-M120 HydrophobicContact CE1-SD 4.26Å; F115-M120 HydrophobicContact CZ-CB 4.47Å; F115-M120 HydrophobicContact CZ-CE 4.45Å; F115-M120 HydrophobicContact CZ-SD 3.77Å; N116-M120 VanDerWaalsContact O-CA 3.26Å; N116-M120 WeakPolarHBondContact O-CA 3.25Å; N116-M120 PolarHBondContact O-N 2.85Å; S117-M120 WeakPolarHBondContact O-CE 3.39Å
121C84.5Confident72.2Confident14 Ų1459.2 Ų59.210%0.09533%0.325CS..EExtended strand (participates in β ladder)trans-129.5153.8-176.7-70.30000110N116 S119N116-C121 PolarHBondContact N-O 3.18Å; N116-C121 PolarHBondContact O-N 3.06Å; S119-C121 PolarHBondContact O-N 2.82Å; S119-C121 PolarHBondContact O-SG 2.8Å
122T87.2Confident71Confident7 Ų764.9 Ų64.94%0.04334%0.343CS..EExtended strand (participates in β ladder)trans-82.9118165.3-54.30000108.4I104 C113 Y114 Y621 I622 R623I104-T122 HydrophobicContact CB-CG2 4.45Å; I104-T122 PolarHBondContact N-OG1 3.24Å; C113-T122 HydrophobicContact CB-CG2 3.78Å; Y114-T122 CarbonylContact O-C 3.58Å; Y114-T122 WeakPolarHBondContact O-CA 3.12Å; T122-Y621 WeakPolarHBondContact CB-O 3.31Å; T122-I622 HydrophobicContact CG2-CG1 4.15Å; T122-I622 CarbonylContact O-C 3.59Å; T122-I622 VanDerWaalsContact O-CA 3.29Å; T122-I622 WeakPolarHBondContact O-CA 3.45Å; T122-R623 PolarHBondContact O-N 2.91Å
123D85.7Confident69.6Low11 Ų1166 Ų666%0.05934%0.344CS..EExtended strand (participates in β ladder)trans-100.4147.3178.4-76.4-31.3000110.8C113 Y114 N116 R623C113-D123 CarbonylContact C-O 3.53Å; C113-D123 WeakPolarHBondContact CA-O 3.41Å; C113-D123 WeakPolarHBondContact CB-O 3.36Å; Y114-D123 HydrophobicContact CD1-CB 4.02Å; Y114-D123 HydrophobicContact CE1-CB 3.49Å; Y114-D123 VanDerWaalsContact CE1-CB 3.49Å; Y114-D123 HydrophobicContact CE2-CB 4.19Å; Y114-D123 PolarHBondContact N-O 2.85Å; Y114-D123 PolarHBondContact O-N 2.85Å; N116-D123 WeakPolarHBondContact CB-OD2 3.28Å; N116-D123 PolarHBondContact ND2-OD2 3.06Å; D123-R623 WeakPolarHBondContact OD1-CB 3.36Å; D123-R623 IonicContact OD1-CZ 3.58Å; D123-R623 IonicContact OD1-NE 3.65Å; D123-R623 PolarHBondContact OD1-NE 3.29Å; D123-R623 IonicContact OD1-NH2 2.9Å; D123-R623 PolarHBondContact OD1-NH2 3.45Å; D123-R623 IonicContact OD2-CZ 2.66Å; D123-R623 IonicContact OD2-NH2 2.76Å; D123-R623 PolarHBondContact OD2-NH2 2.97Å
124I83.7Confident68Low16 Ų1671.3 Ų71.38%0.08237%0.369CS..EExtended strand (participates in β ladder)trans-71134.4167-165.8173.6000110L126 L155 I622 R623I124-L126 PolarHBondContact O-N 3.07Å; I124-L155 HydrophobicContact CD1-CB 3.79Å; I124-L155 HydrophobicContact CD1-CD1 4.29Å; I124-L155 HydrophobicContact CD1-CG 4.48Å; I124-I622 HydrophobicContact CB-CG2 4.35Å; I124-R623 PolarHBondContact N-O 3.02Å
125R76.3Confident66.3Low105 Ų10577.1 Ų77.140%0.39640%0.395SS..PPolyproline II helixtrans-72.8122.5168.7-65.9-175.8-170.4-162.61.3108.1G112 C113 Y114 C127G112-R125 WeakPolarHBondContact O-CB 3.18Å; G112-R125 PolarHBondContact O-N 2.81Å; C113-R125 PolarHBondContact O-NE 3.42Å; C113-R125 PolarHBondContact O-NH2 3.33Å; Y114-R125 HydrophobicContact CD1-CG 3.66Å; Y114-R125 HydrophobicContact CE1-CG 4.41Å; R125-C127 PolarHBondContact O-N 3.43Å
126L64.7Low64.5Low129 Ų12979.2 Ų79.268%0.67541%0.411SS*.PPolyproline II helixtrans-60.1118.8174.3-74.9158.2000109.6I124I124-L126 PolarHBondContact O-N 3.07Å
127C51Low63.1Low59 Ų5978.1 Ų78.140%0.39940%0.404SS..  trans-87.2110.1172.7-170.20000109.4R125 Q129 T154R125-C127 PolarHBondContact O-N 3.43Å; C127-Q129 PolarHBondContact O-N 3.45Å; C127-T154 HydrophobicContact CB-CG2 3.64Å
128N45.9Very low61.8Low133 Ų13377.4 Ų77.471%0.71139%0.394SS*.G310 helixtrans-59.3-19.1179.7-74.6-16.4000113.5I130N128-I130 PolarHBondContact O-N 2.86Å
129Q44.5Very low60.7Low101 Ų10174 Ų7447%0.47237%0.367SS..G310 helixtrans-73.4-19.3-170.6-68.4-167.9-14.100115C127 N131 N265C127-Q129 PolarHBondContact O-N 3.45Å; Q129-N131 VanDerWaalsContact C-N 3.33Å; Q129-N131 PolarHBondContact O-N 2.87Å; Q129-N265 PolarHBondContact NE2-OD1 3.4Å
130I45.2Very low60Low13 Ų1382.6 Ų82.67%0.06740%0.4CS..G310 helixtrans-86.1-3.3-170.3-58.4164.6000113N128 K132 L133 K150 T154N128-I130 PolarHBondContact O-N 2.86Å; I130-K132 PolarHBondContact O-N 3.12Å; I130-L133 PolarHBondContact O-N 2.79Å; I130-K150 HydrophobicContact CB-CG 4.42Å; I130-K150 HydrophobicContact CG2-CD 4.06Å; I130-K150 HydrophobicContact CG2-CG 3.68Å; I130-T154 HydrophobicContact CD1-CG2 3.56Å; I130-T154 WeakPolarHBondContact CD1-OG1 3.29Å
131N43.3Very low59.7Low87 Ų8782.6 Ų82.647%0.46540%0.4SS..G310 helixtrans-61.6-24174.7-75.2-13000113.4Q129 L133 Q134 K150Q129-N131 VanDerWaalsContact C-N 3.33Å; Q129-N131 PolarHBondContact O-N 2.87Å; N131-L133 VanDerWaalsContact C-N 3.31Å; N131-L133 PolarHBondContact O-N 2.87Å; N131-Q134 WeakPolarHBondContact O-CG 3.44Å; N131-Q134 PolarHBondContact O-OE1 3.35Å; N131-K150 PolarHBondContact OD1-NZ 2.65Å
132K46.4Very low59.5Low204 Ų20485.6 Ų85.689%0.88742%0.42SS*.G310 helixtrans-69.5-21.4-177.5-76.6-176.8177178.10114.9I130 Q134I130-K132 PolarHBondContact O-N 3.12Å; K132-Q134 VanDerWaalsContact C-N 3.29Å; K132-Q134 PolarHBondContact O-N 3.42Å
133L49Very low59.2Low44 Ų4492.3 Ų92.323%0.2346%0.456CS..G310 helixtrans-83.40.8-176.3-89136.6000114.7I130 N131 K135 Y300 Q301 L304I130-L133 PolarHBondContact O-N 2.79Å; N131-L133 VanDerWaalsContact C-N 3.31Å; N131-L133 PolarHBondContact O-N 2.87Å; L133-K135 PolarHBondContact O-N 3.03Å; L133-Y300 HydrophobicContact CD2-CD1 4.35Å; L133-Y300 HydrophobicContact CD2-CE1 3.71Å; L133-Q301 VanDerWaalsContact CD2-NE2 3.3Å; L133-L304 HydrophobicContact CD2-CD1 3.64Å
134Q49.9Very low59Low114 Ų11496 Ų9653%0.53347%0.472SS..THydrogen-bonded Turntrans-68.5-28.2-163.4-83178.3-37.600116.6N131 K132N131-Q134 WeakPolarHBondContact O-CG 3.44Å; N131-Q134 PolarHBondContact O-OE1 3.35Å; K132-Q134 VanDerWaalsContact C-N 3.29Å; K132-Q134 PolarHBondContact O-N 3.42Å
135K48.9Very low59.1Low199 Ų19998.3 Ų98.387%0.86548%0.481SS*.THydrogen-bonded Turntrans-84.3-31.1-161-85.1-175.4174.4-179.80116.6L133L133-K135 PolarHBondContact O-N 3.03Å
136N46.8Very low59.4Low132 Ų13294.9 Ų94.971%0.70647%0.473SS*.THydrogen-bonded Turntrans-113.3-8.4-167.8-66-8.2000115
137Y53.6Low60.4Low8 Ų891.5 Ų91.53%0.03145%0.452CS..  trans-98.4-23.8-162.1-155.9-96.4000115.8L139 N296 Y297 Y300 Y335 F339Y137-L139 PolarHBondContact O-N 3.39Å; Y137-N296 PolarHBondContact OH-O 3.3Å; Y137-Y297 AromaticContact CD1-CD2 3.51Å; Y137-Y297 HydrophobicContact CD1-CD2 3.51Å; Y137-Y297 AromaticContact CD1-CE2 3.9Å; Y137-Y297 HydrophobicContact CD1-CE2 3.9Å; Y137-Y297 AromaticContact CE1-CD2 3.54Å; Y137-Y297 HydrophobicContact CE1-CD2 3.54Å; Y137-Y297 HydrophobicContact CE1-CE2 4.33Å; Y137-Y297 HydrophobicContact CE1-CG 4.19Å; Y137-Y300 AromaticContact CD2-CD1 3.56Å; Y137-Y300 HydrophobicContact CD2-CD1 3.56Å; Y137-Y300 HydrophobicContact CD2-CD2 4.37Å; Y137-Y300 AromaticContact CD2-CE1 3.54Å; Y137-Y300 HydrophobicContact CD2-CE1 3.54Å; Y137-Y300 HydrophobicContact CD2-CE2 4.38Å; Y137-Y300 AromaticContact CD2-CG 3.98Å; Y137-Y300 HydrophobicContact CD2-CG 3.98Å; Y137-Y300 AromaticContact CD2-CZ 3.99Å; Y137-Y300 AromaticContact CE2-CD1 3.18Å; Y137-Y300 HydrophobicContact CE2-CD1 3.18Å; Y137-Y300 AromaticContact CE2-CD2 3.57Å; Y137-Y300 HydrophobicContact CE2-CD2 3.57Å; Y137-Y300 AromaticContact CE2-CE1 3.61Å; Y137-Y300 HydrophobicContact CE2-CE1 3.61Å; Y137-Y300 AromaticContact CE2-CE2 3.98Å; Y137-Y300 HydrophobicContact CE2-CE2 3.98Å; Y137-Y300 AromaticContact CE2-CG 3.14Å; Y137-Y300 HydrophobicContact CE2-CG 3.14Å; Y137-Y300 HydrophobicContact CG-CD1 4.45Å; Y137-Y300 VanDerWaalsContact CZ-CB 3.48Å; Y137-Y300 AromaticContact CZ-CD1 3.79Å; Y137-Y300 AromaticContact CZ-CG 3.64Å; Y137-Y300 WeakPolarHBondContact OH-CB 3.37Å; Y137-Y335 HydrophobicContact CD1-CE1 4.29Å; Y137-Y335 HydrophobicContact CD2-CE1 4.14Å; Y137-Y335 AromaticContact CE1-CE1 3.75Å; Y137-Y335 HydrophobicContact CE1-CE1 3.75Å; Y137-Y335 AromaticContact CE1-CZ 3.95Å; Y137-Y335 AromaticContact CE2-CD1 3.99Å; Y137-Y335 HydrophobicContact CE2-CD1 3.99Å; Y137-Y335 AromaticContact CE2-CE1 3.53Å; Y137-Y335 HydrophobicContact CE2-CE1 3.53Å; Y137-Y335 HydrophobicContact CG-CE1 4.47Å; Y137-Y335 AromaticContact CZ-CD1 3.96Å; Y137-Y335 AromaticContact CZ-CE1 3.33Å; Y137-Y335 AromaticContact CZ-CZ 3.93Å; Y137-Y335 PolarHBondContact O-OH 3.27Å; Y137-Y335 VanDerWaalsContact O-OH 3.12Å; Y137-Y335 WeakPolarHBondContact OH-CE1 3.39Å; Y137-F339 HydrophobicContact CD2-CE1 4.19Å; Y137-F339 HydrophobicContact CD2-CE2 4.22Å; Y137-F339 AromaticContact CD2-CZ 3.65Å; Y137-F339 HydrophobicContact CD2-CZ 3.65Å; Y137-F339 HydrophobicContact CE2-CE2 4.11Å; Y137-F339 AromaticContact CE2-CZ 3.98Å; Y137-F339 HydrophobicContact CE2-CZ 3.98Å
138L52.1Low62.2Low71 Ų7189.3 Ų89.337%0.37244%0.436SS..  trans-81.491.5-169.7-70.1158.7000109.4K140 M141 S146L138-K140 PolarHBondContact O-N 2.93Å; L138-M141 HydrophobicContact CD2-CE 3.76Å; L138-M141 HydrophobicContact CD2-CG 3.71Å; L138-M141 HydrophobicContact CD2-SD 3.42Å; L138-M141 WeakPolarHBondContact CD2-SD 3.4Å; L138-S146 VanDerWaalsContact CD1-OG 3.31Å; L138-S146 WeakPolarHBondContact CD1-OG 3.14Å; L138-S146 WeakPolarHBondContact CD2-OG 3.35Å
139L56.3Low64.1Low36 Ų3683.2 Ų83.219%0.18840%0.403CS..  trans-35128.9147.9-80.7171.9000107.5Y137 M141 Y293 Y335Y137-L139 PolarHBondContact O-N 3.39Å; L139-M141 VanDerWaalsContact C-N 3.35Å; L139-M141 HydrophobicContact CB-CE 4.16Å; L139-M141 VanDerWaalsContact O-CB 3.29Å; L139-M141 WeakPolarHBondContact O-CB 3.48Å; L139-M141 WeakPolarHBondContact O-CE 3.35Å; L139-M141 WeakPolarHBondContact O-CG 3.46Å; L139-M141 PolarHBondContact O-N 3.01Å; L139-Y293 HydrophobicContact CB-CE1 3.93Å; L139-Y293 HydrophobicContact CD1-CD1 3.95Å; L139-Y293 HydrophobicContact CD1-CE1 3.55Å; L139-Y293 HydrophobicContact CG-CE1 4.4Å; L139-Y335 HydrophobicContact CD1-CD2 4.28Å; L139-Y335 HydrophobicContact CD1-CE2 3.27Å; L139-Y335 WeakPolarHBondContact CD1-OH 3.47Å; L139-Y335 HydrophobicContact CG-CE2 3.97Å; L139-Y335 WeakPolarHBondContact CG-OH 3.44Å
140K64.4Low66Low216 Ų21680.1 Ų80.194%0.93939%0.388SS*.SBendtrans-40.598.1-178-81.7-175.3176.6-179.10110.1L138L138-K140 PolarHBondContact O-N 2.93Å
141M73.9Confident68Low36 Ų3680.1 Ų80.118%0.17739%0.388CS..  trans-136.6153.9-178.570.2178.676.400108.6L138 L139 K145 L149 Y293L138-M141 HydrophobicContact CD2-CE 3.76Å; L138-M141 HydrophobicContact CD2-CG 3.71Å; L138-M141 HydrophobicContact CD2-SD 3.42Å; L138-M141 WeakPolarHBondContact CD2-SD 3.4Å; L139-M141 VanDerWaalsContact C-N 3.35Å; L139-M141 HydrophobicContact CB-CE 4.16Å; L139-M141 VanDerWaalsContact O-CB 3.29Å; L139-M141 WeakPolarHBondContact O-CB 3.48Å; L139-M141 WeakPolarHBondContact O-CE 3.35Å; L139-M141 WeakPolarHBondContact O-CG 3.46Å; L139-M141 PolarHBondContact O-N 3.01Å; M141-K145 HydrophobicContact CB-CB 4.49Å; M141-K145 HydrophobicContact CB-CD 4.28Å; M141-K145 HydrophobicContact SD-CB 4.4Å; M141-K145 HydrophobicContact SD-CD 4.43Å; M141-K145 HydrophobicContact SD-CG 4.16Å; M141-L149 HydrophobicContact CE-CD1 4.21Å; M141-L149 HydrophobicContact SD-CD1 3.78Å; M141-Y293 HydrophobicContact CE-CD1 3.68Å; M141-Y293 HydrophobicContact CE-CE1 4.09Å; M141-Y293 HydrophobicContact CE-CG 4.39Å
142S81Confident70.2Confident76 Ų7676.1 Ų76.153%0.53137%0.366SS..  trans-65.8152.2180620000111.5K144 K145 S146S142-K144 PolarHBondContact O-N 3.44Å; S142-K145 PolarHBondContact O-N 3.06Å; S142-S146 PolarHBondContact O-N 2.9Å
143N79.9Confident72Confident148 Ų14866.5 Ų66.579%0.79133%0.325SS*.Hα-helixtrans-52-42.8176.8-67.6-7.7000112.2K145 S146 Y147N143-K145 PolarHBondContact O-N 2.95Å; N143-S146 PolarHBondContact O-N 3.29Å; N143-Y147 WeakPolarHBondContact O-CB 3.33Å; N143-Y147 PolarHBondContact O-N 3.07Å
144K83.5Confident73.6Confident88 Ų8864.8 Ų64.838%0.38332%0.316SS..Hα-helixtrans-54.4-50.2174.9177.4-178.1175.1175.60111.8S142 Y147 E148 L629 S630S142-K144 PolarHBondContact O-N 3.44Å; K144-Y147 WeakPolarHBondContact O-CB 3.48Å; K144-Y147 PolarHBondContact O-N 3.37Å; K144-E148 WeakPolarHBondContact CE-OE1 3.47Å; K144-E148 IonicContact NZ-OE1 2.8Å; K144-E148 WeakPolarHBondContact O-CG 3.48Å; K144-E148 PolarHBondContact O-N 3.38Å; K144-L629 WeakPolarHBondContact CD-O 3.46Å; K144-S630 VanDerWaalsContact CE-OG 3.28Å; K144-S630 WeakPolarHBondContact CE-OG 3.3Å
145K84.9Confident75.4Confident66 Ų6659.4 Ų59.429%0.28729%0.291SS..Hα-helixtrans-66-44.9-177-169.4172-165.7164.40111.2M141 S142 N143 Y147 E148 L149 Y293M141-K145 HydrophobicContact CB-CB 4.49Å; M141-K145 HydrophobicContact CB-CD 4.28Å; M141-K145 HydrophobicContact SD-CB 4.4Å; M141-K145 HydrophobicContact SD-CD 4.43Å; M141-K145 HydrophobicContact SD-CG 4.16Å; S142-K145 PolarHBondContact O-N 3.06Å; N143-K145 PolarHBondContact O-N 2.95Å; K145-Y147 VanDerWaalsContact C-N 3.27Å; K145-Y147 PolarHBondContact O-N 3.07Å; K145-E148 PolarHBondContact O-N 2.86Å; K145-L149 VanDerWaalsContact O-CG 3.3Å; K145-L149 WeakPolarHBondContact O-CG 3.44Å; K145-L149 PolarHBondContact O-N 3.02Å; K145-Y293 HydrophobicContact CD-CD2 4.31Å
146S83.4Confident77.2Confident32 Ų3250 Ų5022%0.22425%0.25CS..Hα-helixtrans-55.5-44.5174.8-179.80000111.9L138 S142 N143 K150L138-S146 VanDerWaalsContact CD1-OG 3.31Å; L138-S146 WeakPolarHBondContact CD1-OG 3.14Å; L138-S146 WeakPolarHBondContact CD2-OG 3.35Å; S142-S146 PolarHBondContact O-N 2.9Å; N143-S146 PolarHBondContact O-N 3.29Å; S146-K150 WeakPolarHBondContact O-CB 3.49Å; S146-K150 PolarHBondContact O-N 3.36Å; S146-K150 VanDerWaalsContact O-N 3.16Å
147Y84.3Confident78.9Confident59 Ų5945.7 Ų45.723%0.23123%0.226CC..Hα-helixtrans-61.7-49.6178.2171.3-105.9000111.7N143 K144 K145 L149 K150 Q151 F625 D626N143-Y147 WeakPolarHBondContact O-CB 3.33Å; N143-Y147 PolarHBondContact O-N 3.07Å; K144-Y147 WeakPolarHBondContact O-CB 3.48Å; K144-Y147 PolarHBondContact O-N 3.37Å; K145-Y147 VanDerWaalsContact C-N 3.27Å; K145-Y147 PolarHBondContact O-N 3.07Å; Y147-L149 PolarHBondContact O-N 3.17Å; Y147-K150 PolarHBondContact O-N 3.29Å; Y147-Q151 HydrophobicContact CD2-CG 4.07Å; Y147-Q151 HydrophobicContact CE1-CG 4.16Å; Y147-Q151 HydrophobicContact CE2-CG 3.62Å; Y147-Q151 WeakPolarHBondContact O-CG 3.25Å; Y147-Q151 PolarHBondContact O-N 2.97Å; Y147-F625 HydrophobicContact CE1-CB 3.98Å; Y147-F625 HydrophobicContact CE1-CD1 4.26Å; Y147-F625 HydrophobicContact CE1-CG 4.49Å; Y147-D626 HydrophobicContact CE1-CB 4.13Å; Y147-D626 PolarHBondContact OH-N 3Å
148E88.3Confident80.1Confident12 Ų1246.7 Ų46.76%0.05623%0.233CC..Hα-helixtrans-59.2-44.3179.6-70.5176.7171.300112.7K144 K145 K150 Q151 I152 H382 F625 S630K144-E148 WeakPolarHBondContact CE-OE1 3.47Å; K144-E148 IonicContact NZ-OE1 2.8Å; K144-E148 WeakPolarHBondContact O-CG 3.48Å; K144-E148 PolarHBondContact O-N 3.38Å; K145-E148 PolarHBondContact O-N 2.86Å; E148-K150 VanDerWaalsContact C-N 3.34Å; E148-K150 PolarHBondContact O-N 3.08Å; E148-Q151 PolarHBondContact O-N 3.08Å; E148-I152 PolarHBondContact O-N 2.64Å; E148-H382 IonicContact OE1-CE1 2.98Å; E148-H382 IonicContact OE1-NE2 3.74Å; E148-H382 PolarHBondContact OE1-NE2 2.85Å; E148-H382 VanDerWaalsContact OE1-NE2 3.14Å; E148-H382 IonicContact OE2-CD2 2.59Å; E148-H382 IonicContact OE2-NE2 2.7Å; E148-H382 PolarHBondContact OE2-NE2 2.81Å; E148-F625 VanDerWaalsContact CA-CE1 3.48Å; E148-F625 HydrophobicContact CB-CD1 4.42Å; E148-F625 HydrophobicContact CB-CE1 3.78Å; E148-F625 HydrophobicContact CB-CE2 4.33Å; E148-F625 HydrophobicContact CB-CZ 3.71Å; E148-F625 HydrophobicContact CG-CD1 4.13Å; E148-F625 HydrophobicContact CG-CD2 4.11Å; E148-F625 HydrophobicContact CG-CE1 3.9Å; E148-F625 HydrophobicContact CG-CE2 3.87Å; E148-F625 HydrophobicContact CG-CG 4.25Å; E148-F625 HydrophobicContact CG-CZ 3.74Å; E148-F625 WeakPolarHBondContact O-CE1 2.88Å; E148-S630 WeakPolarHBondContact OE1-CB 3.31Å; E148-S630 PolarHBondContact OE1-OG 3.04Å
149L87.4Confident81.6Confident6 Ų643.3 Ų43.33%0.03122%0.215CC..Hα-helixtrans-61.7-43.2178.6-66-176000111.8M141 K145 Y147 S153 L294 L381M141-L149 HydrophobicContact CE-CD1 4.21Å; M141-L149 HydrophobicContact SD-CD1 3.78Å; K145-L149 VanDerWaalsContact O-CG 3.3Å; K145-L149 WeakPolarHBondContact O-CG 3.44Å; K145-L149 PolarHBondContact O-N 3.02Å; Y147-L149 PolarHBondContact O-N 3.17Å; L149-S153 WeakPolarHBondContact O-CB 3.36Å; L149-S153 PolarHBondContact O-N 3.21Å; L149-L294 HydrophobicContact CD2-CB 3.57Å; L149-L294 HydrophobicContact CD2-CD1 3.71Å; L149-L294 HydrophobicContact CD2-CG 4.2Å; L149-L381 HydrophobicContact CD2-CD2 4.36Å
150K83.8Confident82.7Confident36 Ų3641.9 Ų41.916%0.15721%0.208CC..Hα-helixtrans-62.4-49.3178.4-175.7178174.1-174.10111I130 N131 S146 Y147 E148 S153 T154I130-K150 HydrophobicContact CB-CG 4.42Å; I130-K150 HydrophobicContact CG2-CD 4.06Å; I130-K150 HydrophobicContact CG2-CG 3.68Å; N131-K150 PolarHBondContact OD1-NZ 2.65Å; S146-K150 WeakPolarHBondContact O-CB 3.49Å; S146-K150 PolarHBondContact O-N 3.36Å; S146-K150 VanDerWaalsContact O-N 3.16Å; Y147-K150 PolarHBondContact O-N 3.29Å; E148-K150 VanDerWaalsContact C-N 3.34Å; E148-K150 PolarHBondContact O-N 3.08Å; K150-S153 PolarHBondContact O-N 3.01Å; K150-T154 PolarHBondContact O-N 3.4Å; K150-T154 PolarHBondContact O-OG1 3.41Å
151Q86.2Confident83.2Confident13 Ų1334.9 Ų34.96%0.06118%0.18CC..Hα-helixtrans-61.5-47.5-179-68.6-63.5102.200111.9Y147 E148 T154 L155 I624 F625Y147-Q151 HydrophobicContact CD2-CG 4.07Å; Y147-Q151 HydrophobicContact CE1-CG 4.16Å; Y147-Q151 HydrophobicContact CE2-CG 3.62Å; Y147-Q151 WeakPolarHBondContact O-CG 3.25Å; Y147-Q151 PolarHBondContact O-N 2.97Å; E148-Q151 PolarHBondContact O-N 3.08Å; Q151-T154 WeakPolarHBondContact O-CB 3.18Å; Q151-T154 PolarHBondContact O-N 3Å; Q151-L155 PolarHBondContact O-N 3.39Å; Q151-L155 VanDerWaalsContact O-N 3.08Å; Q151-I624 PolarHBondContact NE2-O 3.17Å; Q151-I624 VanDerWaalsContact NE2-O 3.11Å; Q151-F625 HydrophobicContact CB-CD1 3.9Å; Q151-F625 HydrophobicContact CB-CE1 3.88Å; Q151-F625 HydrophobicContact CG-CD1 4.26Å
152I89.4Confident83.1Confident2 Ų234 Ų341%0.0118%0.178CC..Hα-helixtrans-66.6-42.2178.7-76.7179000111.9E148 T154 L155 I156 L294 L379 L381 V407 I624 F625E148-I152 PolarHBondContact O-N 2.64Å; I152-T154 PolarHBondContact O-N 3.45Å; I152-L155 PolarHBondContact O-N 3.2Å; I152-I156 HydrophobicContact CG2-CD1 3.61Å; I152-I156 HydrophobicContact CG2-CG1 4.23Å; I152-I156 WeakPolarHBondContact O-CG1 3.48Å; I152-I156 PolarHBondContact O-N 3.33Å; I152-L294 HydrophobicContact CB-CD1 4.33Å; I152-L294 HydrophobicContact CG2-CD1 3.85Å; I152-L294 HydrophobicContact CG2-CD2 4.13Å; I152-L379 HydrophobicContact CG2-CD1 4.21Å; I152-L381 HydrophobicContact CD1-CB 4.14Å; I152-L381 HydrophobicContact CD1-CD1 3.3Å; I152-L381 HydrophobicContact CD1-CD2 3.77Å; I152-L381 HydrophobicContact CD1-CG 3.89Å; I152-V407 HydrophobicContact CD1-CG2 4.27Å; I152-I624 HydrophobicContact CD1-CD1 3.81Å; I152-I624 HydrophobicContact CG1-CD1 3.51Å; I152-F625 HydrophobicContact CD1-CE1 4.12Å; I152-F625 HydrophobicContact CD1-CZ 3.51Å; I152-F625 HydrophobicContact CG1-CE1 3.89Å; I152-F625 HydrophobicContact CG1-CZ 3.8Å
153S86.2Confident82.5Confident3 Ų330.7 Ų30.72%0.02115%0.154CC..Hα-helixtrans-60.9-37.9177.4-173.10000111.7L149 K150 I156 Q157 Y297L149-S153 WeakPolarHBondContact O-CB 3.36Å; L149-S153 PolarHBondContact O-N 3.21Å; K150-S153 PolarHBondContact O-N 3.01Å; S153-I156 PolarHBondContact O-N 3.31Å; S153-Q157 WeakPolarHBondContact O-CG 3.32Å; S153-Q157 PolarHBondContact O-N 3.34Å; S153-Y297 VanDerWaalsContact CB-CE1 3.48Å; S153-Y297 WeakPolarHBondContact OG-CE1 3.21Å
154T81.6Confident81.7Confident7 Ų725.1 Ų25.14%0.04312%0.123CC..Hα-helixtrans-60.7-47.4174.8-49.70000111C127 I130 K150 Q151 I152 Q157 T158C127-T154 HydrophobicContact CB-CG2 3.64Å; I130-T154 HydrophobicContact CD1-CG2 3.56Å; I130-T154 WeakPolarHBondContact CD1-OG1 3.29Å; K150-T154 PolarHBondContact O-N 3.4Å; K150-T154 PolarHBondContact O-OG1 3.41Å; Q151-T154 WeakPolarHBondContact O-CB 3.18Å; Q151-T154 PolarHBondContact O-N 3Å; I152-T154 PolarHBondContact O-N 3.45Å; T154-Q157 PolarHBondContact O-N 2.86Å; T154-T158 PolarHBondContact O-N 2.84Å; T154-T158 PolarHBondContact O-OG1 2.85Å
155L86.7Confident80.5Confident1 Ų124.5 Ų24.51%0.00512%0.124CC..Hα-helixtrans-63.1-44.5179.7-177.556.7000111.1F110 I124 Q151 I152 Q157 T158 I159 L405 I622 I624F110-L155 HydrophobicContact CE1-CD1 4.19Å; I124-L155 HydrophobicContact CD1-CB 3.79Å; I124-L155 HydrophobicContact CD1-CD1 4.29Å; I124-L155 HydrophobicContact CD1-CG 4.48Å; Q151-L155 PolarHBondContact O-N 3.39Å; Q151-L155 VanDerWaalsContact O-N 3.08Å; I152-L155 PolarHBondContact O-N 3.2Å; L155-Q157 PolarHBondContact O-N 3.24Å; L155-T158 WeakPolarHBondContact O-CB 3.5Å; L155-T158 PolarHBondContact O-N 2.71Å; L155-I159 HydrophobicContact CD1-CD1 4.26Å; L155-I159 HydrophobicContact CD1-CG1 4.37Å; L155-I159 HydrophobicContact CG-CD1 3.86Å; L155-I159 HydrophobicContact CG-CG1 4.45Å; L155-I159 VanDerWaalsContact O-CG1 3.28Å; L155-I159 WeakPolarHBondContact O-CG1 3.49Å; L155-I159 PolarHBondContact O-N 3.01Å; L155-L405 HydrophobicContact CD2-CD1 3.82Å; L155-L405 HydrophobicContact CD2-CD2 4.09Å; L155-L405 HydrophobicContact CG-CD2 4.39Å; L155-I622 HydrophobicContact CD1-CD1 4.33Å; L155-I622 HydrophobicContact CD2-CD1 4.35Å; L155-I624 HydrophobicContact CD2-CG2 3.67Å
156I88.1Confident79.1Confident2 Ų224.3 Ų24.31%0.0113%0.129CC..Hα-helixtrans-60.5-45.8177.4-69.8169.4000110.9I152 S153 T158 I159 L160 I284 I298 L379 L405I152-I156 HydrophobicContact CG2-CD1 3.61Å; I152-I156 HydrophobicContact CG2-CG1 4.23Å; I152-I156 WeakPolarHBondContact O-CG1 3.48Å; I152-I156 PolarHBondContact O-N 3.33Å; S153-I156 PolarHBondContact O-N 3.31Å; I156-T158 VanDerWaalsContact C-N 3.29Å; I156-T158 PolarHBondContact O-N 3.14Å; I156-I159 WeakPolarHBondContact O-CB 3.28Å; I156-I159 PolarHBondContact O-N 3.48Å; I156-L160 HydrophobicContact CG2-CD1 3.85Å; I156-L160 HydrophobicContact CG2-CG 4.23Å; I156-L160 VanDerWaalsContact O-CG 3.28Å; I156-L160 WeakPolarHBondContact O-CG 3.35Å; I156-L160 PolarHBondContact O-N 3.37Å; I156-I284 HydrophobicContact CG2-CD1 3.95Å; I156-I298 HydrophobicContact CD1-CD1 3.48Å; I156-I298 VanDerWaalsContact CD1-CD1 3.48Å; I156-I298 HydrophobicContact CD1-CG1 4.38Å; I156-L379 HydrophobicContact CD1-CD1 4.06Å; I156-L379 HydrophobicContact CD1-CD2 3.63Å; I156-L379 HydrophobicContact CD1-CG 4.49Å; I156-L405 HydrophobicContact CD1-CD2 4.47Å; I156-L405 HydrophobicContact CG1-CD2 3.84Å
157Q81.7Confident77.4Confident41 Ų4125.7 Ų25.719%0.19214%0.136CC..Hα-helixtrans-58.7-43.4176-75.4174.1-17.400111.6S153 T154 L155 L160 L161S153-Q157 WeakPolarHBondContact O-CG 3.32Å; S153-Q157 PolarHBondContact O-N 3.34Å; T154-Q157 PolarHBondContact O-N 2.86Å; L155-Q157 PolarHBondContact O-N 3.24Å; Q157-L160 PolarHBondContact O-N 2.9Å; Q157-L161 WeakPolarHBondContact O-CB 3.34Å; Q157-L161 VanDerWaalsContact O-CG 3.29Å; Q157-L161 WeakPolarHBondContact O-CG 3.5Å; Q157-L161 PolarHBondContact O-N 3.03Å
158T80Confident75.2Confident30 Ų3026.3 Ų26.318%0.18415%0.146CC..Hα-helixtrans-63.9-42.6177.9-52.30000111.8V111 T154 L155 I156 S162V111-T158 HydrophobicContact CB-CG2 4.25Å; V111-T158 HydrophobicContact CG1-CG2 4.03Å; V111-T158 WeakPolarHBondContact O-CG2 3.3Å; T154-T158 PolarHBondContact O-N 2.84Å; T154-T158 PolarHBondContact O-OG1 2.85Å; L155-T158 WeakPolarHBondContact O-CB 3.5Å; L155-T158 PolarHBondContact O-N 2.71Å; I156-T158 VanDerWaalsContact C-N 3.29Å; I156-T158 PolarHBondContact O-N 3.14Å; T158-S162 WeakPolarHBondContact O-CB 3.45Å; T158-S162 PolarHBondContact O-N 2.94Å
159I83.2Confident72.6Confident0 Ų031.1 Ų31.10%017%0.172CC..Hα-helixtrans-57.9-54.8173.5-70160.5000109.5F110 L155 I156 L161 S162 F163 L377 I403 L405 L637F110-I159 HydrophobicContact CE1-CG1 4.02Å; F110-I159 HydrophobicContact CE2-CG1 4.45Å; F110-I159 HydrophobicContact CZ-CB 4.25Å; F110-I159 HydrophobicContact CZ-CG1 3.45Å; F110-I159 VanDerWaalsContact CZ-CG1 3.45Å; L155-I159 HydrophobicContact CD1-CD1 4.26Å; L155-I159 HydrophobicContact CD1-CG1 4.37Å; L155-I159 HydrophobicContact CG-CD1 3.86Å; L155-I159 HydrophobicContact CG-CG1 4.45Å; L155-I159 VanDerWaalsContact O-CG1 3.28Å; L155-I159 WeakPolarHBondContact O-CG1 3.49Å; L155-I159 PolarHBondContact O-N 3.01Å; I156-I159 WeakPolarHBondContact O-CB 3.28Å; I156-I159 PolarHBondContact O-N 3.48Å; I159-L161 VanDerWaalsContact C-N 3.34Å; I159-L161 PolarHBondContact O-N 3.36Å; I159-S162 PolarHBondContact O-N 3.16Å; I159-S162 VanDerWaalsContact O-N 3.17Å; I159-S162 PolarHBondContact O-OG 3.37Å; I159-F163 HydrophobicContact CG2-CD2 4.13Å; I159-F163 HydrophobicContact CG2-CE2 4.2Å; I159-F163 VanDerWaalsContact O-CD2 3.32Å; I159-F163 WeakPolarHBondContact O-CD2 3.48Å; I159-F163 PolarHBondContact O-N 3.23Å; I159-F163 VanDerWaalsContact O-N 3.14Å; I159-L377 HydrophobicContact CD1-CD1 4.49Å; I159-L377 HydrophobicContact CG2-CD1 4.11Å; I159-I403 HydrophobicContact CG2-CD1 3.35Å; I159-I403 HydrophobicContact CG2-CG2 4.47Å; I159-L405 HydrophobicContact CD1-CD2 4.02Å; I159-L637 HydrophobicContact CD1-CD1 3.9Å
160L78.9Confident70.1Confident5 Ų533.5 Ų33.53%0.02619%0.187CC..Hα-helixtrans-59.9-42.3-176.4-67.6173.6000112.2I156 Q157 F163 M164 P281 L282 I284I156-L160 HydrophobicContact CG2-CD1 3.85Å; I156-L160 HydrophobicContact CG2-CG 4.23Å; I156-L160 VanDerWaalsContact O-CG 3.28Å; I156-L160 WeakPolarHBondContact O-CG 3.35Å; I156-L160 PolarHBondContact O-N 3.37Å; Q157-L160 PolarHBondContact O-N 2.9Å; L160-F163 PolarHBondContact O-N 2.98Å; L160-M164 WeakPolarHBondContact O-CG 3.31Å; L160-M164 PolarHBondContact O-N 3.05Å; L160-M164 VanDerWaalsContact O-N 3.13Å; L160-P281 HydrophobicContact CB-CG 4.44Å; L160-P281 HydrophobicContact CD2-CG 4.07Å; L160-L282 HydrophobicContact CD2-CB 4.15Å; L160-I284 HydrophobicContact CD1-CD1 4.5Å
161L74.3Confident67.6Low69 Ų6936.4 Ų36.436%0.36121%0.208SC..Hα-helixtrans-62.4-44.6176.1-73.1169.8000112.1Q157 I159 F163 M164 D165Q157-L161 WeakPolarHBondContact O-CB 3.34Å; Q157-L161 VanDerWaalsContact O-CG 3.29Å; Q157-L161 WeakPolarHBondContact O-CG 3.5Å; Q157-L161 PolarHBondContact O-N 3.03Å; I159-L161 VanDerWaalsContact C-N 3.34Å; I159-L161 PolarHBondContact O-N 3.36Å; L161-F163 PolarHBondContact O-N 3.3Å; L161-M164 PolarHBondContact O-N 3.46Å; L161-M164 VanDerWaalsContact O-N 3.07Å; L161-D165 PolarHBondContact O-N 3.33Å
162S72.4Confident65.1Low19 Ų1938.6 Ų38.613%0.13323%0.228CC..Hα-helixtrans-61-30.517875.20000112.6T158 I159T158-S162 WeakPolarHBondContact O-CB 3.45Å; T158-S162 PolarHBondContact O-N 2.94Å; I159-S162 PolarHBondContact O-N 3.16Å; I159-S162 VanDerWaalsContact O-N 3.17Å; I159-S162 PolarHBondContact O-OG 3.37Å
163F68.4Low62.4Low6 Ų643.9 Ų43.93%0.02626%0.261CS..Hα-helixtrans-74.2-37.2175.6-89.6-101.8000112.2I159 L160 L161 D165 T166 T167 L282 I403 C639 M642I159-F163 HydrophobicContact CG2-CD2 4.13Å; I159-F163 HydrophobicContact CG2-CE2 4.2Å; I159-F163 VanDerWaalsContact O-CD2 3.32Å; I159-F163 WeakPolarHBondContact O-CD2 3.48Å; I159-F163 PolarHBondContact O-N 3.23Å; I159-F163 VanDerWaalsContact O-N 3.14Å; L160-F163 PolarHBondContact O-N 2.98Å; L161-F163 PolarHBondContact O-N 3.3Å; F163-D165 PolarHBondContact O-N 3.25Å; F163-T166 PolarHBondContact O-N 3.39Å; F163-T166 PolarHBondContact O-OG1 3.28Å; F163-T167 PolarHBondContact O-N 3.24Å; F163-L282 HydrophobicContact CD1-CD1 4.37Å; F163-I403 HydrophobicContact CD1-CD1 4.47Å; F163-I403 HydrophobicContact CD2-CD1 3.77Å; F163-I403 HydrophobicContact CE1-CD1 4.01Å; F163-I403 HydrophobicContact CE1-CG1 4.31Å; F163-I403 HydrophobicContact CE2-CD1 3.23Å; F163-I403 HydrophobicContact CE2-CG1 4.03Å; F163-I403 HydrophobicContact CG-CD1 4.36Å; F163-I403 HydrophobicContact CZ-CD1 3.36Å; F163-I403 HydrophobicContact CZ-CG1 3.68Å; F163-C639 HydrophobicContact CZ-CB 4.28Å; F163-M642 HydrophobicContact CD1-CE 4.14Å; F163-M642 HydrophobicContact CE1-CE 4.39Å; F163-M642 HydrophobicContact CE1-CG 4.22Å
164M64.2Low59.8Low30 Ų3049.3 Ų49.315%0.14829%0.294CS..Hα-helixtrans-60.6-44.5174.9-64.6-174.476.800111.7L160 L161 T166 T167 T168 P281L160-M164 WeakPolarHBondContact O-CG 3.31Å; L160-M164 PolarHBondContact O-N 3.05Å; L160-M164 VanDerWaalsContact O-N 3.13Å; L161-M164 PolarHBondContact O-N 3.46Å; L161-M164 VanDerWaalsContact O-N 3.07Å; M164-T166 VanDerWaalsContact C-N 3.25Å; M164-T166 PolarHBondContact O-N 3.24Å; M164-T167 PolarHBondContact O-N 2.93Å; M164-T167 VanDerWaalsContact O-N 3.1Å; M164-T167 PolarHBondContact O-OG1 3.39Å; M164-T168 PolarHBondContact O-N 3.01Å; M164-T168 VanDerWaalsContact O-N 3.13Å; M164-T168 PolarHBondContact O-OG1 2.75Å; M164-P281 HydrophobicContact CG-CG 3.94Å
165D57.9Low57.4Low76 Ų7654.1 Ų54.141%0.40632%0.324SS..Hα-helixtrans-62.4-30.4179.6-69.5-19.3000113.2L161 F163 T168 N169L161-D165 PolarHBondContact O-N 3.33Å; F163-D165 PolarHBondContact O-N 3.25Å; D165-T168 PolarHBondContact O-OG1 3.44Å; D165-N169 WeakPolarHBondContact O-CB 3.29Å; D165-N169 PolarHBondContact O-N 2.87Å; D165-N169 PolarHBondContact O-ND2 3.5Å; D165-N169 VanDerWaalsContact O-ND2 3.07Å
166T54.3Low54.7Low62 Ų6261 Ų6138%0.3836%0.36SS..Hα-helixtrans-74.6-32.317660.30000113F163 M164 T170F163-T166 PolarHBondContact O-N 3.39Å; F163-T166 PolarHBondContact O-OG1 3.28Å; M164-T166 VanDerWaalsContact C-N 3.25Å; M164-T166 PolarHBondContact O-N 3.24Å; T166-T170 PolarHBondContact O-N 2.83Å; T166-T170 PolarHBondContact O-OG1 2.89Å
167T47.4Very low51.9Low61 Ų6167.9 Ų67.937%0.37440%0.397SS..Hα-helixtrans-76.2-33.9178.854.40000113.3F163 M164 T170 T171F163-T167 PolarHBondContact O-N 3.24Å; M164-T167 PolarHBondContact O-N 2.93Å; M164-T167 VanDerWaalsContact O-N 3.1Å; M164-T167 PolarHBondContact O-OG1 3.39Å; T167-T170 PolarHBondContact O-OG1 2.77Å; T167-T171 PolarHBondContact O-OG1 3.24Å; T167-T171 VanDerWaalsContact O-OG1 3.07Å
168T38.3Very low49.5Very low72 Ų7273.7 Ų73.744%0.44243%0.43SS..Hα-helixtrans-73.2-38176.9520000112.1M164 D165 T170 T171 A172M164-T168 PolarHBondContact O-N 3.01Å; M164-T168 VanDerWaalsContact O-N 3.13Å; M164-T168 PolarHBondContact O-OG1 2.75Å; D165-T168 PolarHBondContact O-OG1 3.44Å; T168-T170 VanDerWaalsContact C-N 3.33Å; T168-T170 PolarHBondContact O-N 2.76Å; T168-T171 PolarHBondContact O-N 2.85Å; T168-T171 PolarHBondContact O-OG1 2.96Å; T168-A172 PolarHBondContact O-N 2.81Å
169N33.9Very low47.1Very low112 Ų11279.7 Ų79.760%0.59946%0.46SS*.Hα-helixtrans-70.3-27.3178.3-75.8-29.3000113.7D165 T173D165-N169 WeakPolarHBondContact O-CB 3.29Å; D165-N169 PolarHBondContact O-N 2.87Å; D165-N169 PolarHBondContact O-ND2 3.5Å; D165-N169 VanDerWaalsContact O-ND2 3.07Å; N169-T173 PolarHBondContact O-OG1 3.16Å
170T34.7Very low44.5Very low57 Ų5786.4 Ų86.435%0.3550%0.496SS..Hα-helixtrans-77.5-26.8176.629.90000113.1T166 T167 T168 T173 T174T166-T170 PolarHBondContact O-N 2.83Å; T166-T170 PolarHBondContact O-OG1 2.89Å; T167-T170 PolarHBondContact O-OG1 2.77Å; T168-T170 VanDerWaalsContact C-N 3.33Å; T168-T170 PolarHBondContact O-N 2.76Å; T170-T173 PolarHBondContact O-OG1 2.84Å; T170-T174 PolarHBondContact O-OG1 3.06Å; T170-T174 VanDerWaalsContact O-OG1 3.13Å
171T33Very low42.2Very low96 Ų9693.2 Ų93.259%0.58953%0.533SS*.Hα-helixtrans-77.6-33.9174.431.50000112T167 T168 T173 T174 T175T167-T171 PolarHBondContact O-OG1 3.24Å; T167-T171 VanDerWaalsContact O-OG1 3.07Å; T168-T171 PolarHBondContact O-N 2.85Å; T168-T171 PolarHBondContact O-OG1 2.96Å; T171-T173 VanDerWaalsContact C-N 3.33Å; T171-T173 PolarHBondContact O-N 3.22Å; T171-T174 PolarHBondContact O-N 3.49Å; T171-T174 PolarHBondContact O-OG1 2.82Å; T171-T175 PolarHBondContact O-OG1 2.9Å
172A33.5Very low39.9Very low60 Ų6096.8 Ų96.850%0.49656%0.558SS.*Hα-helixtrans-67.1-30.4177.800000114T168 T175T168-A172 PolarHBondContact O-N 2.81Å; A172-T175 PolarHBondContact O-OG1 2.77Å
173T32.3Very low37.7Very low113 Ų113101.9 Ų101.969%0.69359%0.588SS**THydrogen-bonded Turntrans-81.9-12.7-17731.50000114.2N169 T170 T171N169-T173 PolarHBondContact O-OG1 3.16Å; T170-T173 PolarHBondContact O-OG1 2.84Å; T171-T173 VanDerWaalsContact C-N 3.33Å; T171-T173 PolarHBondContact O-N 3.22Å
174T32.3Very low35.6Very low116 Ų116108.1 Ų108.171%0.71263%0.627SS**THydrogen-bonded Turntrans-90-3.5176.210.80000114T170 T171T170-T174 PolarHBondContact O-OG1 3.06Å; T170-T174 VanDerWaalsContact O-OG1 3.13Å; T171-T174 PolarHBondContact O-N 3.49Å; T171-T174 PolarHBondContact O-OG1 2.82Å
175T29.8Very low33.9Very low109 Ų109112.7 Ų112.767%0.66966%0.657SS**SBendtrans-96.30-177.311.50000116.4T171 A172T171-T175 PolarHBondContact O-OG1 2.9Å; A172-T175 PolarHBondContact O-OG1 2.77Å
176N30Very low32.4Very low145 Ų145115 Ų11578%0.77567%0.674SS**SBendtrans-106.34.7-175.3-90.12.8000117
177N30.4Very low31.2Very low146 Ų146118.7 Ų118.778%0.78170%0.696SS**SBendtrans-133.490.4170.1-78.8-21.2000108.7
178N30.8Very low30.2Very low164 Ų164125.7 Ų125.788%0.87772%0.717SS**  trans175.470.4147.4-84.8-16.7000109.1
179N29.3Very low30Very low155 Ų155127.4 Ų127.483%0.82973%0.729SS**  trans-79.7131154.9-82.6-16.6000108
180N29.4Very low29.9Very low141 Ų141127.7 Ų127.775%0.75474%0.738SS**  trans83.389.4165.3-48.9-16.6000115.9
181N30.4Very low29.7Very low149 Ų149130.3 Ų130.380%0.79776%0.756SS**  -176.3110.5102.7-86.4-18.7000110T183N181-T183 PolarHBondContact O-N 3.44Å
182T25.6Very low29.6Very low144 Ų144131.7 Ų131.788%0.88377%0.766SS**  trans-65.2112.8168.540.40000110.4
183T27Very low29.5Very low125 Ų125137.3 Ų137.377%0.76779%0.787SS**  trans-130.3102.7157.410.60000108.6N181 T185N181-T183 PolarHBondContact O-N 3.44Å; T183-T185 PolarHBondContact O-N 2.91Å
184T24.3Very low29.3Very low137 Ų137138 Ų13884%0.8479%0.791SS**  trans-57.4110.6169.440.50000110.6
185T27.5Very low28.9Very low127 Ų127138.8 Ų138.878%0.77980%0.796SS**  trans-115.4105.2163.335.90000109T183 T187T183-T185 PolarHBondContact O-N 2.91Å; T185-T187 PolarHBondContact O-N 3.28Å
186T26.3Very low28.8Very low124 Ų124139.7 Ų139.776%0.76180%0.802SS**  trans-62.4113.7172.246.30000110.2
187T29.4Very low28.5Very low139 Ų139139 Ų13985%0.85380%0.803SS**  trans-87.3112.5173.841.70000109.9T185T185-T187 PolarHBondContact O-N 3.28Å
188Y26.9Very low28.4Very low209 Ų209137.8 Ų137.882%0.8280%0.801SS**PPolyproline II helixtrans-75.1145.7168.2-84.5-91.1000110.4
189P32.4Very low28.1Very low107 Ų107137.5 Ų137.570%0.69580%0.799SS**PPolyproline II helixtrans-72.7148.1-177.229.3-32.8000112
190P32.7Very low28.1Very low119 Ų119136.4 Ų136.477%0.77380%0.798SS**PPolyproline II helixtrans-74.5144.3-173.830.7-33.6000111.7
191P29.7Very low28.1Very low112 Ų112137.1 Ų137.173%0.72780%0.802SS**PPolyproline II helixtrans-80.2160.517931.2-29.5000112.2
192P31.4Very low27.9Very low124 Ų124136.6 Ų136.681%0.80580%0.799SS**PPolyproline II helixtrans-77.8133.5-166.9-2.319.5000111.9T194P192-T194 PolarHBondContact O-N 2.7Å
193L31.5Very low28.2Very low179 Ų179137.4 Ų137.494%0.93780%0.798SS**  trans-66.8109.2173.8-84.4125.1000110.9
194T27.4Very low28.2Very low126 Ų126138 Ų13877%0.77380%0.797SS**  trans-74.5129.3167.640.70000111.1P192 T196P192-T194 PolarHBondContact O-N 2.7Å; T194-T196 PolarHBondContact O-N 3.39Å
195T24.8Very low28.4Very low134 Ų134139 Ų13982%0.82280%0.797SS**  trans-54.1120.1171.346.10000112.9
196T27.8Very low28.3Very low128 Ų128139 Ų13979%0.78580%0.797SS**  trans-113.6102.7161.333.60000109.5T194 T198T194-T196 PolarHBondContact O-N 3.39Å; T196-T198 PolarHBondContact O-N 2.59Å
197T23.6Very low28.3Very low131 Ų131139.4 Ų139.480%0.80480%0.799SS**  trans-62.3113.6164.341.30000110
198T28.2Very low28.1Very low119 Ų119138.8 Ų138.873%0.7380%0.795SS**  trans-118.9101.5161.747.10000108.9T196 T200T196-T198 PolarHBondContact O-N 2.59Å; T198-T200 PolarHBondContact O-N 2.67Å
199N24.1Very low28Very low158 Ų158134.6 Ų134.685%0.84579%0.792SS**  trans-57.2116.1163.8-76.7-24.2000109.2
200T30.3Very low27.6Very low132 Ų132136.9 Ų136.981%0.8180%0.798SS**  trans-122119.416139.50000109T198T198-T200 PolarHBondContact O-N 2.67Å
201N29.3Very low27.3Very low156 Ų156136.9 Ų136.983%0.83480%0.796SS**  trans-61.3139.7-170.3-78.1-33.9000113.2N203N201-N203 PolarHBondContact O-N 3.26Å
202N26.7Very low27Very low138 Ų138138.2 Ų138.274%0.73880%0.803SS**  trans-46.4122.1160.6-71.7-30.2000111.6
203N30Very low26.8Very low162 Ų162138.4 Ų138.487%0.86680%0.802SS**  trans-124.997151.8-93.9-15.1000108N201 N205N201-N203 PolarHBondContact O-N 3.26Å; N203-N205 PolarHBondContact O-N 2.8Å
204N27.6Very low26.4Very low138 Ų138137.9 Ų137.974%0.73880%0.799SS**  trans-66.7113.1168.7-71.6-25.6000108.8
205N28.5Very low26.3Very low157 Ų157137.1 Ų137.184%0.8480%0.796SS**  trans-122.399.2156.6-91.2-15000108.4N203 T207N203-N205 PolarHBondContact O-N 2.8Å; N205-T207 PolarHBondContact O-N 3.32Å
206T25.9Very low26.3Very low127 Ų127136.1 Ų136.178%0.77979%0.792SS**  trans-69.6111.3171.541.50000110.3
207T26Very low26.2Very low132 Ų132135.6 Ų135.681%0.8179%0.79SS**  trans-110.4100.1160.222.10000108.6N205 T209N205-T207 PolarHBondContact O-N 3.32Å; T207-T209 PolarHBondContact O-N 3.03Å
208T25Very low26.1Very low126 Ų126135.1 Ų135.177%0.77379%0.79SS**  trans-66.7107.2173.343.10000110.5
209T26Very low26Very low121 Ų121134.2 Ų134.274%0.74279%0.788SS**  trans-97.4100.6164.443.20000109.1T207 T211T207-T209 PolarHBondContact O-N 3.03Å; T209-T211 PolarHBondContact O-N 3Å
210N23.5Very low26Very low156 Ų156132.9 Ų132.983%0.83479%0.786SS**  trans-61.6101.2171.3-77.4-19.4000109.5
211T26.4Very low25.6Very low118 Ų118132.1 Ų132.172%0.72478%0.781SS**  trans-101.1102.8165.438.80000108T209 T213T209-T211 PolarHBondContact O-N 3Å; T211-T213 PolarHBondContact O-N 3.16Å
212T23.7Very low25.4Very low141 Ų141131.5 Ų131.587%0.86578%0.778SS**  trans-62.398.7171.327.50000109.2L214T212-L214 PolarHBondContact O-N 3.38Å
213T26.3Very low25.2Very low128 Ų128130.5 Ų130.579%0.78578%0.777SS**  trans-80.5113.6171.342.40000108.7T211T211-T213 PolarHBondContact O-N 3.16Å
214L23.5Very low24.9Very low168 Ų168128.9 Ų128.988%0.8877%0.773SS**PPolyproline II helixtrans-63.4131.3168.2-87.1147.1000108.8T212T212-L214 PolarHBondContact O-N 3.38Å
215P24.8Very low24.8Very low109 Ų109127.6 Ų127.671%0.70877%0.771SS**PPolyproline II helixtrans-69.4147.7-17727.4-31.9000111.1
216P26.2Very low24.5Very low113 Ų113127.8 Ų127.873%0.73477%0.771SS**PPolyproline II helixtrans-66.5150.7-179.628.5-33.7000111.1
217P23.8Very low24.6Very low117 Ų117127.6 Ų127.676%0.7677%0.77SS**PPolyproline II helixtrans-64144.2-17926.5-32.2000110.5S219P217-S219 PolarHBondContact O-N 2.82Å
218P23.4Very low24.5Very low122 Ų122127.2 Ų127.279%0.79277%0.768SS**PPolyproline II helixtrans-63.3128.4-170.525.5-33.7000110.7T220P218-T220 PolarHBondContact O-N 3.03Å
219S24.6Very low24.5Very low99 Ų99128.1 Ų128.169%0.69277%0.768SS**PPolyproline II helixtrans-58.2120.3168.340.80000108.6P217 T221P217-S219 PolarHBondContact O-N 2.82Å; S219-T221 PolarHBondContact O-N 3.17Å
220T24.2Very low24.4Very low130 Ų130129.4 Ų129.480%0.79877%0.771SS**  trans-63.194.4167.844.70000107.6P218 N222P218-T220 PolarHBondContact O-N 3.03Å; T220-N222 VanDerWaalsContact C-N 3.35Å; T220-N222 PolarHBondContact O-N 3.43Å
221T22.5Very low24.4Very low116 Ų116128.5 Ų128.571%0.71277%0.765SS**  trans-63.299.2165.835.80000106.5S219 T223S219-T221 PolarHBondContact O-N 3.17Å; T221-T223 PolarHBondContact O-N 2.75Å
222N25.3Very low24.2Very low144 Ų144131.1 Ų131.177%0.7777%0.77SS**  trans-63.495.6161.7-78.2-13.1000106.2T220 T224T220-N222 VanDerWaalsContact C-N 3.35Å; T220-N222 PolarHBondContact O-N 3.43Å; N222-T224 PolarHBondContact O-N 3.35Å
223T23Very low24.2Very low117 Ų117133.5 Ų133.572%0.71877%0.768SS**  trans-57.1103166.730.80000107.2T221 T225T221-T223 PolarHBondContact O-N 2.75Å; T223-T225 PolarHBondContact O-N 3.42Å
224T23.6Very low24Very low128 Ų128133.1 Ų133.179%0.78577%0.766SS**  trans-63.889.1164.726.40000106.9N222 N226N222-T224 PolarHBondContact O-N 3.35Å; T224-N226 PolarHBondContact O-N 3.29Å
225T23.7Very low23.9Very low111 Ų111132.6 Ų132.668%0.68176%0.764SS**  trans-67.6105.1164.641.40000106.9T223 T227T223-T225 PolarHBondContact O-N 3.42Å; T225-T227 PolarHBondContact O-N 2.72Å
226N23.6Very low24Very low160 Ų160132 Ų13286%0.85676%0.762SS**  trans-53.390165-76.9-24.1000108.4T224T224-N226 PolarHBondContact O-N 3.29Å
227T26.8Very low23.9Very low123 Ų123131.2 Ų131.276%0.75576%0.759SS**  trans-92.1113.8163.435.80000105.9T225T225-T227 PolarHBondContact O-N 2.72Å
228T24.4Very low23.9Very low125 Ų125134.5 Ų134.577%0.76776%0.764SS**  trans-49137.4-179.236.50000111.8D230T228-D230 PolarHBondContact O-N 3.11Å
229N24.3Very low23.9Very low144 Ų144135.8 Ų135.877%0.7776%0.76SS**  trans-50102172-66-36.8000111.7
230D24.3Very low23.8Very low149 Ų149139.1 Ų139.180%0.79777%0.767SS**  trans-11093.4153.2-74.5-34.4000107.5T228 E232T228-D230 PolarHBondContact O-N 3.11Å; D230-E232 PolarHBondContact O-N 3Å
231N24.5Very low23.7Very low136 Ų136141.1 Ų141.173%0.72777%0.765SS**  trans-67.577.9172.8-73.9-43.8000109.5F233N231-F233 PolarHBondContact O-N 3.41Å
232E22.2Very low23.8Very low174 Ų174140.5 Ų140.581%0.81376%0.763SS**  trans-91.794.5161-77.8-167158.800109.4D230 V234D230-E232 PolarHBondContact O-N 3Å; E232-V234 VanDerWaalsContact C-N 3.29Å; E232-V234 PolarHBondContact O-N 2.95Å
233F22.8Very low23.7Very low190 Ų190139.6 Ų139.683%0.83377%0.766SS**  trans-55.786.3166.2-93.9-100000110.3N231 N235N231-F233 PolarHBondContact O-N 3.41Å; F233-N235 PolarHBondContact O-N 2.85Å; F233-N235 VanDerWaalsContact O-N 3.16Å
234V23Very low23.7Very low121 Ų121140 Ų14073%0.73376%0.764SS**  trans-82.793.2163.2-177.40000107.7E232 S236E232-V234 VanDerWaalsContact C-N 3.29Å; E232-V234 PolarHBondContact O-N 2.95Å; V234-S236 VanDerWaalsContact C-N 3.32Å; V234-S236 PolarHBondContact O-N 2.83Å
235N21.6Very low23.8Very low157 Ų157142 Ų14284%0.8476%0.764SS**  trans-69.881175.1-156.215000109.2F233F233-N235 PolarHBondContact O-N 2.85Å; F233-N235 VanDerWaalsContact O-N 3.16Å
236S25.2Very low23.8Very low97 Ų97145 Ų14568%0.67877%0.768SS**  trans-94.797.6169.655.40000109.8V234 Q238V234-S236 VanDerWaalsContact C-N 3.32Å; V234-S236 PolarHBondContact O-N 2.83Å; S236-Q238 PolarHBondContact O-N 2.5Å
237S24.1Very low23.9Very low96 Ų96144 Ų14467%0.67176%0.762SS**  trans-8.1112.9156.444.90000115.1E239S237-E239 VanDerWaalsContact C-N 3.25Å; S237-E239 PolarHBondContact O-N 3.28Å
238Q24.7Very low23.8Very low185 Ų185144.7 Ų144.786%0.86476%0.76SS**  trans-60.886.1161.2-70.4175.1-20.400109.3S236 M240S236-Q238 PolarHBondContact O-N 2.5Å; Q238-M240 PolarHBondContact O-N 3.14Å
239E23.3Very low23.8Very low150 Ų150145 Ų14570%0.70176%0.757SS**  trans-73.690.8156.7-74.8-171.5167.200107.2S237 F241S237-E239 VanDerWaalsContact C-N 3.25Å; S237-E239 PolarHBondContact O-N 3.28Å; E239-F241 WeakPolarHBondContact O-CD2 3.48Å; E239-F241 PolarHBondContact O-N 2.9Å
240M22.1Very low23.9Very low168 Ų168145 Ų14583%0.82876%0.758SS**  trans-54.390.4161-97.9163.871.200107.7Q238 P242Q238-M240 PolarHBondContact O-N 3.14Å; M240-P242 VanDerWaalsContact O-CD 3.25Å; M240-P242 WeakPolarHBondContact O-CD 3.08Å; M240-P242 VanDerWaalsContact O-N 3.13Å
241F22.5Very low24Very low173 Ų173145.3 Ų145.376%0.75975%0.754SS**  trans-58.9113.9160.6-78.2-83000106.5E239 C243E239-F241 WeakPolarHBondContact O-CD2 3.48Å; E239-F241 PolarHBondContact O-N 2.9Å; F241-C243 PolarHBondContact O-N 2.81Å; F241-C243 VanDerWaalsContact O-N 3.08Å
242P24.5Very low24.2Very low103 Ų103146.2 Ų146.267%0.66975%0.754SS**  trans-64.4118.8176-2.316.5000105.8M240 N244M240-P242 VanDerWaalsContact O-CD 3.25Å; M240-P242 WeakPolarHBondContact O-CD 3.08Å; M240-P242 VanDerWaalsContact O-N 3.13Å; P242-N244 PolarHBondContact O-N 2.9Å
243C22.8Very low24.6Very low125 Ų125146.2 Ų146.285%0.84576%0.757SS**  trans-60.682.8162.9-75.30000107.2F241 E245F241-C243 PolarHBondContact O-N 2.81Å; F241-C243 VanDerWaalsContact O-N 3.08Å; C243-E245 PolarHBondContact O-N 2.92Å
244N24.1Very low24.8Very low125 Ų125139.2 Ų139.267%0.66874%0.739SS**  trans-62.1109.7159.9-78.4-14.7000104.8P242 F246P242-N244 PolarHBondContact O-N 2.9Å; N244-F246 HydrophobicContact CB-CD2 4.26Å; N244-F246 HydrophobicContact CB-CE2 4.35Å; N244-F246 PolarHBondContact O-N 3.42Å
245E25.9Very low25Very low170 Ų170139 Ų13979%0.79473%0.734SS**  trans-53.779.3162.5-74.7176140.700108C243 L247C243-E245 PolarHBondContact O-N 2.92Å; E245-L247 PolarHBondContact O-N 2.84Å
246F22.7Very low25.1Very low173 Ų173140.1 Ų140.176%0.75973%0.734SS**  trans-66.880.3150.1-83.2-86000105N244 L248N244-F246 HydrophobicContact CB-CD2 4.26Å; N244-F246 HydrophobicContact CB-CE2 4.35Å; N244-F246 PolarHBondContact O-N 3.42Å; F246-L248 PolarHBondContact O-N 2.92Å
247L25.7Very low25.3Very low140 Ų140143.9 Ų143.973%0.73374%0.738SS**  trans-51.287.4147.5-74.2159.8000104.7E245 N249E245-L247 PolarHBondContact O-N 2.84Å; L247-N249 VanDerWaalsContact C-N 3.3Å; L247-N249 PolarHBondContact O-N 3.43Å
248L25.5Very low25.2Very low137 Ų137147.2 Ų147.272%0.71774%0.743SS**  trans-54.7108.6162.6-90.2108.5000104.5F246 N250F246-L248 PolarHBondContact O-N 2.92Å; L248-N250 PolarHBondContact O-N 2.97Å
249N23.6Very low25.2Very low131 Ų131145.3 Ų145.370%0.70174%0.744SS**  trans-54.386.8165.5-73.2-16.9000106.8L247 E251L247-N249 VanDerWaalsContact C-N 3.3Å; L247-N249 PolarHBondContact O-N 3.43Å; N249-E251 PolarHBondContact O-N 3.19Å
250N26.1Very low25.3Very low146 Ų146144.6 Ų144.678%0.78174%0.743SS**  trans-73.740.5163.3-76-27.3000109.3L248 H252L248-N250 PolarHBondContact O-N 2.97Å; N250-H252 VanDerWaalsContact C-N 3.26Å; N250-H252 PolarHBondContact O-N 3.03Å; N250-H252 VanDerWaalsContact O-N 3.07Å
251E27.1Very low25.4Very low154 Ų154142.1 Ų142.172%0.7274%0.74SS**THydrogen-bonded Turntrans-7688163.4-69.6-171.9164.100105.7N249N249-E251 PolarHBondContact O-N 3.19Å
252H29.2Very low25.5Very low155 Ų155140.9 Ų140.972%0.71874%0.74SS**THydrogen-bonded Turntrans165.27.9143.5-86.4-52.7000115.8N250N250-H252 VanDerWaalsContact C-N 3.26Å; N250-H252 PolarHBondContact O-N 3.03Å; N250-H252 VanDerWaalsContact O-N 3.07Å
253I29.4Very low25.5Very low174 Ų174141.4 Ų141.489%0.89274%0.737SS**SBendtrans-129.974.3173-48.9177.4000110
254G27.9Very low25.7Very low43 Ų43138.3 Ų138.344%0.44372%0.716SS.*  trans167.110.8174.300000116H256 F257G254-H256 PolarHBondContact O-N 3.5Å; G254-F257 WeakPolarHBondContact O-CD2 3.34Å
255D26.4Very low26Very low117 Ų117136.2 Ų136.263%0.62671%0.705SS**  trans-56.6134.6178.4-75.1-37.5000111.1
256H24.8Very low26.3Very low181 Ų181135 Ų13584%0.83870%0.699SS**  trans98.243.6176.8-45-33.4000117.6G254 Q258G254-H256 PolarHBondContact O-N 3.5Å; H256-Q258 PolarHBondContact O-N 2.93Å; H256-Q258 VanDerWaalsContact O-N 3.09Å
257F28.2Very low26.7Very low176 Ų176132.1 Ų132.177%0.77269%0.691SS**  trans-7589.2154.8-74.2-82.4000110.3G254 T259G254-F257 WeakPolarHBondContact O-CD2 3.34Å; F257-T259 PolarHBondContact O-N 3.39Å
258Q23.9Very low27Very low166 Ų166128.6 Ų128.678%0.77667%0.672SS**  trans-60.2117.7164.6-71.9-178.1-1000108.9H256 I260H256-Q258 PolarHBondContact O-N 2.93Å; H256-Q258 VanDerWaalsContact O-N 3.09Å; Q258-I260 PolarHBondContact O-N 2.95Å
259T23.5Very low27.3Very low144 Ų144128.3 Ų128.388%0.88367%0.667SS**  trans-60.197.6168.742.60000109.7F257F257-T259 PolarHBondContact O-N 3.39Å
260I24.8Very low27.7Very low135 Ų135126.9 Ų126.969%0.69266%0.66SS**PPolyproline II helixtrans-83.5140.1170.6-63.3173.2000108.3Q258Q258-I260 PolarHBondContact O-N 2.95Å
261P24.4Very low28.2Very low116 Ų116123.3 Ų123.375%0.75364%0.643SS**PPolyproline II helixtrans-66.8142-165.8-13.828000112.5I263P261-I263 PolarHBondContact O-N 3.43Å
262L24.9Very low28.6Very low147 Ų147120.3 Ų120.377%0.7763%0.631SS**PPolyproline II helixtrans-54129.2174.3-76.995.9000110.6S264L262-S264 PolarHBondContact O-N 2.97Å; L262-S264 VanDerWaalsContact O-N 3.16Å
263I25.4Very low28.8Very low115 Ų115118.1 Ų118.159%0.5962%0.624SS**PPolyproline II helixtrans-56119.8154.9-61.2169.3000105.5P261 N265P261-I263 PolarHBondContact O-N 3.43Å; I263-N265 PolarHBondContact O-N 3.41Å
264S26.9Very low29.2Very low60 Ų60118.7 Ų118.742%0.4262%0.62SS.*PPolyproline II helixtrans-59130.6-174.951.20000110.3L262 E266 L267L262-S264 PolarHBondContact O-N 2.97Å; L262-S264 VanDerWaalsContact O-N 3.16Å; S264-E266 PolarHBondContact O-N 3.09Å; S264-L267 PolarHBondContact O-N 3.44Å; S264-L267 VanDerWaalsContact O-N 3.11Å
265N30.1Very low29.7Very low81 Ų81121.6 Ų121.643%0.43363%0.625SS.*Hα-helixtrans-54.3-21.8178.3-71.8-34.1000112.9Q129 I263 L267 I268 E269Q129-N265 PolarHBondContact NE2-OD1 3.4Å; I263-N265 PolarHBondContact O-N 3.41Å; N265-L267 PolarHBondContact O-N 2.78Å; N265-I268 PolarHBondContact O-N 3.24Å; N265-E269 PolarHBondContact O-N 2.93Å; N265-E269 VanDerWaalsContact O-N 3.07Å
266E32.5Very low30.5Very low143 Ų143126.7 Ų126.767%0.66864%0.636SS**Hα-helixtrans-59.8-29.7177.6-73.8-177.1153.800113.7S264 N270S264-E266 PolarHBondContact O-N 3.09Å; E266-N270 WeakPolarHBondContact O-CB 3.36Å; E266-N270 PolarHBondContact O-N 2.99Å; E266-N270 PolarHBondContact O-ND2 2.98Å
267L31.5Very low31.2Very low113 Ų113125.1 Ų125.159%0.59263%0.633SS**Hα-helixtrans-73.2-33.1174.4-86.9156.5000111.9S264 N265 V271S264-L267 PolarHBondContact O-N 3.44Å; S264-L267 VanDerWaalsContact O-N 3.11Å; N265-L267 PolarHBondContact O-N 2.78Å; L267-V271 WeakPolarHBondContact O-CG2 3.27Å
268I31.2Very low32.1Very low66 Ų66118.2 Ų118.234%0.33861%0.607SS.*Hα-helixtrans-76.5-43.4-177.6-61.8172.6000110.8N265 I272N265-I268 PolarHBondContact O-N 3.24Å; I268-I272 HydrophobicContact CG2-CD1 4.16Å; I268-I272 WeakPolarHBondContact O-CD1 3.43Å; I268-I272 WeakPolarHBondContact O-CG1 3.38Å
269E31.9Very low33.7Very low131 Ų131117.3 Ų117.361%0.61261%0.606SS**Hα-helixtrans-71.6-35.9-178.7-74.2-177.1169.900112.7N265 V271 I272 I273N265-E269 PolarHBondContact O-N 2.93Å; N265-E269 VanDerWaalsContact O-N 3.07Å; E269-V271 PolarHBondContact O-N 3.01Å; E269-I272 PolarHBondContact O-N 3.23Å; E269-I273 WeakPolarHBondContact O-CG1 3.47Å; E269-I273 PolarHBondContact O-N 3.25Å
270N31.3Very low35.4Very low101 Ų101110.8 Ų110.854%0.5457%0.565SS.*Hα-helixtrans-73.9-26.6-176.9-78-45.1000114.2E266E266-N270 WeakPolarHBondContact O-CB 3.36Å; E266-N270 PolarHBondContact O-N 2.99Å; E266-N270 PolarHBondContact O-ND2 2.98Å
271V36.3Very low37.6Very low72 Ų72106.3 Ų106.344%0.43655%0.545SS..Hα-helixtrans-74.7-36.3175.9174.60000111L267 E269 I273L267-V271 WeakPolarHBondContact O-CG2 3.27Å; E269-V271 PolarHBondContact O-N 3.01Å; V271-I273 PolarHBondContact O-N 3.02Å
272I35.2Very low40.5Very low91 Ų91100.9 Ų100.947%0.46751%0.51SS..Hα-helixtrans-71.8-31.7-177.5-63.7170.2000111.9I268 E269I268-I272 HydrophobicContact CG2-CD1 4.16Å; I268-I272 WeakPolarHBondContact O-CD1 3.43Å; I268-I272 WeakPolarHBondContact O-CG1 3.38Å; E269-I272 PolarHBondContact O-N 3.23Å
273I35.2Very low43.7Very low109 Ų10994.4 Ų94.456%0.55948%0.476SS*.Hα-helixtrans-80.3-25.6-171.1-66.3170.1000113.3E269 V271E269-I273 WeakPolarHBondContact O-CG1 3.47Å; E269-I273 PolarHBondContact O-N 3.25Å; V271-I273 PolarHBondContact O-N 3.02Å
274K37.2Very low47.1Very low186 Ų18689 Ų8981%0.80945%0.448SS*.SBendtrans-89.5-13.5-166.1-83.9-174.1176.3178.50116.8
275D38.9Very low50.5Low103 Ų10386.1 Ų86.155%0.55143%0.428SS*.  trans-133.373.6-178.1-142.2-9.7000112.2N277 S278D275-N277 PolarHBondContact O-N 2.94Å; D275-S278 VanDerWaalsContact O-CB 3.26Å; D275-S278 WeakPolarHBondContact O-CB 2.95Å; D275-S278 PolarHBondContact O-N 3.19Å; D275-S278 PolarHBondContact O-OG 2.63Å
276R42.3Very low53.7Low225 Ų22582.5 Ų82.585%0.84941%0.408SS*.THydrogen-bonded Turntrans-66.4-3.7-176.7-72.7-172.5179.5-166.6-0.8114.9
277N40.5Very low56.8Low147 Ų14775.7 Ų75.779%0.78638%0.377SS*.THydrogen-bonded Turntrans-104.412.9170.1-78.2-8.7000112.6D275 I279D275-N277 PolarHBondContact O-N 2.94Å; N277-I279 PolarHBondContact O-N 3.1Å
278S46.6Very low60Low32 Ų3271.8 Ų71.822%0.22436%0.363CS..  trans-63.5101.1-178.577.80000110.7D275 I280D275-S278 VanDerWaalsContact O-CB 3.26Å; D275-S278 WeakPolarHBondContact O-CB 2.95Å; D275-S278 PolarHBondContact O-N 3.19Å; D275-S278 PolarHBondContact O-OG 2.63Å; S278-I280 PolarHBondContact O-N 3.28Å
279I57Low63Low147 Ų14769.3 Ų69.375%0.75435%0.352SS*.  trans-50.4128.9165.4-63164.4000106.8N277 P281N277-I279 PolarHBondContact O-N 3.1Å; I279-P281 VanDerWaalsContact O-N 3.11Å
280I60.2Low66Low6 Ų663.8 Ų63.83%0.03133%0.33CS..  trans-51.6124.8170.1-65.5172.1000106.4S278 L282 L302 F310 Q314S278-I280 PolarHBondContact O-N 3.28Å; I280-L282 VanDerWaalsContact CG2-O 3.25Å; I280-L282 WeakPolarHBondContact CG2-O 3.08Å; I280-L282 PolarHBondContact O-N 3.01Å; I280-L302 HydrophobicContact CD1-CB 4.41Å; I280-L302 HydrophobicContact CD1-CD1 3.75Å; I280-L302 HydrophobicContact CD1-CD2 3.76Å; I280-L302 HydrophobicContact CD1-CG 4.17Å; I280-L302 HydrophobicContact CG1-CD2 4.41Å; I280-F310 HydrophobicContact CD1-CD1 4.33Å; I280-F310 HydrophobicContact CD1-CE1 3.36Å; I280-F310 HydrophobicContact CD1-CZ 3.53Å; I280-F310 HydrophobicContact CG1-CE1 3.8Å; I280-F310 HydrophobicContact CG1-CZ 4.12Å; I280-Q314 HydrophobicContact CD1-CB 3.98Å; I280-Q314 HydrophobicContact CD1-CG 3.77Å
281P70Confident68.9Low41 Ų4161.1 Ų61.127%0.26632%0.316SS..SBendtrans-62.2-25.3-166.322.9-34000112.6L160 M164 I279L160-P281 HydrophobicContact CB-CG 4.44Å; L160-P281 HydrophobicContact CD2-CG 4.07Å; M164-P281 HydrophobicContact CG-CG 3.94Å; I279-P281 VanDerWaalsContact O-N 3.11Å
282L86.1Confident71.5Confident2 Ų257.7 Ų57.71%0.0130%0.295CS..SBendtrans-141.7131.6-178.6-63.4173000110.8L160 F163 I280 N375 Q402 I403L160-L282 HydrophobicContact CD2-CB 4.15Å; F163-L282 HydrophobicContact CD1-CD1 4.37Å; I280-L282 VanDerWaalsContact CG2-O 3.25Å; I280-L282 WeakPolarHBondContact CG2-O 3.08Å; I280-L282 PolarHBondContact O-N 3.01Å; L282-N375 HydrophobicContact CD2-CB 3.38Å; L282-Q402 HydrophobicContact CD2-CB 4.21Å; L282-Q402 HydrophobicContact CD2-CG 4.44Å; L282-I403 HydrophobicContact CD1-CD1 3.34Å; L282-I403 HydrophobicContact CD1-CG1 3.86Å
283K92.4Very high74.1Confident12 Ų1255 Ų555%0.05228%0.279CS..EExtended strand (participates in β ladder)trans-62.8157.1162.7-72.9-175.7175.9170.90109.3E312 Q314 F370 T371 T374 N375 Y376 L377K283-E312 IonicContact NZ-OE2 3.93Å; K283-E312 PolarHBondContact NZ-OE2 2.99Å; K283-Q314 CarbonylContact C-O 3.6Å; K283-Q314 WeakPolarHBondContact CA-O 3.49Å; K283-F370 PolarHBondContact NZ-O 2.77Å; K283-T371 HydrophobicContact CD-CG2 4.19Å; K283-T371 PolarHBondContact NZ-O 3.48Å; K283-T374 WeakPolarHBondContact CD-OG1 3.23Å; K283-N375 PolarHBondContact N-O 3.46Å; K283-Y376 CarbonylContact O-C 3.52Å; K283-Y376 WeakPolarHBondContact O-CA 3.37Å; K283-Y376 WeakPolarHBondContact O-CB 3.37Å; K283-L377 PolarHBondContact O-N 3.45Å
284I95.7Very high76.8Confident1 Ų150.1 Ų50.11%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-114.8126.5-179.9-60.5171.7000109.6I156 L160 I298 Q314 I315 I316 L377 L379I156-I284 HydrophobicContact CG2-CD1 3.95Å; L160-I284 HydrophobicContact CD1-CD1 4.5Å; I284-I298 HydrophobicContact CD1-CG2 3.71Å; I284-Q314 PolarHBondContact N-O 3.29Å; I284-I315 HydrophobicContact CB-CG1 4.29Å; I284-I315 HydrophobicContact CB-CG2 4.39Å; I284-I315 HydrophobicContact CG2-CG2 4.42Å; I284-I315 CarbonylContact O-C 3.52Å; I284-I315 VanDerWaalsContact O-CA 3.29Å; I284-I315 WeakPolarHBondContact O-CA 3.22Å; I284-I316 PolarHBondContact O-N 2.97Å; I284-L377 HydrophobicContact CG2-CD2 4.45Å; I284-L379 HydrophobicContact CG2-CB 4.29Å; I284-L379 HydrophobicContact CG2-CD2 4.02Å
285I97.7Very high79.5Confident0 Ų041.3 Ų41.30%022%0.216CC..EExtended strand (participates in β ladder)trans-111.1103.3176.4-46.8-57.6000108.8I287 I316 V318 L367 T371 Y376 L377 L378 L379I285-I287 HydrophobicContact CG2-CD1 3.71Å; I285-I287 HydrophobicContact CG2-CG1 4.31Å; I285-I316 CarbonylContact C-O 3.57Å; I285-I316 WeakPolarHBondContact CA-O 3.33Å; I285-I316 HydrophobicContact CD1-CB 3.72Å; I285-I316 HydrophobicContact CD1-CD1 3.58Å; I285-I316 HydrophobicContact CD1-CG1 3.85Å; I285-V318 HydrophobicContact CG2-CG2 4.44Å; I285-L367 HydrophobicContact CD1-CD2 4.21Å; I285-L367 HydrophobicContact CG2-CD1 4.04Å; I285-L367 HydrophobicContact CG2-CD2 3.8Å; I285-T371 HydrophobicContact CD1-CG2 4.09Å; I285-Y376 HydrophobicContact CB-CD2 4.13Å; I285-Y376 HydrophobicContact CB-CE2 4.37Å; I285-Y376 HydrophobicContact CD1-CD2 4.44Å; I285-Y376 HydrophobicContact CD1-CG 4.34Å; I285-Y376 HydrophobicContact CG1-CD1 4.32Å; I285-Y376 HydrophobicContact CG1-CD2 3.28Å; I285-Y376 HydrophobicContact CG1-CE2 3.72Å; I285-Y376 HydrophobicContact CG1-CG 3.61Å; I285-L377 PolarHBondContact N-O 3.5Å; I285-L378 HydrophobicContact CB-CD1 3.94Å; I285-L378 HydrophobicContact CG2-CD1 3.94Å; I285-L379 WeakPolarHBondContact O-CA 3.23Å; I285-L379 PolarHBondContact O-N 3.05Å; I285-L379 VanDerWaalsContact O-O 3.12Å
286D98.1Very high81.9Confident4 Ų436.4 Ų36.42%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-93.599.9-179-178.617.1000110.4S289 S295 I316 S317 V318 L379D286-S289 WeakPolarHBondContact OD2-CB 3.36Å; D286-S295 VanDerWaalsContact CB-OG 3.3Å; D286-S295 WeakPolarHBondContact CB-OG 3.49Å; D286-S295 PolarHBondContact OD2-OG 3.38Å; D286-I316 PolarHBondContact N-O 3.4Å; D286-S317 CarbonylContact O-C 3.39Å; D286-S317 WeakPolarHBondContact O-CA 3.48Å; D286-V318 PolarHBondContact O-N 3.01Å; D286-L379 HydrophobicContact CB-CD2 4.32Å
287I98.2Very high83.9Confident1 Ų126.6 Ų26.61%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-87.6133.4-178.7-56.6-60.9000110.7I285 V318 V355 L378 L379 C383 L387 M391I285-I287 HydrophobicContact CG2-CD1 3.71Å; I285-I287 HydrophobicContact CG2-CG1 4.31Å; I287-V318 HydrophobicContact CD1-CB 3.74Å; I287-V318 HydrophobicContact CD1-CG1 4.35Å; I287-V318 HydrophobicContact CD1-CG2 3.52Å; I287-V355 HydrophobicContact CD1-CG2 4.48Å; I287-V355 HydrophobicContact CG2-CG2 3.97Å; I287-L378 HydrophobicContact CD1-CD1 4.19Å; I287-L378 HydrophobicContact CG1-CD1 3.61Å; I287-L379 PolarHBondContact N-O 2.94Å; I287-C383 PolarHBondContact O-SG 2.9Å; I287-L387 HydrophobicContact CG2-CD1 3.73Å; I287-L387 HydrophobicContact CG2-CD2 4.39Å; I287-L387 HydrophobicContact CG2-CG 4.27Å; I287-M391 HydrophobicContact CB-CE 3.76Å; I287-M391 HydrophobicContact CB-CG 4.09Å; I287-M391 HydrophobicContact CB-SD 3.6Å; I287-M391 HydrophobicContact CG1-CE 3.83Å; I287-M391 HydrophobicContact CG1-CG 4.18Å; I287-M391 HydrophobicContact CG1-SD 4.15Å; I287-M391 HydrophobicContact CG2-CE 4.5Å; I287-M391 HydrophobicContact CG2-CG 3.83Å; I287-M391 HydrophobicContact CG2-SD 3.72Å
288G96.9Very high86.2Confident30 Ų3019.8 Ų19.831%0.30912%0.116SC..THydrogen-bonded Turntrans74.336.4-17700000112.1G290 V318G288-G290 PolarHBondContact O-N 2.78Å; G288-G290 VanDerWaalsContact O-N 3.16Å; G288-V318 PolarHBondContact N-O 2.74Å
289S95.5Very high88.2Confident15 Ų1518.3 Ų18.311%0.10511%0.106CC..  trans-67.8-14.3-169.265.10000114.9D286 L291 G292 S317 V318 R350D286-S289 WeakPolarHBondContact OD2-CB 3.36Å; S289-L291 PolarHBondContact O-N 3.09Å; S289-G292 WeakPolarHBondContact O-CA 3.37Å; S289-G292 PolarHBondContact O-N 2.65Å; S289-S317 VanDerWaalsContact OG-CB 3.31Å; S289-S317 WeakPolarHBondContact OG-CB 3.35Å; S289-V318 PolarHBondContact N-O 2.7Å; S289-V318 PolarHBondContact OG-O 2.89Å; S289-V318 VanDerWaalsContact OG-O 3.09Å; S289-R350 PolarHBondContact OG-NH1 3.39Å
290G94Very high89.4Confident15 Ų1512.9 Ų12.916%0.1558%0.076CC..THydrogen-bonded Turntrans56.3-123.4178.200000112.5G288 G292 E319G288-G290 PolarHBondContact O-N 2.78Å; G288-G290 VanDerWaalsContact O-N 3.16Å; G290-G292 PolarHBondContact O-N 3Å; G290-E319 WeakPolarHBondContact CA-OE2 3.47Å; G290-E319 PolarHBondContact N-OE2 3.05Å
291L92.1Very high90.3Very high45 Ų4513 Ų1324%0.2368%0.076CC..THydrogen-bonded Turntrans-74.5-2.2176.1-70.2174.9000114S289 Y293 L324 K327 N331S289-L291 PolarHBondContact O-N 3.09Å; L291-Y293 HydrophobicContact CB-CD2 3.73Å; L291-Y293 HydrophobicContact CB-CE2 3.37Å; L291-Y293 HydrophobicContact CD1-CE2 3.66Å; L291-Y293 HydrophobicContact CG-CE2 4.16Å; L291-Y293 PolarHBondContact O-N 3.27Å; L291-L324 HydrophobicContact CD2-CD2 3.89Å; L291-L324 HydrophobicContact CG-CD2 4.08Å; L291-K327 HydrophobicContact CD2-CB 3.49Å; L291-K327 VanDerWaalsContact CD2-CB 3.49Å; L291-K327 HydrophobicContact CD2-CD 4.19Å; L291-K327 HydrophobicContact CD2-CG 4.47Å; L291-N331 PolarHBondContact O-ND2 2.72Å
292G91.7Very high90.9Very high0 Ų011.4 Ų11.40%07%0.066CC..  trans82.511.3167.300000117.3S289 G290 L294 S295 N296 R350S289-G292 WeakPolarHBondContact O-CA 3.37Å; S289-G292 PolarHBondContact O-N 2.65Å; G290-G292 PolarHBondContact O-N 3Å; G292-L294 VanDerWaalsContact C-N 3.32Å; G292-L294 PolarHBondContact O-N 2.79Å; G292-S295 PolarHBondContact O-N 3.05Å; G292-N296 VanDerWaalsContact O-CG 3.32Å; G292-N296 PolarHBondContact O-N 3.05Å; G292-N296 PolarHBondContact O-OD1 2.94Å; G292-R350 VanDerWaalsContact CA-CZ 3.46Å; G292-R350 PolarHBondContact O-NH2 3Å
293Y90Very high90.6Very high34 Ų3411.7 Ų11.713%0.1337%0.067CC..Hα-helixtrans-57.7-40.3-176.4-64.7-78000113.8L139 M141 K145 L291 N296 Y297L139-Y293 HydrophobicContact CB-CE1 3.93Å; L139-Y293 HydrophobicContact CD1-CD1 3.95Å; L139-Y293 HydrophobicContact CD1-CE1 3.55Å; L139-Y293 HydrophobicContact CG-CE1 4.4Å; M141-Y293 HydrophobicContact CE-CD1 3.68Å; M141-Y293 HydrophobicContact CE-CE1 4.09Å; M141-Y293 HydrophobicContact CE-CG 4.39Å; K145-Y293 HydrophobicContact CD-CD2 4.31Å; L291-Y293 HydrophobicContact CB-CD2 3.73Å; L291-Y293 HydrophobicContact CB-CE2 3.37Å; L291-Y293 HydrophobicContact CD1-CE2 3.66Å; L291-Y293 HydrophobicContact CG-CE2 4.16Å; L291-Y293 PolarHBondContact O-N 3.27Å; Y293-N296 PolarHBondContact O-N 2.78Å; Y293-Y297 VanDerWaalsContact O-CB 3.25Å; Y293-Y297 WeakPolarHBondContact O-CB 3.36Å; Y293-Y297 PolarHBondContact O-N 2.84Å
294L91.7Very high89.8Confident7 Ų715.4 Ų15.44%0.0379%0.087CC..Hα-helixtrans-65.8-54.1-179.4-17959.1000111.6L149 I152 G292 N296 Y297 I298 L379 L381L149-L294 HydrophobicContact CD2-CB 3.57Å; L149-L294 HydrophobicContact CD2-CD1 3.71Å; L149-L294 HydrophobicContact CD2-CG 4.2Å; I152-L294 HydrophobicContact CB-CD1 4.33Å; I152-L294 HydrophobicContact CG2-CD1 3.85Å; I152-L294 HydrophobicContact CG2-CD2 4.13Å; G292-L294 VanDerWaalsContact C-N 3.32Å; G292-L294 PolarHBondContact O-N 2.79Å; L294-N296 VanDerWaalsContact C-N 3.28Å; L294-N296 PolarHBondContact O-N 2.85Å; L294-Y297 WeakPolarHBondContact O-CB 3.49Å; L294-Y297 PolarHBondContact O-N 3.37Å; L294-Y297 VanDerWaalsContact O-N 3.1Å; L294-I298 HydrophobicContact CD1-CD1 3.78Å; L294-I298 HydrophobicContact CD1-CG1 4.14Å; L294-I298 HydrophobicContact CG-CD1 3.81Å; L294-I298 WeakPolarHBondContact O-CG1 3.43Å; L294-I298 PolarHBondContact O-N 3.06Å; L294-L379 HydrophobicContact CD2-CD2 3.67Å; L294-L379 HydrophobicContact CD2-CG 4.22Å; L294-L379 HydrophobicContact CG-CD2 4.24Å; L294-L381 HydrophobicContact CD2-CB 3.89Å; L294-L381 HydrophobicContact CD2-CD2 3.94Å
295S93.1Very high88.9Confident0 Ų018.9 Ų18.90%011%0.106CC..Hα-helixtrans-53.5-43.1174-710000112.9D286 G292 G299 I315 S317D286-S295 VanDerWaalsContact CB-OG 3.3Å; D286-S295 WeakPolarHBondContact CB-OG 3.49Å; D286-S295 PolarHBondContact OD2-OG 3.38Å; G292-S295 PolarHBondContact O-N 3.05Å; S295-G299 PolarHBondContact O-N 3.08Å; S295-I315 WeakPolarHBondContact O-CD1 2.95Å; S295-S317 WeakPolarHBondContact CB-OG 3.35Å; S295-S317 WeakPolarHBondContact OG-CB 3.33Å; S295-S317 PolarHBondContact OG-OG 3.32Å
296N89.2Confident87.8Confident0 Ų021.8 Ų21.80%012%0.117CC..Hα-helixtrans-66.7-42.3177.1-69.22.3000111.6Y137 G292 Y293 L294 G299 Y300 L332 Y335 L344 R350Y137-N296 PolarHBondContact OH-O 3.3Å; G292-N296 VanDerWaalsContact O-CG 3.32Å; G292-N296 PolarHBondContact O-N 3.05Å; G292-N296 PolarHBondContact O-OD1 2.94Å; Y293-N296 PolarHBondContact O-N 2.78Å; L294-N296 VanDerWaalsContact C-N 3.28Å; L294-N296 PolarHBondContact O-N 2.85Å; N296-G299 PolarHBondContact O-N 2.84Å; N296-Y300 PolarHBondContact O-N 3.43Å; N296-L332 WeakPolarHBondContact OD1-CD1 3.43Å; N296-Y335 HydrophobicContact CB-CD2 4.4Å; N296-Y335 HydrophobicContact CB-CE2 4.13Å; N296-L344 HydrophobicContact CB-CD1 4.18Å; N296-R350 PolarHBondContact OD1-NH2 3.02Å
297Y85.8Confident86.7Confident19 Ų1922.7 Ų22.78%0.07513%0.127CC..Hα-helixtrans-61.4-48.3178.4-171.5-87.1000111.4Y137 S153 Y293 L294 Y300 Q301Y137-Y297 AromaticContact CD1-CD2 3.51Å; Y137-Y297 HydrophobicContact CD1-CD2 3.51Å; Y137-Y297 AromaticContact CD1-CE2 3.9Å; Y137-Y297 HydrophobicContact CD1-CE2 3.9Å; Y137-Y297 AromaticContact CE1-CD2 3.54Å; Y137-Y297 HydrophobicContact CE1-CD2 3.54Å; Y137-Y297 HydrophobicContact CE1-CE2 4.33Å; Y137-Y297 HydrophobicContact CE1-CG 4.19Å; S153-Y297 VanDerWaalsContact CB-CE1 3.48Å; S153-Y297 WeakPolarHBondContact OG-CE1 3.21Å; Y293-Y297 VanDerWaalsContact O-CB 3.25Å; Y293-Y297 WeakPolarHBondContact O-CB 3.36Å; Y293-Y297 PolarHBondContact O-N 2.84Å; L294-Y297 WeakPolarHBondContact O-CB 3.49Å; L294-Y297 PolarHBondContact O-N 3.37Å; L294-Y297 VanDerWaalsContact O-N 3.1Å; Y297-Y300 PolarHBondContact O-N 3.2Å; Y297-Q301 HydrophobicContact CD1-CG 4.23Å; Y297-Q301 HydrophobicContact CE1-CG 4Å; Y297-Q301 WeakPolarHBondContact O-CG 3.26Å; Y297-Q301 PolarHBondContact O-N 2.8Å; Y297-Q301 VanDerWaalsContact O-N 3.11Å
298I88.3Confident85.4Confident5 Ų524 Ų243%0.02613%0.134CC..Hα-helixtrans-64.2-44.9177.1-60.8163.6000110.5I156 I284 L294 Y300 Q301 L302 I315 L379I156-I298 HydrophobicContact CD1-CD1 3.48Å; I156-I298 VanDerWaalsContact CD1-CD1 3.48Å; I156-I298 HydrophobicContact CD1-CG1 4.38Å; I284-I298 HydrophobicContact CD1-CG2 3.71Å; L294-I298 HydrophobicContact CD1-CD1 3.78Å; L294-I298 HydrophobicContact CD1-CG1 4.14Å; L294-I298 HydrophobicContact CG-CD1 3.81Å; L294-I298 WeakPolarHBondContact O-CG1 3.43Å; L294-I298 PolarHBondContact O-N 3.06Å; I298-Y300 VanDerWaalsContact C-N 3.26Å; I298-Y300 PolarHBondContact O-N 3.04Å; I298-Q301 WeakPolarHBondContact O-CB 3.33Å; I298-Q301 PolarHBondContact O-N 3.1Å; I298-L302 HydrophobicContact CG2-CD1 4.15Å; I298-L302 HydrophobicContact CG2-CG 4.28Å; I298-L302 WeakPolarHBondContact O-CG 3.5Å; I298-L302 PolarHBondContact O-N 3.35Å; I298-I315 HydrophobicContact CB-CD1 3.87Å; I298-I315 HydrophobicContact CG2-CD1 3.75Å; I298-L379 HydrophobicContact CD1-CD2 3.99Å
299G88Confident84.2Confident0 Ų030.9 Ų30.90%016%0.156CC..Hα-helixtrans-56.2-42179.500000112.3S295 N296 L302 I303 I315 I347S295-G299 PolarHBondContact O-N 3.08Å; N296-G299 PolarHBondContact O-N 2.84Å; G299-L302 PolarHBondContact O-N 2.97Å; G299-I303 WeakPolarHBondContact O-CG1 3.17Å; G299-I303 PolarHBondContact O-N 3.16Å; G299-I315 VanDerWaalsContact N-CD1 3.3Å; G299-I347 WeakPolarHBondContact O-CD1 3.38Å
300Y82Confident83.3Confident33 Ų3331.6 Ų31.613%0.12916%0.157CC..Hα-helixtrans-67.6-41.1174.7177.7-103.1000113.6L133 Y137 N296 Y297 I298 L302 I303 L304 F339L133-Y300 HydrophobicContact CD2-CD1 4.35Å; L133-Y300 HydrophobicContact CD2-CE1 3.71Å; Y137-Y300 AromaticContact CD2-CD1 3.56Å; Y137-Y300 HydrophobicContact CD2-CD1 3.56Å; Y137-Y300 HydrophobicContact CD2-CD2 4.37Å; Y137-Y300 AromaticContact CD2-CE1 3.54Å; Y137-Y300 HydrophobicContact CD2-CE1 3.54Å; Y137-Y300 HydrophobicContact CD2-CE2 4.38Å; Y137-Y300 AromaticContact CD2-CG 3.98Å; Y137-Y300 HydrophobicContact CD2-CG 3.98Å; Y137-Y300 AromaticContact CD2-CZ 3.99Å; Y137-Y300 AromaticContact CE2-CD1 3.18Å; Y137-Y300 HydrophobicContact CE2-CD1 3.18Å; Y137-Y300 AromaticContact CE2-CD2 3.57Å; Y137-Y300 HydrophobicContact CE2-CD2 3.57Å; Y137-Y300 AromaticContact CE2-CE1 3.61Å; Y137-Y300 HydrophobicContact CE2-CE1 3.61Å; Y137-Y300 AromaticContact CE2-CE2 3.98Å; Y137-Y300 HydrophobicContact CE2-CE2 3.98Å; Y137-Y300 AromaticContact CE2-CG 3.14Å; Y137-Y300 HydrophobicContact CE2-CG 3.14Å; Y137-Y300 HydrophobicContact CG-CD1 4.45Å; Y137-Y300 VanDerWaalsContact CZ-CB 3.48Å; Y137-Y300 AromaticContact CZ-CD1 3.79Å; Y137-Y300 AromaticContact CZ-CG 3.64Å; Y137-Y300 WeakPolarHBondContact OH-CB 3.37Å; N296-Y300 PolarHBondContact O-N 3.43Å; Y297-Y300 PolarHBondContact O-N 3.2Å; I298-Y300 VanDerWaalsContact C-N 3.26Å; I298-Y300 PolarHBondContact O-N 3.04Å; Y300-L302 PolarHBondContact O-N 2.72Å; Y300-I303 PolarHBondContact O-N 3.19Å; Y300-L304 HydrophobicContact CD1-CD1 3.85Å; Y300-L304 HydrophobicContact CD1-CG 4.27Å; Y300-L304 HydrophobicContact CE1-CD1 3.28Å; Y300-L304 HydrophobicContact CE1-CD2 4.47Å; Y300-L304 HydrophobicContact CE1-CG 3.9Å; Y300-L304 HydrophobicContact CE2-CD2 4.41Å; Y300-L304 HydrophobicContact CE2-CG 4.35Å; Y300-L304 WeakPolarHBondContact O-CG 3.42Å; Y300-L304 PolarHBondContact O-N 2.89Å; Y300-F339 AromaticContact CE2-CD1 3.8Å; Y300-F339 HydrophobicContact CE2-CD1 3.8Å; Y300-F339 HydrophobicContact CE2-CE1 4.13Å; Y300-F339 HydrophobicContact CE2-CG 4.02Å
301Q80.4Confident82.4Confident8 Ų837.5 Ų37.54%0.03719%0.191CC..Hα-helixtrans-57.8-40.8173.5-69.2-62.6-40.300111.7L133 Y297 I298 L304 N305L133-Q301 VanDerWaalsContact CD2-NE2 3.3Å; Y297-Q301 HydrophobicContact CD1-CG 4.23Å; Y297-Q301 HydrophobicContact CE1-CG 4Å; Y297-Q301 WeakPolarHBondContact O-CG 3.26Å; Y297-Q301 PolarHBondContact O-N 2.8Å; Y297-Q301 VanDerWaalsContact O-N 3.11Å; I298-Q301 WeakPolarHBondContact O-CB 3.33Å; I298-Q301 PolarHBondContact O-N 3.1Å; Q301-L304 PolarHBondContact O-N 3.24Å; Q301-N305 WeakPolarHBondContact O-CB 3.49Å; Q301-N305 VanDerWaalsContact O-CG 3.22Å; Q301-N305 PolarHBondContact O-N 3Å
302L81.8Confident82Confident8 Ų839.5 Ų39.54%0.04220%0.199CC..Hα-helixtrans-64-42.7176.7-67.2173.3000111.6I280 I298 G299 Y300 L304 N305 Y306 F310 Q314 I315 I347I280-L302 HydrophobicContact CD1-CB 4.41Å; I280-L302 HydrophobicContact CD1-CD1 3.75Å; I280-L302 HydrophobicContact CD1-CD2 3.76Å; I280-L302 HydrophobicContact CD1-CG 4.17Å; I280-L302 HydrophobicContact CG1-CD2 4.41Å; I298-L302 HydrophobicContact CG2-CD1 4.15Å; I298-L302 HydrophobicContact CG2-CG 4.28Å; I298-L302 WeakPolarHBondContact O-CG 3.5Å; I298-L302 PolarHBondContact O-N 3.35Å; G299-L302 PolarHBondContact O-N 2.97Å; Y300-L302 PolarHBondContact O-N 2.72Å; L302-L304 VanDerWaalsContact C-N 3.33Å; L302-L304 PolarHBondContact O-N 3.27Å; L302-N305 PolarHBondContact O-N 3.41Å; L302-Y306 HydrophobicContact CB-CD2 4.48Å; L302-Y306 HydrophobicContact CD2-CD2 3.95Å; L302-Y306 HydrophobicContact CD2-CE2 3.76Å; L302-Y306 WeakPolarHBondContact O-CB 3.21Å; L302-Y306 WeakPolarHBondContact O-CD2 2.95Å; L302-Y306 PolarHBondContact O-N 3.22Å; L302-F310 HydrophobicContact CB-CE2 4.44Å; L302-F310 HydrophobicContact CB-CZ 4.48Å; L302-Q314 HydrophobicContact CD1-CB 4.39Å; L302-I315 HydrophobicContact CD1-CD1 4.03Å; L302-I315 HydrophobicContact CD1-CG1 4.23Å; L302-I347 HydrophobicContact CB-CD1 3.56Å; L302-I347 HydrophobicContact CD1-CD1 3.86Å; L302-I347 HydrophobicContact CG-CD1 4.38Å
303I79.4Confident81.9Confident9 Ų941.6 Ų41.65%0.04621%0.212CC..Hα-helixtrans-61.3-41.8175.3-68.5170.6000111.3G299 Y300 G307 D308 V341 L344 I347G299-I303 WeakPolarHBondContact O-CG1 3.17Å; G299-I303 PolarHBondContact O-N 3.16Å; Y300-I303 PolarHBondContact O-N 3.19Å; I303-G307 CarbonylContact O-C 3.59Å; I303-G307 WeakPolarHBondContact O-CA 3.43Å; I303-G307 PolarHBondContact O-N 2.86Å; I303-D308 HydrophobicContact CG2-CB 4.49Å; I303-V341 HydrophobicContact CG2-CB 4.47Å; I303-V341 HydrophobicContact CG2-CG1 4.01Å; I303-L344 HydrophobicContact CD1-CD2 3.76Å; I303-I347 HydrophobicContact CD1-CG2 4.14Å; I303-I347 HydrophobicContact CG1-CD1 4.15Å
304L77.1Confident81.9Confident90 Ų9041 Ų4147%0.47121%0.211SC..Hα-helixtrans-66.1-40.4178.2-71.9-178.3000112.7L133 Y300 Q301 L302L133-L304 HydrophobicContact CD2-CD1 3.64Å; Y300-L304 HydrophobicContact CD1-CD1 3.85Å; Y300-L304 HydrophobicContact CD1-CG 4.27Å; Y300-L304 HydrophobicContact CE1-CD1 3.28Å; Y300-L304 HydrophobicContact CE1-CD2 4.47Å; Y300-L304 HydrophobicContact CE1-CG 3.9Å; Y300-L304 HydrophobicContact CE2-CD2 4.41Å; Y300-L304 HydrophobicContact CE2-CG 4.35Å; Y300-L304 WeakPolarHBondContact O-CG 3.42Å; Y300-L304 PolarHBondContact O-N 2.89Å; Q301-L304 PolarHBondContact O-N 3.24Å; L302-L304 VanDerWaalsContact C-N 3.33Å; L302-L304 PolarHBondContact O-N 3.27Å
305N75.5Confident82.1Confident74 Ų7440.7 Ų40.740%0.39621%0.209SC..Hα-helixtrans-81.6-36.9-174.2-69.1-7.1000112.8Q301 L302Q301-N305 WeakPolarHBondContact O-CB 3.49Å; Q301-N305 VanDerWaalsContact O-CG 3.22Å; Q301-N305 PolarHBondContact O-N 3Å; L302-N305 PolarHBondContact O-N 3.41Å
306Y75.7Confident82.2Confident61 Ų6140.7 Ų40.724%0.23921%0.209CC..Hα-helixtrans-116-3.7-171.6-59.2-78.2000113.4L302 F310L302-Y306 HydrophobicContact CB-CD2 4.48Å; L302-Y306 HydrophobicContact CD2-CD2 3.95Å; L302-Y306 HydrophobicContact CD2-CE2 3.76Å; L302-Y306 WeakPolarHBondContact O-CB 3.21Å; L302-Y306 WeakPolarHBondContact O-CD2 2.95Å; L302-Y306 PolarHBondContact O-N 3.22Å; Y306-F310 HydrophobicContact CG-CZ 4.45Å
307G73.9Confident82.6Confident22 Ų2240.7 Ų40.723%0.22721%0.209CC..  trans78.1-168.5-174.600000113.2I303 F310I303-G307 CarbonylContact O-C 3.59Å; I303-G307 WeakPolarHBondContact O-CA 3.43Å; I303-G307 PolarHBondContact O-N 2.86Å; G307-F310 VanDerWaalsContact O-CE2 3.31Å; G307-F310 WeakPolarHBondContact O-CE2 3.49Å
308D70.8Confident83.2Confident29 Ų2939.9 Ų39.916%0.15521%0.206CC..SBendtrans-111.537.9-167.4-168.513.5000113.1I303 K342I303-D308 HydrophobicContact CG2-CB 4.49Å; D308-K342 PolarHBondContact O-NZ 2.96Å; D308-K342 WeakPolarHBondContact OD1-CB 3.45Å; D308-K342 WeakPolarHBondContact OD1-CD 3.25Å; D308-K342 WeakPolarHBondContact OD2-CA 3.44Å; D308-K342 WeakPolarHBondContact OD2-CB 3.5Å; D308-K342 WeakPolarHBondContact OD2-CD 3.47Å; D308-K342 WeakPolarHBondContact OD2-CG 3.43Å; D308-K342 PolarHBondContact OD2-N 2.8Å
309F71.2Confident83.6Confident175 Ų17540.5 Ų40.577%0.76821%0.209SC*.  trans-95.61-173.8-54.8-71.6000113.3T311F309-T311 PolarHBondContact O-N 2.8Å
310F76.9Confident84.1Confident29 Ų2943.3 Ų43.313%0.12723%0.228CC..  trans-64.6120.1179.5-57.5-68.8000111.1I280 L302 Y306 G307 Q314 I347I280-F310 HydrophobicContact CD1-CD1 4.33Å; I280-F310 HydrophobicContact CD1-CE1 3.36Å; I280-F310 HydrophobicContact CD1-CZ 3.53Å; I280-F310 HydrophobicContact CG1-CE1 3.8Å; I280-F310 HydrophobicContact CG1-CZ 4.12Å; L302-F310 HydrophobicContact CB-CE2 4.44Å; L302-F310 HydrophobicContact CB-CZ 4.48Å; Y306-F310 HydrophobicContact CG-CZ 4.45Å; G307-F310 VanDerWaalsContact O-CE2 3.31Å; G307-F310 WeakPolarHBondContact O-CE2 3.49Å; F310-Q314 HydrophobicContact CB-CG 4.34Å; F310-Q314 HydrophobicContact CD1-CG 3.44Å; F310-Q314 VanDerWaalsContact CD1-CG 3.44Å; F310-Q314 HydrophobicContact CE1-CG 3.83Å; F310-Q314 HydrophobicContact CG-CG 3.86Å; F310-I347 HydrophobicContact CD2-CD1 3.7Å; F310-I347 HydrophobicContact CD2-CG1 4.27Å; F310-I347 HydrophobicContact CE2-CD1 3.7Å; F310-I347 HydrophobicContact CG-CD1 4.41Å; F310-I347 HydrophobicContact CZ-CD1 4.4Å
311T75.9Confident84.8Confident140 Ų14044.9 Ų44.986%0.85924%0.239SC*.SBendtrans-88.4-20.9174.551.50000112.4F309F309-T311 PolarHBondContact O-N 2.8Å
312E84.4Confident85.6Confident87 Ų8750.9 Ų50.941%0.40727%0.267SS..SBendtrans-128.2152.8178.3-66-173.9179.500111.3K283 Q314 S346K283-E312 IonicContact NZ-OE2 3.93Å; K283-E312 PolarHBondContact NZ-OE2 2.99Å; E312-Q314 PolarHBondContact O-N 3.28Å; E312-Q314 PolarHBondContact O-NE2 3.19Å; E312-S346 CarbonylContact C-O 3.55Å
313P88.4Confident86.3Confident44 Ų4455.8 Ų55.829%0.28629%0.293SS..  trans-57.1131.8171.4-23.934.2000112.1S346 I347 K349P313-S346 WeakPolarHBondContact CA-O 3.37Å; P313-I347 CarbonylContact C-O 3.48Å; P313-I347 WeakPolarHBondContact CA-O 3.19Å; P313-K349 HydrophobicContact CB-CB 3.78Å; P313-K349 HydrophobicContact CG-CB 4Å
314Q91.1Very high87.1Confident21 Ų2158 Ų5810%0.09831%0.305CS..SBendtrans-95.6-21.1178.1-56-60.3-51.100111.6I280 K283 I284 L302 F310 E312 I347I280-Q314 HydrophobicContact CD1-CB 3.98Å; I280-Q314 HydrophobicContact CD1-CG 3.77Å; K283-Q314 CarbonylContact C-O 3.6Å; K283-Q314 WeakPolarHBondContact CA-O 3.49Å; I284-Q314 PolarHBondContact N-O 3.29Å; L302-Q314 HydrophobicContact CD1-CB 4.39Å; F310-Q314 HydrophobicContact CB-CG 4.34Å; F310-Q314 HydrophobicContact CD1-CG 3.44Å; F310-Q314 VanDerWaalsContact CD1-CG 3.44Å; F310-Q314 HydrophobicContact CE1-CG 3.83Å; F310-Q314 HydrophobicContact CG-CG 3.86Å; E312-Q314 PolarHBondContact O-N 3.28Å; E312-Q314 PolarHBondContact O-NE2 3.19Å; Q314-I347 HydrophobicContact CB-CD1 4.38Å; Q314-I347 HydrophobicContact CB-CG1 3.77Å; Q314-I347 HydrophobicContact CG-CD1 4.32Å; Q314-I347 HydrophobicContact CG-CG1 3.84Å; Q314-I347 PolarHBondContact N-O 2.9Å
315I94.5Very high88Confident0 Ų055 Ų550%029%0.288CS..EExtended strand (participates in β ladder)trans-123.3129-177.9-51.3177.8000108.9I284 S295 I298 G299 L302 I347 V348 K349I284-I315 HydrophobicContact CB-CG1 4.29Å; I284-I315 HydrophobicContact CB-CG2 4.39Å; I284-I315 HydrophobicContact CG2-CG2 4.42Å; I284-I315 CarbonylContact O-C 3.52Å; I284-I315 VanDerWaalsContact O-CA 3.29Å; I284-I315 WeakPolarHBondContact O-CA 3.22Å; S295-I315 WeakPolarHBondContact O-CD1 2.95Å; I298-I315 HydrophobicContact CB-CD1 3.87Å; I298-I315 HydrophobicContact CG2-CD1 3.75Å; G299-I315 VanDerWaalsContact N-CD1 3.3Å; L302-I315 HydrophobicContact CD1-CD1 4.03Å; L302-I315 HydrophobicContact CD1-CG1 4.23Å; I315-I347 PolarHBondContact N-O 3.3Å; I315-V348 HydrophobicContact CB-CG2 4.29Å; I315-V348 HydrophobicContact CD1-CG2 4.29Å; I315-V348 CarbonylContact O-C 3.54Å; I315-V348 WeakPolarHBondContact O-CA 3.13Å; I315-K349 PolarHBondContact O-N 3.05Å
316I96.6Very high89Confident1 Ų155 Ų551%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-113.4119171.6-53.8177.4000107.5I284 I285 D286 V318 K349 L351 L367 F370 T371I284-I316 PolarHBondContact O-N 2.97Å; I285-I316 CarbonylContact C-O 3.57Å; I285-I316 WeakPolarHBondContact CA-O 3.33Å; I285-I316 HydrophobicContact CD1-CB 3.72Å; I285-I316 HydrophobicContact CD1-CD1 3.58Å; I285-I316 HydrophobicContact CD1-CG1 3.85Å; D286-I316 PolarHBondContact N-O 3.4Å; I316-V318 HydrophobicContact CG2-CG2 4.44Å; I316-K349 CarbonylContact C-O 3.58Å; I316-K349 WeakPolarHBondContact CA-O 3.3Å; I316-L351 HydrophobicContact CG2-CB 4.28Å; I316-L367 HydrophobicContact CD1-CD2 4.47Å; I316-L367 HydrophobicContact CG2-CD2 4.28Å; I316-F370 HydrophobicContact CD1-CB 3.21Å; I316-F370 HydrophobicContact CD1-CD2 4.13Å; I316-F370 HydrophobicContact CD1-CG 3.95Å; I316-F370 HydrophobicContact CG1-CB 4.3Å; I316-T371 HydrophobicContact CD1-CG2 4.13Å
317S97.2Very high89.8Confident0 Ų057.5 Ų57.50%030%0.303CS..EExtended strand (participates in β ladder)trans-107.9122.8178.5-27.40000110.6D286 S289 S295 V348 K349 R350 L351D286-S317 CarbonylContact O-C 3.39Å; D286-S317 WeakPolarHBondContact O-CA 3.48Å; S289-S317 VanDerWaalsContact OG-CB 3.31Å; S289-S317 WeakPolarHBondContact OG-CB 3.35Å; S295-S317 WeakPolarHBondContact CB-OG 3.35Å; S295-S317 WeakPolarHBondContact OG-CB 3.33Å; S295-S317 PolarHBondContact OG-OG 3.32Å; S317-V348 WeakPolarHBondContact OG-CG1 3.42Å; S317-K349 PolarHBondContact N-O 3.26Å; S317-R350 WeakPolarHBondContact O-CA 3.26Å; S317-R350 VanDerWaalsContact OG-CZ 3.27Å; S317-R350 PolarHBondContact OG-NH1 2.82Å; S317-L351 PolarHBondContact O-N 2.81Å
318V98.2Very high90.7Very high2 Ų256.5 Ų56.51%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-103131.2-177.3-172.60000109.6I285 D286 I287 G288 S289 I316 L351 F353 V355I285-V318 HydrophobicContact CG2-CG2 4.44Å; D286-V318 PolarHBondContact O-N 3.01Å; I287-V318 HydrophobicContact CD1-CB 3.74Å; I287-V318 HydrophobicContact CD1-CG1 4.35Å; I287-V318 HydrophobicContact CD1-CG2 3.52Å; G288-V318 PolarHBondContact N-O 2.74Å; S289-V318 PolarHBondContact N-O 2.7Å; S289-V318 PolarHBondContact OG-O 2.89Å; S289-V318 VanDerWaalsContact OG-O 3.09Å; I316-V318 HydrophobicContact CG2-CG2 4.44Å; V318-L351 WeakPolarHBondContact CA-O 3.42Å; V318-L351 HydrophobicContact CG2-CB 4.3Å; V318-L351 HydrophobicContact CG2-CD2 4.12Å; V318-F353 HydrophobicContact CG1-CB 3.79Å; V318-V355 HydrophobicContact CG1-CG2 4.06Å
319E97.5Very high91.7Very high17 Ų1758.8 Ų58.88%0.07930%0.304CS..EExtended strand (participates in β ladder)trans-141.3146.6174.6176.148.9-12200108.4G290 N321 L324 H325 L351 L352 F353G290-E319 WeakPolarHBondContact CA-OE2 3.47Å; G290-E319 PolarHBondContact N-OE2 3.05Å; E319-N321 WeakPolarHBondContact OE1-CB 3.31Å; E319-N321 PolarHBondContact OE1-N 3.23Å; E319-L324 HydrophobicContact CG-CB 4.08Å; E319-H325 HydrophobicContact CG-CB 4.38Å; E319-L351 PolarHBondContact N-O 2.8Å; E319-L352 CarbonylContact O-C 3.6Å; E319-L352 VanDerWaalsContact O-CA 3.27Å; E319-L352 WeakPolarHBondContact O-CA 3.29Å; E319-L352 WeakPolarHBondContact O-CD1 3.48Å; E319-F353 CarbonylContact C-O 3.59Å; E319-F353 PolarHBondContact O-N 2.92Å
320C96.9Very high92.5Very high60 Ų6057.1 Ų57.141%0.40530%0.296SS..  trans-105.4-23.2-178.572.90000113.3F353 R354C320-F353 WeakPolarHBondContact CB-O 3.37Å; C320-R354 HydrophobicContact CB-CB 3.87Å; C320-R354 HydrophobicContact CB-CG 4.19Å
321N97.2Very high92.9Very high66 Ų6657 Ų5735%0.35330%0.297SS..  trans-82.7118.7177.1-179-79.5000110.5E319 D323 L324 H325E319-N321 WeakPolarHBondContact OE1-CB 3.31Å; E319-N321 PolarHBondContact OE1-N 3.23Å; N321-D323 PolarHBondContact O-N 3.32Å; N321-D323 WeakPolarHBondContact OD1-CB 3.4Å; N321-D323 PolarHBondContact OD1-N 3.22Å; N321-D323 VanDerWaalsContact OD1-N 3.12Å; N321-L324 HydrophobicContact CB-CB 4.16Å; N321-L324 HydrophobicContact CB-CD1 4.09Å; N321-L324 HydrophobicContact CB-CG 4.16Å; N321-L324 PolarHBondContact O-N 3.41Å; N321-L324 WeakPolarHBondContact OD1-CG 3.48Å; N321-L324 PolarHBondContact OD1-N 3.21Å; N321-H325 WeakPolarHBondContact O-CB 3.31Å; N321-H325 PolarHBondContact O-N 2.69Å
322E97.2Very high93.4Very high133 Ų13350.6 Ų50.662%0.62126%0.258SS*.Hα-helixtrans-60.5-42.6-176.9-63.5-175.9-178.800112.7L324 H325 V326 L352E322-L324 PolarHBondContact O-N 2.95Å; E322-H325 WeakPolarHBondContact O-CB 3.42Å; E322-H325 PolarHBondContact O-N 2.96Å; E322-V326 WeakPolarHBondContact O-CG2 3.27Å; E322-V326 PolarHBondContact O-N 3.05Å; E322-L352 HydrophobicContact CG-CD1 4.1Å; E322-L352 HydrophobicContact CG-CD2 3.89Å
323D97.2Very high93.2Very high111 Ų11149.5 Ų49.559%0.59426%0.26SS*.Hα-helixtrans-63.2-44.2179.5-65.3-39.7000112N321 K327N321-D323 PolarHBondContact O-N 3.32Å; N321-D323 WeakPolarHBondContact OD1-CB 3.4Å; N321-D323 PolarHBondContact OD1-N 3.22Å; N321-D323 VanDerWaalsContact OD1-N 3.12Å; D323-K327 WeakPolarHBondContact O-CB 3.36Å; D323-K327 VanDerWaalsContact O-CG 3.24Å; D323-K327 WeakPolarHBondContact O-CG 3.34Å; D323-K327 PolarHBondContact O-N 2.95Å
324L95.8Very high92.5Very high57 Ų5752.1 Ų52.130%0.29827%0.268SS..Hα-helixtrans-65.7-40.9175.7-68-177.8000110.8L291 E319 N321 E322 K327 A328L291-L324 HydrophobicContact CD2-CD2 3.89Å; L291-L324 HydrophobicContact CG-CD2 4.08Å; E319-L324 HydrophobicContact CG-CB 4.08Å; N321-L324 HydrophobicContact CB-CB 4.16Å; N321-L324 HydrophobicContact CB-CD1 4.09Å; N321-L324 HydrophobicContact CB-CG 4.16Å; N321-L324 PolarHBondContact O-N 3.41Å; N321-L324 WeakPolarHBondContact OD1-CG 3.48Å; N321-L324 PolarHBondContact OD1-N 3.21Å; E322-L324 PolarHBondContact O-N 2.95Å; L324-K327 PolarHBondContact O-N 3.2Å; L324-A328 VanDerWaalsContact O-CB 3.29Å; L324-A328 WeakPolarHBondContact O-CB 3.43Å; L324-A328 PolarHBondContact O-N 2.95Å
325H96.1Very high91.4Very high25 Ų2551.5 Ų51.512%0.11627%0.265CS..Hα-helixtrans-60.5-47.7177.2-176.788.8000111.8E319 N321 E322 K327 A328 L329 L352E319-H325 HydrophobicContact CG-CB 4.38Å; N321-H325 WeakPolarHBondContact O-CB 3.31Å; N321-H325 PolarHBondContact O-N 2.69Å; E322-H325 WeakPolarHBondContact O-CB 3.42Å; E322-H325 PolarHBondContact O-N 2.96Å; H325-K327 PolarHBondContact O-N 3.09Å; H325-A328 WeakPolarHBondContact O-CB 3.28Å; H325-A328 PolarHBondContact O-N 3.07Å; H325-L329 WeakPolarHBondContact O-CG 3.14Å; H325-L329 PolarHBondContact O-N 2.72Å; H325-L352 HydrophobicContact CB-CD1 3.96Å; H325-L352 PolarHBondContact CE1-N 3.09Å
326V95.6Very high89.9Confident74 Ų7453.6 Ų53.645%0.44828%0.276SS..Hα-helixtrans-63.3-42.8176.8171.60000111.3E322 A328 L329 K330E322-V326 WeakPolarHBondContact O-CG2 3.27Å; E322-V326 PolarHBondContact O-N 3.05Å; V326-A328 VanDerWaalsContact C-N 3.33Å; V326-A328 PolarHBondContact O-N 3.12Å; V326-L329 PolarHBondContact O-N 3.13Å; V326-K330 PolarHBondContact O-N 2.87Å; V326-K330 VanDerWaalsContact O-N 3.14Å
327K93.6Very high88.1Confident114 Ų11458.2 Ų58.250%0.49631%0.308SS..Hα-helixtrans-63.5-39.1175-72.3170.2-175.3172.40111.7L291 D323 L324 H325 K330 N331L291-K327 HydrophobicContact CD2-CB 3.49Å; L291-K327 VanDerWaalsContact CD2-CB 3.49Å; L291-K327 HydrophobicContact CD2-CD 4.19Å; L291-K327 HydrophobicContact CD2-CG 4.47Å; D323-K327 WeakPolarHBondContact O-CB 3.36Å; D323-K327 VanDerWaalsContact O-CG 3.24Å; D323-K327 WeakPolarHBondContact O-CG 3.34Å; D323-K327 PolarHBondContact O-N 2.95Å; L324-K327 PolarHBondContact O-N 3.2Å; H325-K327 PolarHBondContact O-N 3.09Å; K327-K330 PolarHBondContact O-N 2.79Å; K327-N331 VanDerWaalsContact O-CG 3.27Å; K327-N331 PolarHBondContact O-N 2.84Å; K327-N331 PolarHBondContact O-OD1 3.26Å
328A91.9Very high86.1Confident1 Ų163.1 Ų63.11%0.00833%0.334CS..Hα-helixtrans-65-37.9176.400000112.3L324 H325 V326 N331 L332L324-A328 VanDerWaalsContact O-CB 3.29Å; L324-A328 WeakPolarHBondContact O-CB 3.43Å; L324-A328 PolarHBondContact O-N 2.95Å; H325-A328 WeakPolarHBondContact O-CB 3.28Å; H325-A328 PolarHBondContact O-N 3.07Å; V326-A328 VanDerWaalsContact C-N 3.33Å; V326-A328 PolarHBondContact O-N 3.12Å; A328-N331 PolarHBondContact O-N 2.82Å; A328-L332 WeakPolarHBondContact O-CB 3.28Å; A328-L332 PolarHBondContact O-N 2.76Å
329L91.7Very high84.2Confident77 Ų7765.2 Ų65.240%0.40334%0.343SS..Hα-helixtrans-62-42.3173.1-74.8168.8000111.9H325 V326 L332 S333 R350H325-L329 WeakPolarHBondContact O-CG 3.14Å; H325-L329 PolarHBondContact O-N 2.72Å; V326-L329 PolarHBondContact O-N 3.13Å; L329-L332 WeakPolarHBondContact O-CB 3.43Å; L329-L332 PolarHBondContact O-N 2.97Å; L329-S333 PolarHBondContact O-N 3.33Å; L329-S333 VanDerWaalsContact O-N 3.14Å; L329-R350 HydrophobicContact CD2-CB 3.97Å; L329-R350 HydrophobicContact CD2-CG 3.91Å
330K88.8Confident82.2Confident140 Ų14073.7 Ų73.761%0.60938%0.383SS*.Hα-helixtrans-63.7-43.5173.9-68177.7-179.2-178.40111.9V326 K327 L332 S333 Q334V326-K330 PolarHBondContact O-N 2.87Å; V326-K330 VanDerWaalsContact O-N 3.14Å; K327-K330 PolarHBondContact O-N 2.79Å; K330-L332 VanDerWaalsContact C-N 3.28Å; K330-L332 PolarHBondContact O-N 2.79Å; K330-S333 PolarHBondContact O-N 2.77Å; K330-S333 PolarHBondContact O-OG 2.93Å; K330-Q334 PolarHBondContact O-N 2.99Å
331N84.8Confident80.3Confident27 Ų2773.8 Ų73.814%0.14438%0.381CS..Hα-helixtrans-60-41.8175.7-69.5-14.3000111L291 K327 A328 Q334 Y335L291-N331 PolarHBondContact O-ND2 2.72Å; K327-N331 VanDerWaalsContact O-CG 3.27Å; K327-N331 PolarHBondContact O-N 2.84Å; K327-N331 PolarHBondContact O-OD1 3.26Å; A328-N331 PolarHBondContact O-N 2.82Å; N331-Q334 PolarHBondContact O-N 2.9Å; N331-Y335 VanDerWaalsContact O-CD2 3.28Å; N331-Y335 WeakPolarHBondContact O-CD2 3.48Å; N331-Y335 PolarHBondContact O-N 3.04Å
332L85.7Confident78.5Confident5 Ų576.3 Ų76.33%0.02639%0.389CS..Hα-helixtrans-61.9-42.3179.5-177.264.1000112.2N296 A328 L329 K330 N336 L344 T345 V348 R350N296-L332 WeakPolarHBondContact OD1-CD1 3.43Å; A328-L332 WeakPolarHBondContact O-CB 3.28Å; A328-L332 PolarHBondContact O-N 2.76Å; L329-L332 WeakPolarHBondContact O-CB 3.43Å; L329-L332 PolarHBondContact O-N 2.97Å; K330-L332 VanDerWaalsContact C-N 3.28Å; K330-L332 PolarHBondContact O-N 2.79Å; L332-N336 PolarHBondContact O-OD1 2.97Å; L332-L344 HydrophobicContact CD1-CB 3.54Å; L332-L344 HydrophobicContact CD1-CD1 4.45Å; L332-T345 HydrophobicContact CD2-CG2 3.89Å; L332-T345 HydrophobicContact CG-CG2 3.84Å; L332-V348 HydrophobicContact CD1-CB 3.87Å; L332-V348 HydrophobicContact CD1-CG1 4.38Å; L332-V348 HydrophobicContact CD1-CG2 4.27Å; L332-V348 HydrophobicContact CD2-CB 4.43Å; L332-R350 HydrophobicContact CD2-CG 4.25Å
333S80.9Confident77.4Confident64 Ų6471.4 Ų71.445%0.44837%0.369SS..Hα-helixtrans-74.1-30.9178.762.90000113.5L329 K330 Y335 N336L329-S333 PolarHBondContact O-N 3.33Å; L329-S333 VanDerWaalsContact O-N 3.14Å; K330-S333 PolarHBondContact O-N 2.77Å; K330-S333 PolarHBondContact O-OG 2.93Å; S333-Y335 VanDerWaalsContact C-N 3.31Å; S333-Y335 PolarHBondContact O-N 2.78Å; S333-N336 VanDerWaalsContact O-CB 3.3Å; S333-N336 WeakPolarHBondContact O-CB 3.31Å; S333-N336 PolarHBondContact O-N 2.55Å; S333-N336 PolarHBondContact O-ND2 3.03Å
334Q74.6Confident76.7Confident99 Ų9966.5 Ų66.546%0.46334%0.343SS..Hα-helixtrans-65.1-32.9178.5-172.6176.65.800112.8K330 N331 N336 S337 L338K330-Q334 PolarHBondContact O-N 2.99Å; N331-Q334 PolarHBondContact O-N 2.9Å; Q334-N336 PolarHBondContact O-N 2.77Å; Q334-S337 PolarHBondContact O-N 3.38Å; Q334-S337 PolarHBondContact O-OG 3.05Å; Q334-L338 HydrophobicContact CG-CD1 4.5Å
335Y67.8Low76.1Confident9 Ų967.2 Ų67.24%0.03535%0.35CS..Hα-helixtrans-61.2-28.4175.8-91.1-82.1000112.5Y137 L139 N296 N331 S333 S337 L338 F339 L344Y137-Y335 HydrophobicContact CD1-CE1 4.29Å; Y137-Y335 HydrophobicContact CD2-CE1 4.14Å; Y137-Y335 AromaticContact CE1-CE1 3.75Å; Y137-Y335 HydrophobicContact CE1-CE1 3.75Å; Y137-Y335 AromaticContact CE1-CZ 3.95Å; Y137-Y335 AromaticContact CE2-CD1 3.99Å; Y137-Y335 HydrophobicContact CE2-CD1 3.99Å; Y137-Y335 AromaticContact CE2-CE1 3.53Å; Y137-Y335 HydrophobicContact CE2-CE1 3.53Å; Y137-Y335 HydrophobicContact CG-CE1 4.47Å; Y137-Y335 AromaticContact CZ-CD1 3.96Å; Y137-Y335 AromaticContact CZ-CE1 3.33Å; Y137-Y335 AromaticContact CZ-CZ 3.93Å; Y137-Y335 PolarHBondContact O-OH 3.27Å; Y137-Y335 VanDerWaalsContact O-OH 3.12Å; Y137-Y335 WeakPolarHBondContact OH-CE1 3.39Å; L139-Y335 HydrophobicContact CD1-CD2 4.28Å; L139-Y335 HydrophobicContact CD1-CE2 3.27Å; L139-Y335 WeakPolarHBondContact CD1-OH 3.47Å; L139-Y335 HydrophobicContact CG-CE2 3.97Å; L139-Y335 WeakPolarHBondContact CG-OH 3.44Å; N296-Y335 HydrophobicContact CB-CD2 4.4Å; N296-Y335 HydrophobicContact CB-CE2 4.13Å; N331-Y335 VanDerWaalsContact O-CD2 3.28Å; N331-Y335 WeakPolarHBondContact O-CD2 3.48Å; N331-Y335 PolarHBondContact O-N 3.04Å; S333-Y335 VanDerWaalsContact C-N 3.31Å; S333-Y335 PolarHBondContact O-N 2.78Å; Y335-S337 VanDerWaalsContact C-N 3.33Å; Y335-S337 PolarHBondContact O-N 2.77Å; Y335-L338 PolarHBondContact O-N 3.29Å; Y335-F339 AromaticContact CD1-CD2 4Å; Y335-F339 HydrophobicContact CD1-CD2 4Å; Y335-F339 AromaticContact CD1-CE2 3.47Å; Y335-F339 HydrophobicContact CD1-CE2 3.47Å; Y335-F339 VanDerWaalsContact CD1-CE2 3.47Å; Y335-F339 HydrophobicContact CD1-CZ 4.49Å; Y335-F339 AromaticContact CE1-CE2 3.87Å; Y335-F339 HydrophobicContact CE1-CE2 3.87Å; Y335-F339 VanDerWaalsContact O-CD2 3.31Å; Y335-F339 WeakPolarHBondContact O-CD2 3.43Å; Y335-L344 HydrophobicContact CD1-CD1 3.96Å; Y335-L344 HydrophobicContact CD2-CD1 3.98Å; Y335-L344 HydrophobicContact CG-CD1 3.5Å
336N62.9Low75.5Confident43 Ų4367.4 Ų67.423%0.2335%0.354CS..Hα-helixtrans-64.4-37.3-177.4-55.2-18.9000112.7L332 S333 Q334 S343 L344L332-N336 PolarHBondContact O-OD1 2.97Å; S333-N336 VanDerWaalsContact O-CB 3.3Å; S333-N336 WeakPolarHBondContact O-CB 3.31Å; S333-N336 PolarHBondContact O-N 2.55Å; S333-N336 PolarHBondContact O-ND2 3.03Å; Q334-N336 PolarHBondContact O-N 2.77Å; N336-S343 VanDerWaalsContact CG-CA 3.42Å; N336-S343 WeakPolarHBondContact ND2-CB 2.68Å; N336-S343 PolarHBondContact ND2-OG 3.42Å; N336-S343 WeakPolarHBondContact OD1-CA 3.31Å; N336-S343 PolarHBondContact OD1-OG 3.49Å; N336-S343 VanDerWaalsContact OD1-OG 3.14Å; N336-L344 PolarHBondContact OD1-N 3.17Å
337S58Low75.2Confident98 Ų9863.9 Ų63.969%0.68533%0.333SS*.Hα-helixtrans-75.5-25.8-177.759.60000112.9Q334 Y335Q334-S337 PolarHBondContact O-N 3.38Å; Q334-S337 PolarHBondContact O-OG 3.05Å; Y335-S337 VanDerWaalsContact C-N 3.33Å; Y335-S337 PolarHBondContact O-N 2.77Å
338L55.6Low75.1Confident104 Ų10458.6 Ų58.655%0.54531%0.31SS..Hα-helixtrans-76.5-32.5-177.2-96.3129.9000113.6Q334 Y335Q334-L338 HydrophobicContact CG-CD1 4.5Å; Y335-L338 PolarHBondContact O-N 3.29Å
339F57.4Low75.2Confident45 Ų4563 Ų6320%0.19733%0.329CS..Hα-helixtrans-112.9-6.6-164.5-65.1-78.1000115.7Y137 Y300 Y335 V341Y137-F339 HydrophobicContact CD2-CE1 4.19Å; Y137-F339 HydrophobicContact CD2-CE2 4.22Å; Y137-F339 AromaticContact CD2-CZ 3.65Å; Y137-F339 HydrophobicContact CD2-CZ 3.65Å; Y137-F339 HydrophobicContact CE2-CE2 4.11Å; Y137-F339 AromaticContact CE2-CZ 3.98Å; Y137-F339 HydrophobicContact CE2-CZ 3.98Å; Y300-F339 AromaticContact CE2-CD1 3.8Å; Y300-F339 HydrophobicContact CE2-CD1 3.8Å; Y300-F339 HydrophobicContact CE2-CE1 4.13Å; Y300-F339 HydrophobicContact CE2-CG 4.02Å; Y335-F339 AromaticContact CD1-CD2 4Å; Y335-F339 HydrophobicContact CD1-CD2 4Å; Y335-F339 AromaticContact CD1-CE2 3.47Å; Y335-F339 HydrophobicContact CD1-CE2 3.47Å; Y335-F339 VanDerWaalsContact CD1-CE2 3.47Å; Y335-F339 HydrophobicContact CD1-CZ 4.49Å; Y335-F339 AromaticContact CE1-CE2 3.87Å; Y335-F339 HydrophobicContact CE1-CE2 3.87Å; Y335-F339 VanDerWaalsContact O-CD2 3.31Å; Y335-F339 WeakPolarHBondContact O-CD2 3.43Å; F339-V341 HydrophobicContact CB-CG2 3.59Å; F339-V341 VanDerWaalsContact O-CG2 3.29Å; F339-V341 WeakPolarHBondContact O-CG2 3.44Å; F339-V341 PolarHBondContact O-N 3.17Å
340Q57.4Low75.3Confident196 Ų19660.3 Ų60.392%0.91631%0.313SS*.  trans54.25.3-179.8-61.3-179-2.700116.1
341V56.5Low75.7Confident61 Ų6154.2 Ų54.237%0.3729%0.288SS..SBendtrans-82.5165.1165.3-1170000109.4I303 F339I303-V341 HydrophobicContact CG2-CB 4.47Å; I303-V341 HydrophobicContact CG2-CG1 4.01Å; F339-V341 HydrophobicContact CB-CG2 3.59Å; F339-V341 VanDerWaalsContact O-CG2 3.29Å; F339-V341 WeakPolarHBondContact O-CG2 3.44Å; F339-V341 PolarHBondContact O-N 3.17Å
342K59.4Low76.3Confident120 Ų12056.5 Ų56.552%0.52230%0.3SS..SBendtrans-55.1156.1174.4-72.1174.8-169.5153.30110D308 L344D308-K342 PolarHBondContact O-NZ 2.96Å; D308-K342 WeakPolarHBondContact OD1-CB 3.45Å; D308-K342 WeakPolarHBondContact OD1-CD 3.25Å; D308-K342 WeakPolarHBondContact OD2-CA 3.44Å; D308-K342 WeakPolarHBondContact OD2-CB 3.5Å; D308-K342 WeakPolarHBondContact OD2-CD 3.47Å; D308-K342 WeakPolarHBondContact OD2-CG 3.43Å; D308-K342 PolarHBondContact OD2-N 2.8Å; K342-L344 PolarHBondContact O-N 3.08Å
343S73.5Confident76.9Confident29 Ų2957.4 Ų57.420%0.20330%0.303CS..PPolyproline II helixtrans-48.4129.7179.4178.10000113.1N336 T345 S346N336-S343 VanDerWaalsContact CG-CA 3.42Å; N336-S343 WeakPolarHBondContact ND2-CB 2.68Å; N336-S343 PolarHBondContact ND2-OG 3.42Å; N336-S343 WeakPolarHBondContact OD1-CA 3.31Å; N336-S343 PolarHBondContact OD1-OG 3.49Å; N336-S343 VanDerWaalsContact OD1-OG 3.14Å; S343-T345 WeakPolarHBondContact CB-OG1 3.05Å; S343-T345 PolarHBondContact O-N 2.64Å; S343-T345 VanDerWaalsContact OG-CB 3.22Å; S343-T345 WeakPolarHBondContact OG-CB 3.04Å; S343-T345 WeakPolarHBondContact OG-CG2 3.3Å; S343-T345 PolarHBondContact OG-N 3.08Å; S343-T345 VanDerWaalsContact OG-N 3.08Å; S343-T345 PolarHBondContact OG-OG1 3.3Å; S343-S346 WeakPolarHBondContact O-CB 3.2Å; S343-S346 PolarHBondContact O-N 3.3Å; S343-S346 PolarHBondContact O-OG 2.9Å
344L83Confident77.7Confident8 Ų861.5 Ų61.54%0.04231%0.309CS..G310 helixtrans-55-17.6167.8-79.7-176.8000112.2N296 I303 L332 Y335 N336 K342 S346 I347 V348N296-L344 HydrophobicContact CB-CD1 4.18Å; I303-L344 HydrophobicContact CD1-CD2 3.76Å; L332-L344 HydrophobicContact CD1-CB 3.54Å; L332-L344 HydrophobicContact CD1-CD1 4.45Å; Y335-L344 HydrophobicContact CD1-CD1 3.96Å; Y335-L344 HydrophobicContact CD2-CD1 3.98Å; Y335-L344 HydrophobicContact CG-CD1 3.5Å; N336-L344 PolarHBondContact OD1-N 3.17Å; K342-L344 PolarHBondContact O-N 3.08Å; L344-S346 PolarHBondContact O-N 3.35Å; L344-I347 HydrophobicContact CD2-CG2 3.94Å; L344-I347 WeakPolarHBondContact O-CG2 3.35Å; L344-I347 PolarHBondContact O-N 3.44Å; L344-V348 PolarHBondContact O-N 3.2Å
345T83.6Confident78.7Confident72 Ų7257.5 Ų57.544%0.44229%0.291SS..G310 helixtrans-65.5-16.8172.473.10000113.5L332 S343L332-T345 HydrophobicContact CD2-CG2 3.89Å; L332-T345 HydrophobicContact CG-CG2 3.84Å; S343-T345 WeakPolarHBondContact CB-OG1 3.05Å; S343-T345 PolarHBondContact O-N 2.64Å; S343-T345 VanDerWaalsContact OG-CB 3.22Å; S343-T345 WeakPolarHBondContact OG-CB 3.04Å; S343-T345 WeakPolarHBondContact OG-CG2 3.3Å; S343-T345 PolarHBondContact OG-N 3.08Å; S343-T345 VanDerWaalsContact OG-N 3.08Å; S343-T345 PolarHBondContact OG-OG1 3.3Å
346S83.3Confident80.1Confident30 Ų3060.3 Ų60.321%0.2130%0.304CS..G310 helixtrans-72.8-31.417366.20000111.5E312 P313 S343 L344E312-S346 CarbonylContact C-O 3.55Å; P313-S346 WeakPolarHBondContact CA-O 3.37Å; S343-S346 WeakPolarHBondContact O-CB 3.2Å; S343-S346 PolarHBondContact O-N 3.3Å; S343-S346 PolarHBondContact O-OG 2.9Å; L344-S346 PolarHBondContact O-N 3.35Å
347I87.8Confident81.6Confident0 Ų060 Ų600%031%0.305CS..THydrogen-bonded Turntrans-103.6-31-174.3-162.2170.4000113.6G299 L302 I303 F310 P313 Q314 I315 L344G299-I347 WeakPolarHBondContact O-CD1 3.38Å; L302-I347 HydrophobicContact CB-CD1 3.56Å; L302-I347 HydrophobicContact CD1-CD1 3.86Å; L302-I347 HydrophobicContact CG-CD1 4.38Å; I303-I347 HydrophobicContact CD1-CG2 4.14Å; I303-I347 HydrophobicContact CG1-CD1 4.15Å; F310-I347 HydrophobicContact CD2-CD1 3.7Å; F310-I347 HydrophobicContact CD2-CG1 4.27Å; F310-I347 HydrophobicContact CE2-CD1 3.7Å; F310-I347 HydrophobicContact CG-CD1 4.41Å; F310-I347 HydrophobicContact CZ-CD1 4.4Å; P313-I347 CarbonylContact C-O 3.48Å; P313-I347 WeakPolarHBondContact CA-O 3.19Å; Q314-I347 HydrophobicContact CB-CD1 4.38Å; Q314-I347 HydrophobicContact CB-CG1 3.77Å; Q314-I347 HydrophobicContact CG-CD1 4.32Å; Q314-I347 HydrophobicContact CG-CG1 3.84Å; Q314-I347 PolarHBondContact N-O 2.9Å; I315-I347 PolarHBondContact N-O 3.3Å; L344-I347 HydrophobicContact CD2-CG2 3.94Å; L344-I347 WeakPolarHBondContact O-CG2 3.35Å; L344-I347 PolarHBondContact O-N 3.44Å
348V92Very high83.4Confident2 Ų261.1 Ų61.11%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-109.1120.2178.7-173.30000110.9I315 S317 L332 L344I315-V348 HydrophobicContact CB-CG2 4.29Å; I315-V348 HydrophobicContact CD1-CG2 4.29Å; I315-V348 CarbonylContact O-C 3.54Å; I315-V348 WeakPolarHBondContact O-CA 3.13Å; S317-V348 WeakPolarHBondContact OG-CG1 3.42Å; L332-V348 HydrophobicContact CD1-CB 3.87Å; L332-V348 HydrophobicContact CD1-CG1 4.38Å; L332-V348 HydrophobicContact CD1-CG2 4.27Å; L332-V348 HydrophobicContact CD2-CB 4.43Å; L344-V348 PolarHBondContact O-N 3.2Å
349K93.9Very high85.4Confident95 Ų9557.8 Ų57.841%0.41329%0.291SS..EExtended strand (participates in β ladder)trans-100.2137167.7-173.667.8176-1730110P313 I315 I316 S317 F370P313-K349 HydrophobicContact CB-CB 3.78Å; P313-K349 HydrophobicContact CG-CB 4Å; I315-K349 PolarHBondContact O-N 3.05Å; I316-K349 CarbonylContact C-O 3.58Å; I316-K349 WeakPolarHBondContact CA-O 3.3Å; S317-K349 PolarHBondContact N-O 3.26Å; K349-F370 HydrophobicContact CG-CD1 4.41Å; K349-F370 HydrophobicContact CG-CE1 4.27Å
350R95.1Very high87.3Confident19 Ų1956 Ų567%0.07228%0.284CS..EExtended strand (participates in β ladder)trans-101.5137.9173.1-59.4-62.3179.4171.4-14.6110.6S289 G292 N296 S317 L329 L332S289-R350 PolarHBondContact OG-NH1 3.39Å; G292-R350 VanDerWaalsContact CA-CZ 3.46Å; G292-R350 PolarHBondContact O-NH2 3Å; N296-R350 PolarHBondContact OD1-NH2 3.02Å; S317-R350 WeakPolarHBondContact O-CA 3.26Å; S317-R350 VanDerWaalsContact OG-CZ 3.27Å; S317-R350 PolarHBondContact OG-NH1 2.82Å; L329-R350 HydrophobicContact CD2-CB 3.97Å; L329-R350 HydrophobicContact CD2-CG 3.91Å; L332-R350 HydrophobicContact CD2-CG 4.25Å
351L96.6Very high89.1Confident13 Ų1350.8 Ų50.87%0.06826%0.263CS..EExtended strand (participates in β ladder)trans-126.5120.2176.6176.861.3000109.2I316 S317 V318 E319 F353 L363 R366 L367 F370I316-L351 HydrophobicContact CG2-CB 4.28Å; S317-L351 PolarHBondContact O-N 2.81Å; V318-L351 WeakPolarHBondContact CA-O 3.42Å; V318-L351 HydrophobicContact CG2-CB 4.3Å; V318-L351 HydrophobicContact CG2-CD2 4.12Å; E319-L351 PolarHBondContact N-O 2.8Å; L351-F353 HydrophobicContact CD2-CB 4.24Å; L351-F353 HydrophobicContact CG-CB 3.99Å; L351-F353 PolarHBondContact O-N 2.85Å; L351-L363 HydrophobicContact CD2-CD1 4.45Å; L351-R366 HydrophobicContact CD2-CB 4.41Å; L351-L367 HydrophobicContact CD2-CD2 4.49Å; L351-F370 HydrophobicContact CD1-CE2 4.14Å; L351-F370 HydrophobicContact CD2-CE2 4.21Å
352L97.5Very high91.1Very high75 Ų7552.1 Ų52.139%0.39327%0.267SS..EExtended strand (participates in β ladder)trans-81.8107.5169.4-179.668.3000108E319 E322 H325E319-L352 CarbonylContact O-C 3.6Å; E319-L352 VanDerWaalsContact O-CA 3.27Å; E319-L352 WeakPolarHBondContact O-CA 3.29Å; E319-L352 WeakPolarHBondContact O-CD1 3.48Å; E322-L352 HydrophobicContact CG-CD1 4.1Å; E322-L352 HydrophobicContact CG-CD2 3.89Å; H325-L352 HydrophobicContact CB-CD1 3.96Å; H325-L352 PolarHBondContact CE1-N 3.09Å
353F98Very high92.8Very high24 Ų2446.4 Ų46.411%0.10524%0.242CC..  trans-155.2134.5-179.6-167.6-82.6000111.1V318 E319 C320 L351 V355 L362 L363 R366V318-F353 HydrophobicContact CG1-CB 3.79Å; E319-F353 CarbonylContact C-O 3.59Å; E319-F353 PolarHBondContact O-N 2.92Å; C320-F353 WeakPolarHBondContact CB-O 3.37Å; L351-F353 HydrophobicContact CD2-CB 4.24Å; L351-F353 HydrophobicContact CG-CB 3.99Å; L351-F353 PolarHBondContact O-N 2.85Å; F353-V355 HydrophobicContact CD1-CG2 4Å; F353-L362 HydrophobicContact CE2-CD2 3.96Å; F353-L362 HydrophobicContact CE2-CG 3.92Å; F353-L362 HydrophobicContact CZ-CB 4.26Å; F353-L362 HydrophobicContact CZ-CD2 4.15Å; F353-L362 HydrophobicContact CZ-CG 4.09Å; F353-L363 HydrophobicContact CD1-CB 4.37Å; F353-L363 HydrophobicContact CD1-CD1 3.84Å; F353-L363 HydrophobicContact CE1-CB 3.68Å; F353-L363 HydrophobicContact CE1-CD1 4.03Å; F353-L363 HydrophobicContact CE1-CD2 4.46Å; F353-L363 HydrophobicContact CE1-CG 4.27Å; F353-L363 HydrophobicContact CG-CD1 4.18Å; F353-L363 HydrophobicContact CZ-CB 3.84Å; F353-R366 HydrophobicContact CE2-CG 4.36Å
354R97.1Very high93.9Very high150 Ų15047.4 Ų47.457%0.56624%0.244SC*.  trans-91.5107.8174.1-176.7175.8172.181.711109.8C320 E356 N359C320-R354 HydrophobicContact CB-CB 3.87Å; C320-R354 HydrophobicContact CB-CG 4.19Å; R354-E356 HydrophobicContact CG-CG 4.2Å; R354-E356 IonicContact CZ-OE1 2.67Å; R354-E356 IonicContact NE-OE1 3Å; R354-E356 PolarHBondContact NE-OE1 3.46Å; R354-E356 IonicContact NH2-OE1 3.89Å; R354-E356 PolarHBondContact NH2-OE1 3.18Å; R354-N359 PolarHBondContact O-ND2 3.5Å; R354-N359 PolarHBondContact O-OD1 2.99Å
355V97.3Very high94.5Very high15 Ų1550.8 Ų50.89%0.09127%0.265CS..  trans-81.7122.6180-173.90000110.2I287 V318 F353 L363 L387I287-V355 HydrophobicContact CD1-CG2 4.48Å; I287-V355 HydrophobicContact CG2-CG2 3.97Å; V318-V355 HydrophobicContact CG1-CG2 4.06Å; F353-V355 HydrophobicContact CD1-CG2 4Å; V355-L363 HydrophobicContact CB-CD2 4.26Å; V355-L363 HydrophobicContact CG1-CD2 3.69Å; V355-L363 HydrophobicContact CG2-CD2 3.69Å; V355-L387 HydrophobicContact CB-CD1 3.67Å; V355-L387 HydrophobicContact CG1-CD1 4.1Å; V355-L387 HydrophobicContact CG2-CD1 4.33Å
356E96.3Very high95.1Very high67 Ų6752.6 Ų52.631%0.31326%0.264SS..  trans-141.8157.2175-61-174.1155.900110.1R354 T358 N359 V360R354-E356 HydrophobicContact CG-CG 4.2Å; R354-E356 IonicContact CZ-OE1 2.67Å; R354-E356 IonicContact NE-OE1 3Å; R354-E356 PolarHBondContact NE-OE1 3.46Å; R354-E356 IonicContact NH2-OE1 3.89Å; R354-E356 PolarHBondContact NH2-OE1 3.18Å; E356-T358 PolarHBondContact O-N 3.05Å; E356-T358 VanDerWaalsContact O-N 3.1Å; E356-N359 PolarHBondContact N-OD1 3.05Å; E356-N359 PolarHBondContact O-N 3.45Å; E356-N359 PolarHBondContact O-OD1 3.35Å; E356-V360 WeakPolarHBondContact O-CG2 3.27Å; E356-V360 PolarHBondContact O-N 2.9Å
357S94.8Very high95.7Very high36 Ų3651.2 Ų51.225%0.25225%0.254SS..G310 helixtrans-56-31.2178.4-61.10000113.2N359 S390 E393S357-N359 VanDerWaalsContact C-N 3.31Å; S357-N359 PolarHBondContact O-N 2.94Å; S357-S390 PolarHBondContact N-OG 2.77Å; S357-S390 PolarHBondContact OG-OG 3.19Å; S357-E393 WeakPolarHBondContact CA-OE2 3.33Å; S357-E393 WeakPolarHBondContact CB-OE2 3.41Å; S357-E393 PolarHBondContact OG-OE1 2.87Å; S357-E393 PolarHBondContact OG-OE2 2.68Å
358T96.1Very high96Very high122 Ų12258.1 Ų58.175%0.74828%0.281SS*.G310 helixtrans-76.7-13.4-179.148.60000113.8E356E356-T358 PolarHBondContact O-N 3.05Å; E356-T358 VanDerWaalsContact O-N 3.1Å
359N97.2Very high96Very high35 Ų3563.7 Ų63.719%0.18731%0.307CS..G310 helixtrans-128.416.4-173.472.321.1000114.4R354 E356 S357 D361 L362 L363R354-N359 PolarHBondContact O-ND2 3.5Å; R354-N359 PolarHBondContact O-OD1 2.99Å; E356-N359 PolarHBondContact N-OD1 3.05Å; E356-N359 PolarHBondContact O-N 3.45Å; E356-N359 PolarHBondContact O-OD1 3.35Å; S357-N359 VanDerWaalsContact C-N 3.31Å; S357-N359 PolarHBondContact O-N 2.94Å; N359-D361 VanDerWaalsContact C-N 3.26Å; N359-D361 PolarHBondContact O-N 3.16Å; N359-L362 WeakPolarHBondContact O-CB 3.19Å; N359-L362 PolarHBondContact O-N 3.12Å; N359-L363 PolarHBondContact O-N 3.06Å
360V96.4Very high95.8Very high6 Ų662 Ų624%0.03630%0.3CS..Hα-helixtrans-56-38.6177.9177.10000112.1E356 L362 L363 Q364 E393 L394 K397E356-V360 WeakPolarHBondContact O-CG2 3.27Å; E356-V360 PolarHBondContact O-N 2.9Å; V360-L362 VanDerWaalsContact C-N 3.34Å; V360-L362 PolarHBondContact O-N 3.1Å; V360-L363 PolarHBondContact O-N 2.98Å; V360-Q364 WeakPolarHBondContact O-CB 3.36Å; V360-Q364 PolarHBondContact O-N 3.12Å; V360-E393 HydrophobicContact CG2-CB 4.41Å; V360-L394 HydrophobicContact CG1-CB 3.79Å; V360-L394 HydrophobicContact CG1-CD1 3.74Å; V360-L394 HydrophobicContact CG1-CG 4.38Å; V360-K397 HydrophobicContact CG1-CD 4.28Å
361D96.4Very high95.5Very high88 Ų8861.2 Ų61.247%0.47130%0.297SS..Hα-helixtrans-58.8-43.5174.8-73.9-72.2000113.3N359 Q364 T365 K397N359-D361 VanDerWaalsContact C-N 3.26Å; N359-D361 PolarHBondContact O-N 3.16Å; D361-Q364 PolarHBondContact O-N 3.22Å; D361-T365 PolarHBondContact O-N 2.98Å; D361-T365 PolarHBondContact O-OG1 3.1Å; D361-K397 WeakPolarHBondContact OD1-CE 3.39Å; D361-K397 IonicContact OD1-NZ 3.76Å; D361-K397 PolarHBondContact OD1-NZ 3.39Å; D361-K397 IonicContact OD2-NZ 3.33Å; D361-K397 PolarHBondContact OD2-NZ 3.01Å
362L97Very high95.1Very high88 Ų8864.1 Ų64.146%0.46132%0.318SS..Hα-helixtrans-68.7-40.2179.4-179.462.7000110.3F353 N359 V360 T365 R366F353-L362 HydrophobicContact CE2-CD2 3.96Å; F353-L362 HydrophobicContact CE2-CG 3.92Å; F353-L362 HydrophobicContact CZ-CB 4.26Å; F353-L362 HydrophobicContact CZ-CD2 4.15Å; F353-L362 HydrophobicContact CZ-CG 4.09Å; N359-L362 WeakPolarHBondContact O-CB 3.19Å; N359-L362 PolarHBondContact O-N 3.12Å; V360-L362 VanDerWaalsContact C-N 3.34Å; V360-L362 PolarHBondContact O-N 3.1Å; L362-T365 PolarHBondContact O-N 3Å; L362-R366 WeakPolarHBondContact O-CG 3.37Å; L362-R366 PolarHBondContact O-N 3.17Å
363L97Very high94.4Very high0 Ų061.9 Ų61.90%031%0.313CS..Hα-helixtrans-61.6-48.5174.4179.158.2000111.2L351 F353 V355 N359 V360 T365 R366 L367 L394L351-L363 HydrophobicContact CD2-CD1 4.45Å; F353-L363 HydrophobicContact CD1-CB 4.37Å; F353-L363 HydrophobicContact CD1-CD1 3.84Å; F353-L363 HydrophobicContact CE1-CB 3.68Å; F353-L363 HydrophobicContact CE1-CD1 4.03Å; F353-L363 HydrophobicContact CE1-CD2 4.46Å; F353-L363 HydrophobicContact CE1-CG 4.27Å; F353-L363 HydrophobicContact CG-CD1 4.18Å; F353-L363 HydrophobicContact CZ-CB 3.84Å; V355-L363 HydrophobicContact CB-CD2 4.26Å; V355-L363 HydrophobicContact CG1-CD2 3.69Å; V355-L363 HydrophobicContact CG2-CD2 3.69Å; N359-L363 PolarHBondContact O-N 3.06Å; V360-L363 PolarHBondContact O-N 2.98Å; L363-T365 VanDerWaalsContact C-N 3.28Å; L363-T365 PolarHBondContact O-N 2.91Å; L363-R366 CarbonylContact O-C 3.59Å; L363-R366 WeakPolarHBondContact O-CB 3.48Å; L363-R366 PolarHBondContact O-N 3.14Å; L363-L367 HydrophobicContact CD1-CD1 4.22Å; L363-L367 HydrophobicContact CD1-CD2 4.29Å; L363-L367 HydrophobicContact CD1-CG 3.98Å; L363-L367 HydrophobicContact CG-CD1 4.05Å; L363-L367 HydrophobicContact CG-CG 4.23Å; L363-L367 WeakPolarHBondContact O-CG 3.46Å; L363-L367 PolarHBondContact O-N 2.86Å; L363-L394 HydrophobicContact CD2-CD2 3.79Å; L363-L394 HydrophobicContact CG-CD2 4.31Å
364Q96Very high94Very high51 Ų5163.7 Ų63.724%0.23833%0.326CS..Hα-helixtrans-54.7-46176.8-177.51805.200111.1V360 D361 R366 L367 Y368 L394 D398V360-Q364 WeakPolarHBondContact O-CB 3.36Å; V360-Q364 PolarHBondContact O-N 3.12Å; D361-Q364 PolarHBondContact O-N 3.22Å; Q364-R366 VanDerWaalsContact C-N 3.35Å; Q364-R366 PolarHBondContact O-N 3.38Å; Q364-L367 PolarHBondContact O-N 3.08Å; Q364-Y368 WeakPolarHBondContact O-CB 3.12Å; Q364-Y368 PolarHBondContact O-N 3.06Å; Q364-L394 HydrophobicContact CB-CD1 4.12Å; Q364-D398 HydrophobicContact CG-CB 4.2Å; Q364-D398 PolarHBondContact NE2-OD1 3.03Å
365T96Very high93.7Very high79 Ų7959.5 Ų59.549%0.48532%0.315SS..Hα-helixtrans-60-43.5176.5-57.10000111.9D361 L362 L363 Y368 Q369D361-T365 PolarHBondContact O-N 2.98Å; D361-T365 PolarHBondContact O-OG1 3.1Å; L362-T365 PolarHBondContact O-N 3Å; L363-T365 VanDerWaalsContact C-N 3.28Å; L363-T365 PolarHBondContact O-N 2.91Å; T365-Y368 PolarHBondContact O-N 3.17Å; T365-Q369 WeakPolarHBondContact O-CG 3.44Å; T365-Q369 PolarHBondContact O-N 3.35Å
366R95.5Very high93.6Very high110 Ų11058.8 Ų58.842%0.41531%0.31SS..Hα-helixtrans-65.7-40.7176.5-69.9-67.6-172.1129.53112.1L351 F353 L362 L363 Q364 Q369 F370L351-R366 HydrophobicContact CD2-CB 4.41Å; F353-R366 HydrophobicContact CE2-CG 4.36Å; L362-R366 WeakPolarHBondContact O-CG 3.37Å; L362-R366 PolarHBondContact O-N 3.17Å; L363-R366 CarbonylContact O-C 3.59Å; L363-R366 WeakPolarHBondContact O-CB 3.48Å; L363-R366 PolarHBondContact O-N 3.14Å; Q364-R366 VanDerWaalsContact C-N 3.35Å; Q364-R366 PolarHBondContact O-N 3.38Å; R366-Q369 WeakPolarHBondContact O-CB 3.35Å; R366-Q369 PolarHBondContact O-N 2.91Å; R366-F370 WeakPolarHBondContact O-CD2 3.41Å; R366-F370 WeakPolarHBondContact O-CE2 3.28Å
367L95.5Very high93.6Very high0 Ų055.6 Ų55.60%030%0.296CS..Hα-helixtrans-65.2-42.9176.8-66.9-179.6000110.8I285 I316 L351 L363 Q364 Q369 F370 T371 L394I285-L367 HydrophobicContact CD1-CD2 4.21Å; I285-L367 HydrophobicContact CG2-CD1 4.04Å; I285-L367 HydrophobicContact CG2-CD2 3.8Å; I316-L367 HydrophobicContact CD1-CD2 4.47Å; I316-L367 HydrophobicContact CG2-CD2 4.28Å; L351-L367 HydrophobicContact CD2-CD2 4.49Å; L363-L367 HydrophobicContact CD1-CD1 4.22Å; L363-L367 HydrophobicContact CD1-CD2 4.29Å; L363-L367 HydrophobicContact CD1-CG 3.98Å; L363-L367 HydrophobicContact CG-CD1 4.05Å; L363-L367 HydrophobicContact CG-CG 4.23Å; L363-L367 WeakPolarHBondContact O-CG 3.46Å; L363-L367 PolarHBondContact O-N 2.86Å; Q364-L367 PolarHBondContact O-N 3.08Å; L367-Q369 PolarHBondContact O-N 3.14Å; L367-F370 CarbonylContact O-C 3.51Å; L367-F370 PolarHBondContact O-N 2.95Å; L367-T371 WeakPolarHBondContact O-CG2 2.99Å; L367-T371 PolarHBondContact O-N 3.01Å; L367-T371 PolarHBondContact O-OG1 3.31Å; L367-T371 VanDerWaalsContact O-OG1 3.14Å; L367-L394 HydrophobicContact CD1-CD2 3.92Å
368Y93.9Very high93.7Very high145 Ų14553.9 Ų53.957%0.56928%0.284SS*.Hα-helixtrans-55.8-37.8176.2-173.7-89.6000112.6Q364 T365 F370 T371 S372 G373Q364-Y368 WeakPolarHBondContact O-CB 3.12Å; Q364-Y368 PolarHBondContact O-N 3.06Å; T365-Y368 PolarHBondContact O-N 3.17Å; Y368-F370 PolarHBondContact O-N 3.24Å; Y368-T371 WeakPolarHBondContact CA-OG1 3.45Å; Y368-S372 VanDerWaalsContact O-CA 3.32Å; Y368-S372 WeakPolarHBondContact O-CA 3.45Å; Y368-S372 PolarHBondContact O-N 2.66Å; Y368-G373 VanDerWaalsContact CE2-CA 3.48Å
369Q92.1Very high93.8Very high119 Ų11948.1 Ų48.156%0.55625%0.248SC*.Hα-helixtrans-61.6-24.5175.7-69.2171.4-10.100113.8T365 R366 L367T365-Q369 WeakPolarHBondContact O-CG 3.44Å; T365-Q369 PolarHBondContact O-N 3.35Å; R366-Q369 WeakPolarHBondContact O-CB 3.35Å; R366-Q369 PolarHBondContact O-N 2.91Å; L367-Q369 PolarHBondContact O-N 3.14Å
370F89.3Confident93.8Very high61 Ų6146.4 Ų46.427%0.26824%0.239SC..Hα-helixtrans-104.5-30.6-179.8-61.9-62.5000113K283 I316 K349 L351 R366 L367 Y368K283-F370 PolarHBondContact NZ-O 2.77Å; I316-F370 HydrophobicContact CD1-CB 3.21Å; I316-F370 HydrophobicContact CD1-CD2 4.13Å; I316-F370 HydrophobicContact CD1-CG 3.95Å; I316-F370 HydrophobicContact CG1-CB 4.3Å; K349-F370 HydrophobicContact CG-CD1 4.41Å; K349-F370 HydrophobicContact CG-CE1 4.27Å; L351-F370 HydrophobicContact CD1-CE2 4.14Å; L351-F370 HydrophobicContact CD2-CE2 4.21Å; R366-F370 WeakPolarHBondContact O-CD2 3.41Å; R366-F370 WeakPolarHBondContact O-CE2 3.28Å; L367-F370 CarbonylContact O-C 3.51Å; L367-F370 PolarHBondContact O-N 2.95Å; Y368-F370 PolarHBondContact O-N 3.24Å
371T89.6Confident93.8Very high1 Ų147.4 Ų47.41%0.00624%0.244CC..Hα-helixtrans-84.1-22.3177.463.10000111.4K283 I285 I316 L367 Y368 G373 T374 Y376K283-T371 HydrophobicContact CD-CG2 4.19Å; K283-T371 PolarHBondContact NZ-O 3.48Å; I285-T371 HydrophobicContact CD1-CG2 4.09Å; I316-T371 HydrophobicContact CD1-CG2 4.13Å; L367-T371 WeakPolarHBondContact O-CG2 2.99Å; L367-T371 PolarHBondContact O-N 3.01Å; L367-T371 PolarHBondContact O-OG1 3.31Å; L367-T371 VanDerWaalsContact O-OG1 3.14Å; Y368-T371 WeakPolarHBondContact CA-OG1 3.45Å; T371-G373 PolarHBondContact O-N 3.08Å; T371-G373 PolarHBondContact OG1-N 2.76Å; T371-T374 WeakPolarHBondContact O-CB 3.43Å; T371-T374 VanDerWaalsContact O-CG2 3.28Å; T371-T374 WeakPolarHBondContact O-CG2 3.27Å; T371-T374 PolarHBondContact O-N 3.29Å; T371-T374 VanDerWaalsContact O-N 3.09Å; T371-T374 PolarHBondContact O-OG1 3.36Å; T371-Y376 HydrophobicContact CG2-CD1 4.06Å
372S87.1Confident93.6Very high75 Ų7545.6 Ų45.652%0.52423%0.233SC..THydrogen-bonded Turntrans55.434.2-171.3-54.10000111.5Y368 T374Y368-S372 VanDerWaalsContact O-CA 3.32Å; Y368-S372 WeakPolarHBondContact O-CA 3.45Å; Y368-S372 PolarHBondContact O-N 2.66Å; S372-T374 PolarHBondContact O-N 2.89Å
373G84.8Confident93.4Very high27 Ų2741.5 Ų41.528%0.27821%0.211SC..THydrogen-bonded Turntrans75.32.5-17700000115.3Y368 T371Y368-G373 VanDerWaalsContact CE2-CA 3.48Å; T371-G373 PolarHBondContact O-N 3.08Å; T371-G373 PolarHBondContact OG1-N 2.76Å
374T88.3Confident93.2Very high63 Ų6343.7 Ų43.739%0.38723%0.226SC..  trans-65.2145.7174.864.60000111K283 T371 S372K283-T374 WeakPolarHBondContact CD-OG1 3.23Å; T371-T374 WeakPolarHBondContact O-CB 3.43Å; T371-T374 VanDerWaalsContact O-CG2 3.28Å; T371-T374 WeakPolarHBondContact O-CG2 3.27Å; T371-T374 PolarHBondContact O-N 3.29Å; T371-T374 VanDerWaalsContact O-N 3.09Å; T371-T374 PolarHBondContact O-OG1 3.36Å; S372-T374 PolarHBondContact O-N 2.89Å
375N91.7Very high93.2Very high61 Ų6141.3 Ų41.333%0.32622%0.215SC..  trans-59.8147.5175-70.1-23.9000112.1L282 K283 S400 Q402L282-N375 HydrophobicContact CD2-CB 3.38Å; K283-N375 PolarHBondContact N-O 3.46Å; N375-S400 CarbonylContact C-O 3.59Å; N375-S400 VanDerWaalsContact CA-O 3.25Å; N375-S400 WeakPolarHBondContact CA-O 3.46Å; N375-Q402 HydrophobicContact CB-CG 3.67Å; N375-Q402 VanDerWaalsContact CG-CG 3.46Å
376Y94.4Very high93.2Very high0 Ų039 Ų390%020%0.2CC..EExtended strand (participates in β ladder)trans-143.1158.7-178.965.1-100.4000113.7K283 I285 T371 L378 D398 S400 A401 Q402K283-Y376 CarbonylContact O-C 3.52Å; K283-Y376 WeakPolarHBondContact O-CA 3.37Å; K283-Y376 WeakPolarHBondContact O-CB 3.37Å; I285-Y376 HydrophobicContact CB-CD2 4.13Å; I285-Y376 HydrophobicContact CB-CE2 4.37Å; I285-Y376 HydrophobicContact CD1-CD2 4.44Å; I285-Y376 HydrophobicContact CD1-CG 4.34Å; I285-Y376 HydrophobicContact CG1-CD1 4.32Å; I285-Y376 HydrophobicContact CG1-CD2 3.28Å; I285-Y376 HydrophobicContact CG1-CE2 3.72Å; I285-Y376 HydrophobicContact CG1-CG 3.61Å; T371-Y376 HydrophobicContact CG2-CD1 4.06Å; Y376-L378 HydrophobicContact CD2-CB 4.39Å; Y376-L378 HydrophobicContact CE2-CB 4.09Å; Y376-L378 HydrophobicContact CE2-CD1 4.22Å; Y376-D398 VanDerWaalsContact CE1-OD2 3.28Å; Y376-D398 WeakPolarHBondContact CE1-OD2 3.45Å; Y376-D398 VanDerWaalsContact CZ-OD2 3.3Å; Y376-D398 PolarHBondContact OH-OD2 3.12Å; Y376-S400 PolarHBondContact N-O 3.02Å; Y376-A401 HydrophobicContact CD2-CB 4.25Å; Y376-A401 HydrophobicContact CE1-CB 4.44Å; Y376-A401 HydrophobicContact CE2-CB 3.52Å; Y376-Q402 PolarHBondContact O-N 2.9Å
377L95.7Very high93.2Very high0 Ų035.7 Ų35.70%019%0.191CC..EExtended strand (participates in β ladder)trans-92.3121.6166.8-178.4159.8000108.6I159 K283 I284 I285 L379 I403 L405I159-L377 HydrophobicContact CD1-CD1 4.49Å; I159-L377 HydrophobicContact CG2-CD1 4.11Å; K283-L377 PolarHBondContact O-N 3.45Å; I284-L377 HydrophobicContact CG2-CD2 4.45Å; I285-L377 PolarHBondContact N-O 3.5Å; L377-L379 HydrophobicContact CD2-CB 3.65Å; L377-I403 CarbonylContact C-O 3.59Å; L377-I403 HydrophobicContact CB-CB 4.23Å; L377-I403 HydrophobicContact CD1-CB 4.33Å; L377-I403 HydrophobicContact CD1-CD1 4.38Å; L377-I403 HydrophobicContact CD1-CG2 4.06Å; L377-I403 HydrophobicContact CG-CB 3.97Å; L377-I403 HydrophobicContact CG-CG2 3.98Å; L377-L405 HydrophobicContact CD2-CB 4.35Å
378L97.6Very high93.3Very high0 Ų035.7 Ų35.70%019%0.191CC..EExtended strand (participates in β ladder)trans-88.6111.1173.2-170.561.6000109.6I285 I287 Y376 M391 L394 F395 I403 L404 L405I285-L378 HydrophobicContact CB-CD1 3.94Å; I285-L378 HydrophobicContact CG2-CD1 3.94Å; I287-L378 HydrophobicContact CD1-CD1 4.19Å; I287-L378 HydrophobicContact CG1-CD1 3.61Å; Y376-L378 HydrophobicContact CD2-CB 4.39Å; Y376-L378 HydrophobicContact CE2-CB 4.09Å; Y376-L378 HydrophobicContact CE2-CD1 4.22Å; L378-M391 HydrophobicContact CD1-CE 4.19Å; L378-M391 HydrophobicContact CD2-CB 4.38Å; L378-M391 HydrophobicContact CD2-CE 4.29Å; L378-M391 WeakPolarHBondContact CD2-O 3.47Å; L378-M391 HydrophobicContact CG-CE 3.76Å; L378-L394 HydrophobicContact CD1-CD2 3.97Å; L378-L394 HydrophobicContact CD2-CB 4.27Å; L378-L394 HydrophobicContact CD2-CD2 3.9Å; L378-L394 HydrophobicContact CD2-CG 4.17Å; L378-F395 HydrophobicContact CD2-CB 4.1Å; L378-I403 PolarHBondContact N-O 3.17Å; L378-L404 HydrophobicContact CB-CD1 4.28Å; L378-L404 HydrophobicContact CD2-CD1 4.07Å; L378-L404 HydrophobicContact CG-CD1 4.2Å; L378-L404 WeakPolarHBondContact O-CA 3.43Å; L378-L405 PolarHBondContact O-N 2.85Å
379L97.9Very high93.3Very high1 Ų130 Ų301%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-110.1140.4-174.4177.562.2000110.4I152 I156 I284 I285 D286 I287 L294 I298 L377 M391 L405I152-L379 HydrophobicContact CG2-CD1 4.21Å; I156-L379 HydrophobicContact CD1-CD1 4.06Å; I156-L379 HydrophobicContact CD1-CD2 3.63Å; I156-L379 HydrophobicContact CD1-CG 4.49Å; I284-L379 HydrophobicContact CG2-CB 4.29Å; I284-L379 HydrophobicContact CG2-CD2 4.02Å; I285-L379 WeakPolarHBondContact O-CA 3.23Å; I285-L379 PolarHBondContact O-N 3.05Å; I285-L379 VanDerWaalsContact O-O 3.12Å; D286-L379 HydrophobicContact CB-CD2 4.32Å; I287-L379 PolarHBondContact N-O 2.94Å; L294-L379 HydrophobicContact CD2-CD2 3.67Å; L294-L379 HydrophobicContact CD2-CG 4.22Å; L294-L379 HydrophobicContact CG-CD2 4.24Å; I298-L379 HydrophobicContact CD1-CD2 3.99Å; L377-L379 HydrophobicContact CD2-CB 3.65Å; L379-M391 VanDerWaalsContact C-CE 3.49Å; L379-M391 VanDerWaalsContact O-CE 3.27Å; L379-M391 WeakPolarHBondContact O-CE 3.27Å; L379-L405 CarbonylContact C-O 3.47Å; L379-L405 WeakPolarHBondContact CA-O 3.36Å; L379-L405 HydrophobicContact CD1-CB 4.16Å; L379-L405 HydrophobicContact CD1-CD2 3.9Å; L379-L405 HydrophobicContact CD1-CG 4.01Å
380G97.4Very high93.6Very high0 Ų024.4 Ų24.40%014%0.143CC..EExtended strand (participates in β ladder)trans-150.2116.2171.300000111.3C383 L405 L406 V407G380-C383 WeakPolarHBondContact CA-SG 3.3Å; G380-L405 PolarHBondContact N-O 2.94Å; G380-L406 WeakPolarHBondContact O-CA 3.36Å; G380-V407 PolarHBondContact O-N 2.83Å
381L95.9Very high94Very high26 Ų2621.5 Ų21.514%0.13613%0.13CC..EExtended strand (participates in β ladder)trans-105.1115178175.453.4000110.3L149 I152 L294 V407 F625L149-L381 HydrophobicContact CD2-CD2 4.36Å; I152-L381 HydrophobicContact CD1-CB 4.14Å; I152-L381 HydrophobicContact CD1-CD1 3.3Å; I152-L381 HydrophobicContact CD1-CD2 3.77Å; I152-L381 HydrophobicContact CD1-CG 3.89Å; L294-L381 HydrophobicContact CD2-CB 3.89Å; L294-L381 HydrophobicContact CD2-CD2 3.94Å; L381-V407 HydrophobicContact CD1-CB 4.02Å; L381-V407 HydrophobicContact CD1-CG1 4.26Å; L381-V407 HydrophobicContact CD1-CG2 4.06Å; L381-F625 HydrophobicContact CD1-CE2 4.01Å; L381-F625 HydrophobicContact CD1-CZ 3.87Å
382H93Very high94.3Very high50 Ų5021.6 Ų21.623%0.23113%0.131CC..EExtended strand (participates in β ladder)trans64.440.8-177.8-59.1-59.5000113.6E148 C384 V407 C409E148-H382 IonicContact OE1-CE1 2.98Å; E148-H382 IonicContact OE1-NE2 3.74Å; E148-H382 PolarHBondContact OE1-NE2 2.85Å; E148-H382 VanDerWaalsContact OE1-NE2 3.14Å; E148-H382 IonicContact OE2-CD2 2.59Å; E148-H382 IonicContact OE2-NE2 2.7Å; E148-H382 PolarHBondContact OE2-NE2 2.81Å; H382-C384 PolarHBondContact O-N 3.05Å; H382-C384 PolarHBondContact O-SG 3.42Å; H382-V407 CarbonylContact C-O 3.47Å; H382-V407 WeakPolarHBondContact CA-O 3.42Å; H382-V407 PolarHBondContact N-O 2.94Å; H382-C409 VanDerWaalsContact C-SG 3.56Å; H382-C409 HydrophobicContact CB-CB 4.34Å; H382-C409 PolarHBondContact O-SG 3.47Å
383C93.3Very high94.8Very high2 Ų219.7 Ų19.71%0.01411%0.114CC..EExtended strand (participates in β ladder)trans-66.6106.3176.3-69.50000110.6I287 G380 L387 S388 M391 L406 V407I287-C383 PolarHBondContact O-SG 2.9Å; G380-C383 WeakPolarHBondContact CA-SG 3.3Å; C383-L387 HydrophobicContact CB-CB 4.37Å; C383-L387 HydrophobicContact CB-CD2 4.03Å; C383-L387 HydrophobicContact CB-CG 4.04Å; C383-S388 PolarHBondContact O-OG 3.44Å; C383-M391 HydrophobicContact CB-SD 4.25Å; C383-M391 PolarHBondContact SG-SD 3.42Å; C383-L406 HydrophobicContact CB-CD1 3.71Å; C383-V407 PolarHBondContact N-O 3Å
384C93.2Very high95.3Very high46 Ų4618.5 Ų18.531%0.31110%0.101SC..  trans-74.6139.2-175.1-66.80000112.4H382 D386 L387 C409 C410 K413H382-C384 PolarHBondContact O-N 3.05Å; H382-C384 PolarHBondContact O-SG 3.42Å; C384-D386 PolarHBondContact O-N 2.81Å; C384-L387 WeakPolarHBondContact O-CB 3.24Å; C384-L387 PolarHBondContact O-N 3.32Å; C384-C409 PolarHBondContact SG-SG 3.34Å; C384-C410 HydrophobicContact CB-CB 4.01Å; C384-K413 HydrophobicContact CB-CD 4.28Å
385G94.3Very high95.7Very high1 Ų115.5 Ų15.51%0.018%0.082CC..THydrogen-bonded Turntrans55.8-133.9167.100000113.9L387 S388 C410G385-L387 PolarHBondContact O-N 2.82Å; G385-S388 PolarHBondContact O-N 3.21Å; G385-C410 PolarHBondContact N-O 3.04Å
386D96.3Very high95.8Very high32 Ų3213.2 Ų13.217%0.1717%0.07CC..Hα-helixtrans-61-21.5-178.1-73.411.9000113.9C384 S388 Q389 S390 M414 T415 K418C384-D386 PolarHBondContact O-N 2.81Å; D386-S388 PolarHBondContact O-N 3.49Å; D386-Q389 WeakPolarHBondContact O-CB 3.37Å; D386-Q389 PolarHBondContact O-N 3.39Å; D386-S390 PolarHBondContact O-N 3.38Å; D386-S390 PolarHBondContact O-OG 3.04Å; D386-M414 VanDerWaalsContact OD1-CA 3.25Å; D386-M414 WeakPolarHBondContact OD1-CA 3.47Å; D386-T415 PolarHBondContact OD1-N 3.42Å; D386-T415 PolarHBondContact OD2-OG1 3.2Å; D386-K418 WeakPolarHBondContact OD2-CD 3.42Å; D386-K418 WeakPolarHBondContact OD2-CE 3.34Å; D386-K418 IonicContact OD2-NZ 2.91Å; D386-K418 PolarHBondContact OD2-NZ 3.2Å
387L97Very high95.6Very high40 Ų4017.5 Ų17.521%0.2099%0.088CC..Hα-helixtrans-58.8-38.9177.7-177.960.7000111.7I287 V355 C383 C384 G385 Q389 S390 M391I287-L387 HydrophobicContact CG2-CD1 3.73Å; I287-L387 HydrophobicContact CG2-CD2 4.39Å; I287-L387 HydrophobicContact CG2-CG 4.27Å; V355-L387 HydrophobicContact CB-CD1 3.67Å; V355-L387 HydrophobicContact CG1-CD1 4.1Å; V355-L387 HydrophobicContact CG2-CD1 4.33Å; C383-L387 HydrophobicContact CB-CB 4.37Å; C383-L387 HydrophobicContact CB-CD2 4.03Å; C383-L387 HydrophobicContact CB-CG 4.04Å; C384-L387 WeakPolarHBondContact O-CB 3.24Å; C384-L387 PolarHBondContact O-N 3.32Å; G385-L387 PolarHBondContact O-N 2.82Å; L387-Q389 VanDerWaalsContact C-N 3.28Å; L387-Q389 PolarHBondContact O-N 3.36Å; L387-S390 PolarHBondContact O-N 2.99Å; L387-M391 WeakPolarHBondContact O-CG 3.44Å; L387-M391 PolarHBondContact O-N 2.64Å; L387-M391 VanDerWaalsContact O-N 3.09Å
388S96Very high95.5Very high0 Ų017.8 Ų17.80%09%0.09CC..Hα-helixtrans-58.3-41.8174.4-75.30000111.7C383 G385 D386 I392 R596C383-S388 PolarHBondContact O-OG 3.44Å; G385-S388 PolarHBondContact O-N 3.21Å; D386-S388 PolarHBondContact O-N 3.49Å; S388-I392 WeakPolarHBondContact O-CG1 3.14Å; S388-I392 PolarHBondContact O-N 3.49Å; S388-R596 VanDerWaalsContact CB-CZ 3.48Å; S388-R596 PolarHBondContact OG-NH1 2.85Å
389Q95.4Very high95.2Very high26 Ų2622 Ų2212%0.12111%0.113CC..Hα-helixtrans-70.9-45.4-178.8-177.9-178.9-17.600111.1D386 L387 M391 I392 E393 T421D386-Q389 WeakPolarHBondContact O-CB 3.37Å; D386-Q389 PolarHBondContact O-N 3.39Å; L387-Q389 VanDerWaalsContact C-N 3.28Å; L387-Q389 PolarHBondContact O-N 3.36Å; Q389-M391 PolarHBondContact O-N 2.97Å; Q389-I392 WeakPolarHBondContact O-CB 3.43Å; Q389-I392 PolarHBondContact O-N 3.09Å; Q389-E393 WeakPolarHBondContact CG-OE1 3.19Å; Q389-E393 PolarHBondContact NE2-OE1 2.99Å; Q389-E393 WeakPolarHBondContact O-CG 3.47Å; Q389-E393 PolarHBondContact O-N 3.06Å; Q389-T421 HydrophobicContact CG-CG2 4.25Å
390S97.1Very high94.9Very high1 Ų122.9 Ų22.91%0.00712%0.118CC..Hα-helixtrans-61.9-30.5178.1-53.80000112.7S357 D386 L387 L394S357-S390 PolarHBondContact N-OG 2.77Å; S357-S390 PolarHBondContact OG-OG 3.19Å; D386-S390 PolarHBondContact O-N 3.38Å; D386-S390 PolarHBondContact O-OG 3.04Å; L387-S390 PolarHBondContact O-N 2.99Å; S390-L394 PolarHBondContact O-N 3.45Å
391M97.5Very high94.8Very high0 Ų022.9 Ų22.90%012%0.118CC..Hα-helixtrans-68.4-40.1170.7-74.7-176.371.300113.4I287 L378 L379 C383 L387 Q389 E393 L394 F395 L404 L406I287-M391 HydrophobicContact CB-CE 3.76Å; I287-M391 HydrophobicContact CB-CG 4.09Å; I287-M391 HydrophobicContact CB-SD 3.6Å; I287-M391 HydrophobicContact CG1-CE 3.83Å; I287-M391 HydrophobicContact CG1-CG 4.18Å; I287-M391 HydrophobicContact CG1-SD 4.15Å; I287-M391 HydrophobicContact CG2-CE 4.5Å; I287-M391 HydrophobicContact CG2-CG 3.83Å; I287-M391 HydrophobicContact CG2-SD 3.72Å; L378-M391 HydrophobicContact CD1-CE 4.19Å; L378-M391 HydrophobicContact CD2-CB 4.38Å; L378-M391 HydrophobicContact CD2-CE 4.29Å; L378-M391 WeakPolarHBondContact CD2-O 3.47Å; L378-M391 HydrophobicContact CG-CE 3.76Å; L379-M391 VanDerWaalsContact C-CE 3.49Å; L379-M391 VanDerWaalsContact O-CE 3.27Å; L379-M391 WeakPolarHBondContact O-CE 3.27Å; C383-M391 HydrophobicContact CB-SD 4.25Å; C383-M391 PolarHBondContact SG-SD 3.42Å; L387-M391 WeakPolarHBondContact O-CG 3.44Å; L387-M391 PolarHBondContact O-N 2.64Å; L387-M391 VanDerWaalsContact O-N 3.09Å; Q389-M391 PolarHBondContact O-N 2.97Å; M391-E393 VanDerWaalsContact C-N 3.33Å; M391-L394 PolarHBondContact O-N 3.48Å; M391-F395 WeakPolarHBondContact O-CB 3.1Å; M391-F395 PolarHBondContact O-N 3.22Å; M391-L404 HydrophobicContact CE-CD1 4.38Å; M391-L406 HydrophobicContact CE-CD1 4.12Å; M391-L406 HydrophobicContact SD-CD1 3.69Å
392I97.1Very high94.7Very high3 Ų321.7 Ų21.72%0.01511%0.112CC..Hα-helixtrans-63.3-43.7175.4-69.4166.1000110S388 Q389 F395 Q396 L404 L406 R596 Y599 L600 L636S388-I392 WeakPolarHBondContact O-CG1 3.14Å; S388-I392 PolarHBondContact O-N 3.49Å; Q389-I392 WeakPolarHBondContact O-CB 3.43Å; Q389-I392 PolarHBondContact O-N 3.09Å; I392-F395 PolarHBondContact O-N 3.47Å; I392-Q396 WeakPolarHBondContact O-CG 3.3Å; I392-Q396 PolarHBondContact O-N 3.32Å; I392-L404 HydrophobicContact CG1-CD2 4.03Å; I392-L406 HydrophobicContact CD1-CD2 4.2Å; I392-L406 HydrophobicContact CG1-CD2 4.03Å; I392-R596 HydrophobicContact CD1-CB 4.06Å; I392-R596 HydrophobicContact CD1-CG 4.21Å; I392-Y599 HydrophobicContact CG2-CD1 3.66Å; I392-Y599 HydrophobicContact CG2-CE1 3.81Å; I392-L600 HydrophobicContact CD1-CD1 4.49Å; I392-L600 HydrophobicContact CG1-CD1 4.31Å; I392-L600 HydrophobicContact CG2-CD1 4.12Å; I392-L600 HydrophobicContact CG2-CD2 3.81Å; I392-L600 HydrophobicContact CG2-CG 3.66Å; I392-L636 HydrophobicContact CD1-CD2 4.29Å
393E96.2Very high94.7Very high35 Ų3519.3 Ų19.316%0.16410%0.101CC..Hα-helixtrans-61.1-43.4175.9-69.5164.5-178.700111.6S357 V360 Q389 M391 Q396 K397S357-E393 WeakPolarHBondContact CA-OE2 3.33Å; S357-E393 WeakPolarHBondContact CB-OE2 3.41Å; S357-E393 PolarHBondContact OG-OE1 2.87Å; S357-E393 PolarHBondContact OG-OE2 2.68Å; V360-E393 HydrophobicContact CG2-CB 4.41Å; Q389-E393 WeakPolarHBondContact CG-OE1 3.19Å; Q389-E393 PolarHBondContact NE2-OE1 2.99Å; Q389-E393 WeakPolarHBondContact O-CG 3.47Å; Q389-E393 PolarHBondContact O-N 3.06Å; M391-E393 VanDerWaalsContact C-N 3.33Å; E393-Q396 PolarHBondContact O-N 3.47Å; E393-K397 VanDerWaalsContact O-CB 3.26Å; E393-K397 WeakPolarHBondContact O-CB 3.19Å; E393-K397 PolarHBondContact O-N 2.76Å
394L96.9Very high94.9Very high1 Ų119.2 Ų19.21%0.00510%0.101CC..Hα-helixtrans-60.1-47.1173.2177.564.4000111.8V360 L363 Q364 L367 L378 S390 M391 Q396 K397 D398V360-L394 HydrophobicContact CG1-CB 3.79Å; V360-L394 HydrophobicContact CG1-CD1 3.74Å; V360-L394 HydrophobicContact CG1-CG 4.38Å; L363-L394 HydrophobicContact CD2-CD2 3.79Å; L363-L394 HydrophobicContact CG-CD2 4.31Å; Q364-L394 HydrophobicContact CB-CD1 4.12Å; L367-L394 HydrophobicContact CD1-CD2 3.92Å; L378-L394 HydrophobicContact CD1-CD2 3.97Å; L378-L394 HydrophobicContact CD2-CB 4.27Å; L378-L394 HydrophobicContact CD2-CD2 3.9Å; L378-L394 HydrophobicContact CD2-CG 4.17Å; S390-L394 PolarHBondContact O-N 3.45Å; M391-L394 PolarHBondContact O-N 3.48Å; L394-Q396 VanDerWaalsContact C-N 3.32Å; L394-Q396 PolarHBondContact O-N 3.23Å; L394-K397 PolarHBondContact O-N 3.21Å; L394-D398 HydrophobicContact CD1-CB 4.12Å; L394-D398 WeakPolarHBondContact O-CB 3.26Å; L394-D398 PolarHBondContact O-N 3.39Å
395F96.6Very high95.1Very high0 Ų017.1 Ų17.10%09%0.086CC..Hα-helixtrans-60.8-40.7179.9172.9-101000112.5L378 M391 I392 A401 L404 L600 Y616 V638 K640L378-F395 HydrophobicContact CD2-CB 4.1Å; M391-F395 WeakPolarHBondContact O-CB 3.1Å; M391-F395 PolarHBondContact O-N 3.22Å; I392-F395 PolarHBondContact O-N 3.47Å; F395-A401 HydrophobicContact CD2-CB 3.9Å; F395-A401 WeakPolarHBondContact CD2-O 3.34Å; F395-A401 VanDerWaalsContact CE2-O 3.29Å; F395-A401 WeakPolarHBondContact CE2-O 3.22Å; F395-L404 HydrophobicContact CB-CB 4.41Å; F395-L404 HydrophobicContact CB-CD1 4.46Å; F395-L404 HydrophobicContact CB-CD2 4.4Å; F395-L404 HydrophobicContact CD1-CB 4.22Å; F395-L404 HydrophobicContact CD1-CD2 4.34Å; F395-L404 HydrophobicContact CD2-CB 3.66Å; F395-L404 HydrophobicContact CE1-CB 4.4Å; F395-L404 HydrophobicContact CE2-CB 3.87Å; F395-L404 HydrophobicContact CG-CB 3.83Å; F395-L404 HydrophobicContact CG-CD2 4.33Å; F395-L404 HydrophobicContact CZ-CB 4.22Å; F395-L600 HydrophobicContact CD1-CD2 3.62Å; F395-L600 HydrophobicContact CE1-CD2 3.89Å; F395-Y616 AromaticContact CE1-CE1 3.87Å; F395-Y616 HydrophobicContact CE1-CE1 3.87Å; F395-Y616 HydrophobicContact CZ-CE1 4.33Å; F395-V638 HydrophobicContact CE1-CB 4.08Å; F395-V638 HydrophobicContact CE1-CG1 3.72Å; F395-V638 HydrophobicContact CZ-CB 4.06Å; F395-V638 HydrophobicContact CZ-CG1 3.82Å; F395-K640 HydrophobicContact CE2-CD 4.43Å; F395-K640 HydrophobicContact CE2-CG 4.26Å; F395-K640 HydrophobicContact CZ-CD 4.3Å; F395-K640 HydrophobicContact CZ-CG 3.78Å; F395-K640 WeakPolarHBondContact O-CE 3.3Å; F395-K640 PolarHBondContact O-NZ 3.43Å
396Q92.8Very high95.3Very high14 Ų1417.2 Ų17.27%0.0659%0.087CC..Hα-helixtrans-65.1-42.3176.5-76.9173.4-29.400111.8I392 E393 L394 Y599 L600 Y603I392-Q396 WeakPolarHBondContact O-CG 3.3Å; I392-Q396 PolarHBondContact O-N 3.32Å; E393-Q396 PolarHBondContact O-N 3.47Å; L394-Q396 VanDerWaalsContact C-N 3.32Å; L394-Q396 PolarHBondContact O-N 3.23Å; Q396-Y599 PolarHBondContact NE2-O 2.95Å; Q396-Y599 VanDerWaalsContact NE2-O 3.16Å; Q396-L600 HydrophobicContact CG-CD2 4.05Å; Q396-Y603 HydrophobicContact CB-CD1 3.82Å; Q396-Y603 HydrophobicContact CB-CD2 4.46Å; Q396-Y603 HydrophobicContact CB-CE1 3.72Å; Q396-Y603 HydrophobicContact CB-CE2 4.37Å; Q396-Y603 HydrophobicContact CB-CG 4.21Å; Q396-Y603 HydrophobicContact CG-CD1 3.79Å; Q396-Y603 HydrophobicContact CG-CD2 4.48Å; Q396-Y603 HydrophobicContact CG-CE1 4.23Å; Q396-Y603 HydrophobicContact CG-CG 3.94Å
397K91.3Very high95.3Very high89 Ų8915.8 Ų15.839%0.3878%0.079SC..Hα-helixtrans-79.7-38.9-173.9-174.5168.2-177.51590114.3V360 D361 E393 L394V360-K397 HydrophobicContact CG1-CD 4.28Å; D361-K397 WeakPolarHBondContact OD1-CE 3.39Å; D361-K397 IonicContact OD1-NZ 3.76Å; D361-K397 PolarHBondContact OD1-NZ 3.39Å; D361-K397 IonicContact OD2-NZ 3.33Å; D361-K397 PolarHBondContact OD2-NZ 3.01Å; E393-K397 VanDerWaalsContact O-CB 3.26Å; E393-K397 WeakPolarHBondContact O-CB 3.19Å; E393-K397 PolarHBondContact O-N 2.76Å; L394-K397 PolarHBondContact O-N 3.21Å
398D93.4Very high95.2Very high6 Ų614.2 Ų14.23%0.0327%0.072CC..  trans-91.3110.7-176.8-170.3-3.5000111.1Q364 Y376 L394 S400 A401 K640Q364-D398 HydrophobicContact CG-CB 4.2Å; Q364-D398 PolarHBondContact NE2-OD1 3.03Å; Y376-D398 VanDerWaalsContact CE1-OD2 3.28Å; Y376-D398 WeakPolarHBondContact CE1-OD2 3.45Å; Y376-D398 VanDerWaalsContact CZ-OD2 3.3Å; Y376-D398 PolarHBondContact OH-OD2 3.12Å; L394-D398 HydrophobicContact CD1-CB 4.12Å; L394-D398 WeakPolarHBondContact O-CB 3.26Å; L394-D398 PolarHBondContact O-N 3.39Å; D398-S400 PolarHBondContact O-N 3.19Å; D398-S400 VanDerWaalsContact OD1-CB 3.29Å; D398-S400 WeakPolarHBondContact OD1-CB 3.35Å; D398-S400 PolarHBondContact OD1-N 3.31Å; D398-S400 PolarHBondContact OD1-OG 3.23Å; D398-A401 HydrophobicContact CB-CB 4.28Å; D398-A401 WeakPolarHBondContact O-CB 3.41Å; D398-A401 PolarHBondContact O-N 3.03Å; D398-K640 PolarHBondContact O-NZ 2.69Å
399N90.3Very high95.1Very high90 Ų9014.8 Ų14.848%0.4818%0.076SC..THydrogen-bonded Turntrans-61-24.6175.2-76.5-32.7000112.9A401 Q402 Y645N399-A401 VanDerWaalsContact C-N 3.27Å; N399-A401 PolarHBondContact O-N 3.45Å; N399-Q402 PolarHBondContact O-NE2 2.9Å; N399-Y645 HydrophobicContact CB-CE1 4Å; N399-Y645 PolarHBondContact OD1-OH 2.85Å
400S92.7Very high95Very high18 Ų1815 Ų1513%0.1268%0.08CC..THydrogen-bonded Turntrans-72.3-23.1176.8-31.90000111.9N375 Y376 D398 Q402N375-S400 CarbonylContact C-O 3.59Å; N375-S400 VanDerWaalsContact CA-O 3.25Å; N375-S400 WeakPolarHBondContact CA-O 3.46Å; Y376-S400 PolarHBondContact N-O 3.02Å; D398-S400 PolarHBondContact O-N 3.19Å; D398-S400 VanDerWaalsContact OD1-CB 3.29Å; D398-S400 WeakPolarHBondContact OD1-CB 3.35Å; D398-S400 PolarHBondContact OD1-N 3.31Å; D398-S400 PolarHBondContact OD1-OG 3.23Å; S400-Q402 PolarHBondContact O-N 2.89Å
401A94.6Very high94.9Very high0 Ų015.1 Ų15.10%08%0.08CC..EExtended strand (participates in β ladder)trans-75.992.8174.600000109.7Y376 F395 D398 N399 K640Y376-A401 HydrophobicContact CD2-CB 4.25Å; Y376-A401 HydrophobicContact CE1-CB 4.44Å; Y376-A401 HydrophobicContact CE2-CB 3.52Å; F395-A401 HydrophobicContact CD2-CB 3.9Å; F395-A401 WeakPolarHBondContact CD2-O 3.34Å; F395-A401 VanDerWaalsContact CE2-O 3.29Å; F395-A401 WeakPolarHBondContact CE2-O 3.22Å; D398-A401 HydrophobicContact CB-CB 4.28Å; D398-A401 WeakPolarHBondContact O-CB 3.41Å; D398-A401 PolarHBondContact O-N 3.03Å; N399-A401 VanDerWaalsContact C-N 3.27Å; N399-A401 PolarHBondContact O-N 3.45Å; A401-K640 WeakPolarHBondContact O-CD 3.44Å; A401-K640 WeakPolarHBondContact O-CE 3.24Å; A401-K640 PolarHBondContact O-NZ 3.38Å
402Q92.9Very high94.7Very high2 Ų218 Ų181%0.0099%0.094CC..EExtended strand (participates in β ladder)trans-85.8-28.1-174.8-71-63.9-42.100113L282 N375 Y376 N399 S400 K640L282-Q402 HydrophobicContact CD2-CB 4.21Å; L282-Q402 HydrophobicContact CD2-CG 4.44Å; N375-Q402 HydrophobicContact CB-CG 3.67Å; N375-Q402 VanDerWaalsContact CG-CG 3.46Å; Y376-Q402 PolarHBondContact O-N 2.9Å; N399-Q402 PolarHBondContact O-NE2 2.9Å; S400-Q402 PolarHBondContact O-N 2.89Å; Q402-K640 PolarHBondContact O-N 3.49Å
403I94.8Very high94.6Very high0 Ų024.1 Ų24.10%012%0.12CC..EExtended strand (participates in β ladder)trans-131.5135.3-179.2-53.6179.4000109.6I159 F163 L282 L377 L378 L637 V638I159-I403 HydrophobicContact CG2-CD1 3.35Å; I159-I403 HydrophobicContact CG2-CG2 4.47Å; F163-I403 HydrophobicContact CD1-CD1 4.47Å; F163-I403 HydrophobicContact CD2-CD1 3.77Å; F163-I403 HydrophobicContact CE1-CD1 4.01Å; F163-I403 HydrophobicContact CE1-CG1 4.31Å; F163-I403 HydrophobicContact CE2-CD1 3.23Å; F163-I403 HydrophobicContact CE2-CG1 4.03Å; F163-I403 HydrophobicContact CG-CD1 4.36Å; F163-I403 HydrophobicContact CZ-CD1 3.36Å; F163-I403 HydrophobicContact CZ-CG1 3.68Å; L282-I403 HydrophobicContact CD1-CD1 3.34Å; L282-I403 HydrophobicContact CD1-CG1 3.86Å; L377-I403 CarbonylContact C-O 3.59Å; L377-I403 HydrophobicContact CB-CB 4.23Å; L377-I403 HydrophobicContact CD1-CB 4.33Å; L377-I403 HydrophobicContact CD1-CD1 4.38Å; L377-I403 HydrophobicContact CD1-CG2 4.06Å; L377-I403 HydrophobicContact CG-CB 3.97Å; L377-I403 HydrophobicContact CG-CG2 3.98Å; L378-I403 PolarHBondContact N-O 3.17Å; I403-L637 HydrophobicContact CG2-CD1 3.87Å; I403-V638 CarbonylContact C-O 3.53Å; I403-V638 VanDerWaalsContact CA-O 3.31Å; I403-V638 WeakPolarHBondContact CA-O 3.5Å
404L96.9Very high94.4Very high0 Ų023.3 Ų23.30%012%0.117CC..EExtended strand (participates in β ladder)trans-109126.7166.2177.266000108.8L378 M391 I392 F395 L406 L600 L636 L637 V638L378-L404 HydrophobicContact CB-CD1 4.28Å; L378-L404 HydrophobicContact CD2-CD1 4.07Å; L378-L404 HydrophobicContact CG-CD1 4.2Å; L378-L404 WeakPolarHBondContact O-CA 3.43Å; M391-L404 HydrophobicContact CE-CD1 4.38Å; I392-L404 HydrophobicContact CG1-CD2 4.03Å; F395-L404 HydrophobicContact CB-CB 4.41Å; F395-L404 HydrophobicContact CB-CD1 4.46Å; F395-L404 HydrophobicContact CB-CD2 4.4Å; F395-L404 HydrophobicContact CD1-CB 4.22Å; F395-L404 HydrophobicContact CD1-CD2 4.34Å; F395-L404 HydrophobicContact CD2-CB 3.66Å; F395-L404 HydrophobicContact CE1-CB 4.4Å; F395-L404 HydrophobicContact CE2-CB 3.87Å; F395-L404 HydrophobicContact CG-CB 3.83Å; F395-L404 HydrophobicContact CG-CD2 4.33Å; F395-L404 HydrophobicContact CZ-CB 4.22Å; L404-L406 HydrophobicContact CD1-CB 4.09Å; L404-L406 HydrophobicContact CG-CB 4.21Å; L404-L600 HydrophobicContact CD2-CD1 4.17Å; L404-L636 HydrophobicContact CD2-CD2 4.14Å; L404-L637 WeakPolarHBondContact O-CA 3.11Å; L404-V638 HydrophobicContact CB-CB 4.27Å; L404-V638 PolarHBondContact N-O 2.67Å; L404-V638 PolarHBondContact O-N 3.38Å
405L96.9Very high94.2Very high2 Ų226 Ų261%0.0113%0.133CC..EExtended strand (participates in β ladder)trans-127.2105.2169.2-178.860.2000109.3L155 I156 I159 L377 L378 L379 G380 A635 L636 L637L155-L405 HydrophobicContact CD2-CD1 3.82Å; L155-L405 HydrophobicContact CD2-CD2 4.09Å; L155-L405 HydrophobicContact CG-CD2 4.39Å; I156-L405 HydrophobicContact CD1-CD2 4.47Å; I156-L405 HydrophobicContact CG1-CD2 3.84Å; I159-L405 HydrophobicContact CD1-CD2 4.02Å; L377-L405 HydrophobicContact CD2-CB 4.35Å; L378-L405 PolarHBondContact O-N 2.85Å; L379-L405 CarbonylContact C-O 3.47Å; L379-L405 WeakPolarHBondContact CA-O 3.36Å; L379-L405 HydrophobicContact CD1-CB 4.16Å; L379-L405 HydrophobicContact CD1-CD2 3.9Å; L379-L405 HydrophobicContact CD1-CG 4.01Å; G380-L405 PolarHBondContact N-O 2.94Å; L405-A635 HydrophobicContact CD1-CB 3.94Å; L405-L636 CarbonylContact C-O 3.57Å; L405-L636 WeakPolarHBondContact CA-O 3.24Å; L405-L637 HydrophobicContact CD1-CD1 4.38Å
406L98Very high93.9Very high3 Ų328.1 Ų28.12%0.01615%0.146CC..EExtended strand (participates in β ladder)trans-131.8123.5-167.7176.564.4000112.7G380 C383 M391 I392 L404 A635 L636G380-L406 WeakPolarHBondContact O-CA 3.36Å; C383-L406 HydrophobicContact CB-CD1 3.71Å; M391-L406 HydrophobicContact CE-CD1 4.12Å; M391-L406 HydrophobicContact SD-CD1 3.69Å; I392-L406 HydrophobicContact CD1-CD2 4.2Å; I392-L406 HydrophobicContact CG1-CD2 4.03Å; L404-L406 HydrophobicContact CD1-CB 4.09Å; L404-L406 HydrophobicContact CG-CB 4.21Å; L406-A635 CarbonylContact O-C 3.37Å; L406-A635 WeakPolarHBondContact O-CA 3.42Å; L406-L636 HydrophobicContact CB-CB 4.3Å; L406-L636 HydrophobicContact CD2-CD2 4.48Å; L406-L636 PolarHBondContact N-O 3.18Å; L406-L636 PolarHBondContact O-N 2.86Å
407V96.9Very high93.7Very high2 Ų235.6 Ų35.61%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-106.7108.7169.7-177.70000108.9I152 G380 L381 H382 C383 I624 F625 R632 A635I152-V407 HydrophobicContact CD1-CG2 4.27Å; G380-V407 PolarHBondContact O-N 2.83Å; L381-V407 HydrophobicContact CD1-CB 4.02Å; L381-V407 HydrophobicContact CD1-CG1 4.26Å; L381-V407 HydrophobicContact CD1-CG2 4.06Å; H382-V407 CarbonylContact C-O 3.47Å; H382-V407 WeakPolarHBondContact CA-O 3.42Å; H382-V407 PolarHBondContact N-O 2.94Å; C383-V407 PolarHBondContact N-O 3Å; V407-I624 HydrophobicContact CG2-CD1 3.71Å; V407-F625 HydrophobicContact CG1-CE2 4.39Å; V407-R632 WeakPolarHBondContact CG1-O 3.46Å; V407-A635 HydrophobicContact CG2-CB 3.78Å
408G95.3Very high93.6Very high6 Ų634 Ų346%0.06217%0.172CC..EExtended strand (participates in β ladder)trans-81.4154.1172.200000111.8
409C93Very high93.6Very high12 Ų1234 Ų348%0.08117%0.171CC..  trans-137.2-68.2175.664.60000114.9H382 C384 Y411 C450 R632H382-C409 VanDerWaalsContact C-SG 3.56Å; H382-C409 HydrophobicContact CB-CB 4.34Å; H382-C409 PolarHBondContact O-SG 3.47Å; C384-C409 PolarHBondContact SG-SG 3.34Å; C409-Y411 PolarHBondContact O-N 3.43Å; C409-Y411 VanDerWaalsContact O-N 3.08Å; C409-C450 WeakPolarHBondContact O-CB 3.38Å; C409-R632 HydrophobicContact CB-CB 4.1Å; C409-R632 HydrophobicContact CB-CG 3.79Å
410C94.3Very high93.9Very high31 Ų3129.8 Ų29.821%0.20915%0.148CC..  trans-87.576.6-169.3-60.10000112.3C384 G385 H412 K413C384-C410 HydrophobicContact CB-CB 4.01Å; G385-C410 PolarHBondContact N-O 3.04Å; C410-H412 PolarHBondContact O-N 2.96Å; C410-K413 HydrophobicContact CB-CB 4.26Å; C410-K413 HydrophobicContact CB-CD 3.99Å; C410-K413 HydrophobicContact CB-CG 3.94Å; C410-K413 WeakPolarHBondContact O-CB 3.36Å; C410-K413 PolarHBondContact O-N 3.37Å
411Y95Very high93.9Very high3 Ų329.8 Ų29.81%0.01215%0.148CC..G310 helixtrans-60.7-31.9-178.6-53.2-38.4000113C409 K413 M414 L446 A449 C450 E589 V592C409-Y411 PolarHBondContact O-N 3.43Å; C409-Y411 VanDerWaalsContact O-N 3.08Å; Y411-K413 PolarHBondContact O-N 3.27Å; Y411-K413 VanDerWaalsContact O-N 3.1Å; Y411-M414 HydrophobicContact CD1-SD 4.47Å; Y411-M414 HydrophobicContact CG-CE 4.45Å; Y411-M414 VanDerWaalsContact O-CB 3.24Å; Y411-M414 WeakPolarHBondContact O-CB 3.31Å; Y411-M414 VanDerWaalsContact O-CG 3.3Å; Y411-M414 WeakPolarHBondContact O-CG 3.46Å; Y411-M414 PolarHBondContact O-N 2.94Å; Y411-L446 WeakPolarHBondContact CB-O 3.47Å; Y411-A449 HydrophobicContact CD2-CB 3.8Å; Y411-A449 HydrophobicContact CE2-CB 4.46Å; Y411-C450 HydrophobicContact CD2-CB 3.6Å; Y411-C450 HydrophobicContact CE2-CB 4.18Å; Y411-C450 HydrophobicContact CG-CB 4Å; Y411-E589 HydrophobicContact CE2-CG 4.09Å; Y411-E589 PolarHBondContact OH-OE1 3.19Å; Y411-V592 HydrophobicContact CD1-CG1 3.84Å; Y411-V592 HydrophobicContact CD2-CB 4.45Å; Y411-V592 HydrophobicContact CD2-CG1 4.22Å; Y411-V592 HydrophobicContact CD2-CG2 4.33Å; Y411-V592 HydrophobicContact CE1-CG1 3.83Å; Y411-V592 HydrophobicContact CE2-CB 4.41Å; Y411-V592 HydrophobicContact CE2-CG1 4.23Å; Y411-V592 HydrophobicContact CG-CG1 4.06Å
412H93.4Very high93.9Very high60 Ų6029.8 Ų29.828%0.27815%0.148SC..G310 helixtrans-64.4-11.9174.368.4-87.8000114.9C410 L446 R447 C450C410-H412 PolarHBondContact O-N 2.96Å; H412-L446 HydrophobicContact CB-CB 4.42Å; H412-R447 HydrophobicContact CB-CB 3.88Å; H412-C450 PolarHBondContact ND1-SG 2.99Å
413K93.9Very high94Very high133 Ų13333.8 Ų33.858%0.57817%0.169SC*.G310 helixtrans-90.1-2.6171.6-65.2-168.6176.6-170.80112.7C384 C410 Y411C384-K413 HydrophobicContact CB-CD 4.28Å; C410-K413 HydrophobicContact CB-CB 4.26Å; C410-K413 HydrophobicContact CB-CD 3.99Å; C410-K413 HydrophobicContact CB-CG 3.94Å; C410-K413 WeakPolarHBondContact O-CB 3.36Å; C410-K413 PolarHBondContact O-N 3.37Å; Y411-K413 PolarHBondContact O-N 3.27Å; Y411-K413 VanDerWaalsContact O-N 3.1Å
414M93Very high93.9Very high18 Ų1835.9 Ų35.99%0.08918%0.177CC..SBendtrans-68.9143.4170.9-63.3-176.1-5000109.2D386 Y411 V416 F419 L446 V592 R596D386-M414 VanDerWaalsContact OD1-CA 3.25Å; D386-M414 WeakPolarHBondContact OD1-CA 3.47Å; Y411-M414 HydrophobicContact CD1-SD 4.47Å; Y411-M414 HydrophobicContact CG-CE 4.45Å; Y411-M414 VanDerWaalsContact O-CB 3.24Å; Y411-M414 WeakPolarHBondContact O-CB 3.31Å; Y411-M414 VanDerWaalsContact O-CG 3.3Å; Y411-M414 WeakPolarHBondContact O-CG 3.46Å; Y411-M414 PolarHBondContact O-N 2.94Å; M414-V416 PolarHBondContact O-N 3.36Å; M414-V416 VanDerWaalsContact O-N 3.17Å; M414-F419 HydrophobicContact CE-CB 4.47Å; M414-F419 HydrophobicContact CE-CD2 4.1Å; M414-F419 HydrophobicContact CE-CG 4.42Å; M414-L446 HydrophobicContact CE-CD1 3.94Å; M414-L446 HydrophobicContact CE-CD2 3.68Å; M414-L446 HydrophobicContact CE-CG 4.38Å; M414-V592 HydrophobicContact CE-CG1 4.45Å; M414-R596 PolarHBondContact SD-NH2 3.11Å; M414-R596 VanDerWaalsContact SD-NH2 3.38Å
415T93Very high93.9Very high56 Ų5636 Ų3634%0.34418%0.178SC..  trans-67.1113.7167.5-52.70000107.9D386 K417 K418D386-T415 PolarHBondContact OD1-N 3.42Å; D386-T415 PolarHBondContact OD2-OG1 3.2Å; T415-K417 HydrophobicContact CG2-CD 4.18Å; T415-K417 HydrophobicContact CG2-CG 3.78Å; T415-K417 PolarHBondContact O-N 2.96Å; T415-K418 WeakPolarHBondContact O-CB 3.4Å; T415-K418 PolarHBondContact O-N 3.46Å
416V89Confident93.8Very high45 Ų4539 Ų3927%0.27319%0.189SC..G310 helixtrans-49.7-41-172.7175.10000113M414 K418 F419 I441 P443 L446M414-V416 PolarHBondContact O-N 3.36Å; M414-V416 VanDerWaalsContact O-N 3.17Å; V416-K418 PolarHBondContact O-N 3.37Å; V416-K418 VanDerWaalsContact O-N 3.08Å; V416-F419 PolarHBondContact O-N 2.99Å; V416-I441 HydrophobicContact CG1-CG2 4.06Å; V416-I441 WeakPolarHBondContact CG1-O 3.26Å; V416-P443 HydrophobicContact CG2-CG 4.21Å; V416-L446 HydrophobicContact CG2-CD1 4.33Å
417K88.2Confident93.7Very high171 Ų17144.9 Ų44.974%0.74322%0.215SC*.G310 helixtrans-61.9-17.3179.175.5-171.9176.7175.90115T415T415-K417 HydrophobicContact CG2-CD 4.18Å; T415-K417 HydrophobicContact CG2-CG 3.78Å; T415-K417 PolarHBondContact O-N 2.96Å
418K89.7Confident93.6Very high57 Ų5745.8 Ų45.825%0.24822%0.22CC..G310 helixtrans-88.2-7.4177.1-64.4-174.9176.5177.20113D386 T415 V416 P420 T421D386-K418 WeakPolarHBondContact OD2-CD 3.42Å; D386-K418 WeakPolarHBondContact OD2-CE 3.34Å; D386-K418 IonicContact OD2-NZ 2.91Å; D386-K418 PolarHBondContact OD2-NZ 3.2Å; T415-K418 WeakPolarHBondContact O-CB 3.4Å; T415-K418 PolarHBondContact O-N 3.46Å; V416-K418 PolarHBondContact O-N 3.37Å; V416-K418 VanDerWaalsContact O-N 3.08Å; K418-P420 CarbonylContact O-C 3.57Å; K418-P420 VanDerWaalsContact O-O 3.09Å; K418-T421 PolarHBondContact O-N 2.98Å; K418-T421 PolarHBondContact O-OG1 3.26Å
419F94.3Very high93.7Very high6 Ų645.6 Ų45.63%0.02622%0.218CC..  trans-109.2139.1176.4-174.4-91.3000111.4M414 V416 M429 I441 L446 I591 V592 D595M414-F419 HydrophobicContact CE-CB 4.47Å; M414-F419 HydrophobicContact CE-CD2 4.1Å; M414-F419 HydrophobicContact CE-CG 4.42Å; V416-F419 PolarHBondContact O-N 2.99Å; F419-M429 HydrophobicContact CE1-CE 4.27Å; F419-I441 HydrophobicContact CD1-CD1 4.16Å; F419-I441 HydrophobicContact CD1-CG1 4.15Å; F419-I441 HydrophobicContact CD1-CG2 3.63Å; F419-I441 HydrophobicContact CE1-CD1 3.8Å; F419-I441 HydrophobicContact CE1-CG1 4.25Å; F419-I441 HydrophobicContact CE1-CG2 4.35Å; F419-L446 HydrophobicContact CD1-CD2 4.43Å; F419-I591 HydrophobicContact CZ-CG2 4.2Å; F419-V592 HydrophobicContact CE2-CB 4.31Å; F419-V592 HydrophobicContact CE2-CG1 4.42Å; F419-V592 HydrophobicContact CE2-CG2 3.9Å; F419-V592 HydrophobicContact CZ-CG2 3.98Å; F419-D595 WeakPolarHBondContact CD2-OD2 3.39Å; F419-D595 HydrophobicContact CE2-CB 3.84Å; F419-D595 WeakPolarHBondContact CE2-OD2 3.47Å; F419-D595 HydrophobicContact CZ-CB 4.4Å
420P95.9Very high93.9Very high0 Ų048.7 Ų48.70%023%0.23CC..SBendcis-61.1157.2-13.229.9-37.1000110.9K418 L425 R426 M429 D595K418-P420 CarbonylContact O-C 3.57Å; K418-P420 VanDerWaalsContact O-O 3.09Å; P420-L425 HydrophobicContact CB-CB 4Å; P420-L425 HydrophobicContact CB-CD2 3.77Å; P420-L425 HydrophobicContact CB-CG 3.9Å; P420-L425 HydrophobicContact CG-CB 4.44Å; P420-L425 HydrophobicContact CG-CG 4.3Å; P420-R426 HydrophobicContact CG-CB 3.88Å; P420-R426 HydrophobicContact CG-CG 4.42Å; P420-R426 PolarHBondContact O-NH1 3.07Å; P420-R426 VanDerWaalsContact O-NH1 3.14Å; P420-R426 PolarHBondContact O-NH2 3.01Å; P420-M429 HydrophobicContact CB-SD 4.43Å; P420-M429 HydrophobicContact CG-SD 3.67Å; P420-D595 WeakPolarHBondContact CB-OD1 3.35Å
421T93.6Very high94Very high18 Ų1853.5 Ų53.511%0.1125%0.254CS..  trans-91.7-35.7176.6-51.50000111.2Q389 K418 D595 Y599Q389-T421 HydrophobicContact CG-CG2 4.25Å; K418-T421 PolarHBondContact O-N 2.98Å; K418-T421 PolarHBondContact O-OG1 3.26Å; T421-D595 VanDerWaalsContact N-CG 3.28Å; T421-D595 PolarHBondContact N-OD1 3.47Å; T421-D595 PolarHBondContact N-OD2 3.4Å; T421-Y599 HydrophobicContact CG2-CD1 3.7Å; T421-Y599 HydrophobicContact CG2-CD2 3.76Å; T421-Y599 HydrophobicContact CG2-CE1 3.82Å; T421-Y599 HydrophobicContact CG2-CE2 3.87Å; T421-Y599 HydrophobicContact CG2-CG 3.67Å
422S95Very high94Very high0 Ų054.3 Ų54.30%026%0.259CS..SBendtrans-68.9142177.463.80000112.8Y424 L425 R426 D595 E602S422-Y424 VanDerWaalsContact C-N 3.35Å; S422-L425 WeakPolarHBondContact OG-CB 3.5Å; S422-L425 PolarHBondContact OG-N 3.33Å; S422-R426 VanDerWaalsContact O-CB 3.26Å; S422-R426 WeakPolarHBondContact O-CB 3.42Å; S422-R426 PolarHBondContact O-N 3.24Å; S422-R426 VanDerWaalsContact O-N 3.09Å; S422-D595 WeakPolarHBondContact CB-OD1 3.32Å; S422-D595 PolarHBondContact N-OD1 3.48Å; S422-D595 PolarHBondContact OG-OD1 2.95Å; S422-E602 WeakPolarHBondContact CA-OE2 3.32Å; S422-E602 WeakPolarHBondContact CB-OE1 3.43Å
423D93.8Very high94.2Very high87 Ų8753.5 Ų53.547%0.46526%0.257SS..Hα-helixtrans-70-35.7176.5-81.2-19.4000111.2K427 E602D423-K427 VanDerWaalsContact O-CB 3.32Å; D423-K427 WeakPolarHBondContact O-CB 3.41Å; D423-K427 WeakPolarHBondContact O-CG 3.44Å; D423-K427 PolarHBondContact O-N 3Å; D423-E602 PolarHBondContact N-OE2 3.21Å
424Y93.7Very high94.3Very high43 Ų4354 Ų5417%0.16927%0.265CS..Hα-helixtrans-59.2-55.3176175-100.6000111.1N7 I10 S422 R426 K427 T428 F594 W598 E602N7-Y424 VanDerWaalsContact OD1-CE2 3.25Å; N7-Y424 WeakPolarHBondContact OD1-CE2 3.47Å; N7-Y424 PolarHBondContact OD1-OH 3.44Å; I10-Y424 HydrophobicContact CG1-CE1 4.09Å; I10-Y424 HydrophobicContact CG2-CE1 4.33Å; S422-Y424 VanDerWaalsContact C-N 3.35Å; Y424-R426 VanDerWaalsContact C-N 3.33Å; Y424-R426 PolarHBondContact O-N 3.02Å; Y424-K427 PolarHBondContact O-N 3.23Å; Y424-T428 PolarHBondContact O-N 2.98Å; Y424-T428 PolarHBondContact O-OG1 3.49Å; Y424-F594 AromaticContact CD1-CE1 3.96Å; Y424-F594 HydrophobicContact CD1-CE1 3.96Å; Y424-F594 HydrophobicContact CD1-CZ 4.1Å; Y424-F594 AromaticContact CE1-CE1 3.96Å; Y424-F594 HydrophobicContact CE1-CE1 3.96Å; Y424-F594 AromaticContact CE1-CZ 3.79Å; Y424-F594 HydrophobicContact CE1-CZ 3.79Å; Y424-W598 AromaticContact CD1-CD1 3.64Å; Y424-W598 HydrophobicContact CD1-CG 4.37Å; Y424-W598 AromaticContact CD1-NE1 3.8Å; Y424-W598 AromaticContact CG-CD1 3.77Å; Y424-W598 AromaticContact CG-NE1 3.99Å; Y424-E602 WeakPolarHBondContact CA-OE1 3.44Å; Y424-E602 WeakPolarHBondContact CB-OE1 3.49Å; Y424-E602 PolarHBondContact N-OE1 3.15Å
425L95.4Very high94.4Very high2 Ų257.1 Ų57.11%0.0128%0.282CS..Hα-helixtrans-66.9-38.4-177.5-172.458.8000111I10 L14 P420 S422 T428 M429 I591 D595I10-L425 HydrophobicContact CG2-CD1 4.29Å; L14-L425 HydrophobicContact CD1-CD1 4.27Å; L14-L425 HydrophobicContact CD2-CD1 4.34Å; P420-L425 HydrophobicContact CB-CB 4Å; P420-L425 HydrophobicContact CB-CD2 3.77Å; P420-L425 HydrophobicContact CB-CG 3.9Å; P420-L425 HydrophobicContact CG-CB 4.44Å; P420-L425 HydrophobicContact CG-CG 4.3Å; S422-L425 WeakPolarHBondContact OG-CB 3.5Å; S422-L425 PolarHBondContact OG-N 3.33Å; L425-T428 PolarHBondContact O-N 3.2Å; L425-M429 HydrophobicContact CD1-CE 4.02Å; L425-M429 HydrophobicContact CD1-CG 4.36Å; L425-M429 HydrophobicContact CD2-CE 3.93Å; L425-M429 HydrophobicContact CG-CE 3.8Å; L425-M429 HydrophobicContact CG-CG 4.4Å; L425-M429 HydrophobicContact CG-SD 4.29Å; L425-M429 WeakPolarHBondContact O-CB 3.49Å; L425-M429 VanDerWaalsContact O-CG 3.27Å; L425-M429 WeakPolarHBondContact O-CG 2.81Å; L425-M429 PolarHBondContact O-N 3.47Å; L425-I591 HydrophobicContact CD2-CG2 4Å; L425-D595 HydrophobicContact CD2-CB 3.68Å
426R96Very high94.6Very high65 Ų6554.4 Ų54.425%0.24527%0.266CS..Hα-helixtrans-57.8-50.4175.1-170.5-173-52-67.8-1.9112P420 S422 Y424 M429 F430P420-R426 HydrophobicContact CG-CB 3.88Å; P420-R426 HydrophobicContact CG-CG 4.42Å; P420-R426 PolarHBondContact O-NH1 3.07Å; P420-R426 VanDerWaalsContact O-NH1 3.14Å; P420-R426 PolarHBondContact O-NH2 3.01Å; S422-R426 VanDerWaalsContact O-CB 3.26Å; S422-R426 WeakPolarHBondContact O-CB 3.42Å; S422-R426 PolarHBondContact O-N 3.24Å; S422-R426 VanDerWaalsContact O-N 3.09Å; Y424-R426 VanDerWaalsContact C-N 3.33Å; Y424-R426 PolarHBondContact O-N 3.02Å; R426-M429 PolarHBondContact O-N 3.38Å; R426-F430 HydrophobicContact CG-CD2 4.04Å; R426-F430 HydrophobicContact CG-CE2 3.6Å; R426-F430 HydrophobicContact CG-CZ 4.32Å; R426-F430 WeakPolarHBondContact O-CD2 3.49Å; R426-F430 PolarHBondContact O-N 2.94Å; R426-F430 VanDerWaalsContact O-N 3.12Å
427K95.6Very high94.9Very high128 Ų12853.6 Ų53.656%0.55726%0.26SS*.Hα-helixtrans-62.4-46179.2-74.1169.2-175.6169.40111D423 Y424 M429 F430 N431D423-K427 VanDerWaalsContact O-CB 3.32Å; D423-K427 WeakPolarHBondContact O-CB 3.41Å; D423-K427 WeakPolarHBondContact O-CG 3.44Å; D423-K427 PolarHBondContact O-N 3Å; Y424-K427 PolarHBondContact O-N 3.23Å; K427-M429 PolarHBondContact O-N 2.95Å; K427-F430 PolarHBondContact O-N 3.49Å; K427-N431 WeakPolarHBondContact O-CB 3.29Å; K427-N431 PolarHBondContact O-N 2.89Å; K427-N431 PolarHBondContact O-ND2 3.15Å; K427-N431 PolarHBondContact O-OD1 2.9Å
428T95.2Very high95.1Very high20 Ų2052.8 Ų52.812%0.12326%0.258CS..Hα-helixtrans-66.5-37.2-178.7-47.70000112I10 L14 Y424 L425 N431 C432I10-T428 HydrophobicContact CG2-CG2 3.73Å; L14-T428 HydrophobicContact CD1-CG2 3.81Å; Y424-T428 PolarHBondContact O-N 2.98Å; Y424-T428 PolarHBondContact O-OG1 3.49Å; L425-T428 PolarHBondContact O-N 3.2Å; T428-N431 PolarHBondContact O-N 3.26Å; T428-C432 PolarHBondContact O-N 3.46Å; T428-C432 VanDerWaalsContact O-N 3.1Å; T428-C432 PolarHBondContact O-SG 3.18Å
429M96.9Very high95.3Very high2 Ų254.4 Ų54.41%0.0127%0.265CS..Hα-helixtrans-58.9-48.3171.5-77.9-177.1174.500111.9L14 F419 P420 L425 R426 K427 N431 C432 N433 F436 I437 I441 I591L14-M429 HydrophobicContact CD1-CG 3.94Å; L14-M429 HydrophobicContact CD2-CE 3.93Å; L14-M429 HydrophobicContact CD2-CG 3.89Å; F419-M429 HydrophobicContact CE1-CE 4.27Å; P420-M429 HydrophobicContact CB-SD 4.43Å; P420-M429 HydrophobicContact CG-SD 3.67Å; L425-M429 HydrophobicContact CD1-CE 4.02Å; L425-M429 HydrophobicContact CD1-CG 4.36Å; L425-M429 HydrophobicContact CD2-CE 3.93Å; L425-M429 HydrophobicContact CG-CE 3.8Å; L425-M429 HydrophobicContact CG-CG 4.4Å; L425-M429 HydrophobicContact CG-SD 4.29Å; L425-M429 WeakPolarHBondContact O-CB 3.49Å; L425-M429 VanDerWaalsContact O-CG 3.27Å; L425-M429 WeakPolarHBondContact O-CG 2.81Å; L425-M429 PolarHBondContact O-N 3.47Å; R426-M429 PolarHBondContact O-N 3.38Å; K427-M429 PolarHBondContact O-N 2.95Å; M429-N431 VanDerWaalsContact C-N 3.34Å; M429-N431 PolarHBondContact O-N 3Å; M429-C432 PolarHBondContact O-N 3.21Å; M429-N433 PolarHBondContact O-N 2.84Å; M429-F436 HydrophobicContact CB-CB 4.14Å; M429-F436 HydrophobicContact CB-CD1 3.78Å; M429-F436 HydrophobicContact CB-CE1 4.4Å; M429-F436 HydrophobicContact CB-CG 3.93Å; M429-F436 HydrophobicContact CE-CD1 4.37Å; M429-F436 HydrophobicContact CE-CE1 3.85Å; M429-F436 HydrophobicContact CG-CD1 3.6Å; M429-F436 HydrophobicContact CG-CE1 3.75Å; M429-F436 HydrophobicContact CG-CG 4.18Å; M429-F436 HydrophobicContact CG-CZ 4.4Å; M429-F436 WeakPolarHBondContact O-CB 3.11Å; M429-F436 HydrophobicContact SD-CD1 3.74Å; M429-F436 HydrophobicContact SD-CE1 3.85Å; M429-I437 HydrophobicContact SD-CG1 4.35Å; M429-I441 HydrophobicContact CE-CD1 4.35Å; M429-I591 HydrophobicContact CE-CG2 4.44Å
430F96.6Very high95.4Very high77 Ų7754.1 Ų54.134%0.33826%0.264SS..Hα-helixtrans-67.4-32.7178.6-68.5-36.8000113.8R426 K427 C432 N433 L434 I437R426-F430 HydrophobicContact CG-CD2 4.04Å; R426-F430 HydrophobicContact CG-CE2 3.6Å; R426-F430 HydrophobicContact CG-CZ 4.32Å; R426-F430 WeakPolarHBondContact O-CD2 3.49Å; R426-F430 PolarHBondContact O-N 2.94Å; R426-F430 VanDerWaalsContact O-N 3.12Å; K427-F430 PolarHBondContact O-N 3.49Å; F430-C432 VanDerWaalsContact C-N 3.29Å; F430-C432 PolarHBondContact O-N 2.83Å; F430-N433 WeakPolarHBondContact CA-O 3.42Å; F430-N433 CarbonylContact O-C 3.21Å; F430-N433 PolarHBondContact O-N 3.27Å; F430-L434 WeakPolarHBondContact CD1-O 3.41Å; F430-L434 PolarHBondContact O-N 3.44Å; F430-I437 HydrophobicContact CE1-CD1 3.69Å; F430-I437 HydrophobicContact CE1-CG1 4.02Å; F430-I437 HydrophobicContact CZ-CD1 3.59Å; F430-I437 HydrophobicContact CZ-CG1 4.43Å
431N96Very high95.4Very high133 Ų13354.8 Ų54.871%0.71127%0.268SS*.Hα-helixtrans-66.3-31.8174-69.6-13.2000112.2K427 T428 M429K427-N431 WeakPolarHBondContact O-CB 3.29Å; K427-N431 PolarHBondContact O-N 2.89Å; K427-N431 PolarHBondContact O-ND2 3.15Å; K427-N431 PolarHBondContact O-OD1 2.9Å; T428-N431 PolarHBondContact O-N 3.26Å; M429-N431 VanDerWaalsContact C-N 3.34Å; M429-N431 PolarHBondContact O-N 3Å
432C95.8Very high95.4Very high19 Ų1954.9 Ų54.913%0.12827%0.269CS..Hα-helixtrans-74.9-43.8173.9-61.40000111.5H11 L14 M15 T428 M429 F430 F436H11-C432 PolarHBondContact ND1-SG 3.08Å; H11-C432 VanDerWaalsContact ND1-SG 3.42Å; L14-C432 HydrophobicContact CB-CB 4.43Å; M15-C432 HydrophobicContact SD-CB 4Å; T428-C432 PolarHBondContact O-N 3.46Å; T428-C432 VanDerWaalsContact O-N 3.1Å; T428-C432 PolarHBondContact O-SG 3.18Å; M429-C432 PolarHBondContact O-N 3.21Å; F430-C432 VanDerWaalsContact C-N 3.29Å; F430-C432 PolarHBondContact O-N 2.83Å; C432-F436 HydrophobicContact CB-CD2 4.25Å
433N97.1Very high95.3Very high43 Ų4357.9 Ų57.923%0.2329%0.289CS..  trans-155.8130.3173.7-164-87.2000110.5L18 M429 F430 N435 F436 K439L18-N433 HydrophobicContact CD1-CB 4.44Å; L18-N433 HydrophobicContact CD2-CB 3.89Å; M429-N433 PolarHBondContact O-N 2.84Å; F430-N433 WeakPolarHBondContact CA-O 3.42Å; F430-N433 CarbonylContact O-C 3.21Å; F430-N433 PolarHBondContact O-N 3.27Å; N433-N435 PolarHBondContact O-N 3.39Å; N433-N435 VanDerWaalsContact O-N 3.07Å; N433-N435 PolarHBondContact OD1-N 3.11Å; N433-F436 HydrophobicContact CB-CB 4.1Å; N433-F436 HydrophobicContact CB-CD2 4.37Å; N433-F436 WeakPolarHBondContact O-CB 3.49Å; N433-F436 PolarHBondContact O-N 2.87Å; N433-K439 PolarHBondContact OD1-NZ 3.46Å
434L96.2Very high95.3Very high143 Ų14354.3 Ų54.375%0.74927%0.271SS*.THydrogen-bonded Turntrans-56.1-31.3178.5-68.8174.8000113F430F430-L434 WeakPolarHBondContact CD1-O 3.41Å; F430-L434 PolarHBondContact O-N 3.44Å
435N95.8Very high95.4Very high84 Ų8452.4 Ų52.445%0.44926%0.264SS..THydrogen-bonded Turntrans-10424.1178.9-58.6-10.9000112.1N433 I437 E438 K439N433-N435 PolarHBondContact O-N 3.39Å; N433-N435 VanDerWaalsContact O-N 3.07Å; N433-N435 PolarHBondContact OD1-N 3.11Å; N435-I437 VanDerWaalsContact C-N 3.34Å; N435-I437 PolarHBondContact O-N 2.78Å; N435-E438 PolarHBondContact O-N 2.85Å; N435-K439 HydrophobicContact CB-CD 4.49Å; N435-K439 WeakPolarHBondContact O-CB 3.49Å; N435-K439 WeakPolarHBondContact O-CG 3.21Å; N435-K439 PolarHBondContact O-N 3.03Å
436F96.6Very high95.5Very high0 Ų052.4 Ų52.40%026%0.264CS..Hα-helixtrans-54.3-48.8-176-171.1-78.6000112.3L14 I17 L18 M429 C432 N433 E438 K439 C440L14-F436 HydrophobicContact CB-CE2 3.93Å; L14-F436 HydrophobicContact CB-CZ 4.13Å; L14-F436 HydrophobicContact CD2-CE1 4.06Å; L14-F436 HydrophobicContact CD2-CE2 4.21Å; L14-F436 HydrophobicContact CD2-CZ 3.58Å; L14-F436 HydrophobicContact CG-CZ 4.41Å; L14-F436 WeakPolarHBondContact O-CE2 3.37Å; I17-F436 HydrophobicContact CB-CZ 4.3Å; I17-F436 HydrophobicContact CG2-CE1 4.42Å; I17-F436 HydrophobicContact CG2-CZ 3.8Å; L18-F436 HydrophobicContact CB-CD2 4.39Å; L18-F436 HydrophobicContact CB-CE2 3.91Å; L18-F436 HydrophobicContact CD1-CD2 4.29Å; M429-F436 HydrophobicContact CB-CB 4.14Å; M429-F436 HydrophobicContact CB-CD1 3.78Å; M429-F436 HydrophobicContact CB-CE1 4.4Å; M429-F436 HydrophobicContact CB-CG 3.93Å; M429-F436 HydrophobicContact CE-CD1 4.37Å; M429-F436 HydrophobicContact CE-CE1 3.85Å; M429-F436 HydrophobicContact CG-CD1 3.6Å; M429-F436 HydrophobicContact CG-CE1 3.75Å; M429-F436 HydrophobicContact CG-CG 4.18Å; M429-F436 HydrophobicContact CG-CZ 4.4Å; M429-F436 WeakPolarHBondContact O-CB 3.11Å; M429-F436 HydrophobicContact SD-CD1 3.74Å; M429-F436 HydrophobicContact SD-CE1 3.85Å; C432-F436 HydrophobicContact CB-CD2 4.25Å; N433-F436 HydrophobicContact CB-CB 4.1Å; N433-F436 HydrophobicContact CB-CD2 4.37Å; N433-F436 WeakPolarHBondContact O-CB 3.49Å; N433-F436 PolarHBondContact O-N 2.87Å; F436-E438 PolarHBondContact O-N 3.44Å; F436-K439 PolarHBondContact O-N 2.97Å; F436-C440 HydrophobicContact CD1-CB 4.09Å; F436-C440 HydrophobicContact CE1-CB 3.73Å; F436-C440 HydrophobicContact CZ-CB 4.14Å; F436-C440 WeakPolarHBondContact O-CB 3.33Å; F436-C440 PolarHBondContact O-N 2.78Å
437I94.7Very high95.4Very high27 Ų2755.4 Ų55.414%0.13828%0.275CS..Hα-helixtrans-61.5-47.2-177-62177.3000110.2M429 F430 N435 K439 I441M429-I437 HydrophobicContact SD-CG1 4.35Å; F430-I437 HydrophobicContact CE1-CD1 3.69Å; F430-I437 HydrophobicContact CE1-CG1 4.02Å; F430-I437 HydrophobicContact CZ-CD1 3.59Å; F430-I437 HydrophobicContact CZ-CG1 4.43Å; N435-I437 VanDerWaalsContact C-N 3.34Å; N435-I437 PolarHBondContact O-N 2.78Å; I437-K439 VanDerWaalsContact C-N 3.31Å; I437-K439 PolarHBondContact O-N 2.65Å; I437-I441 HydrophobicContact CG2-CB 4.1Å; I437-I441 HydrophobicContact CG2-CG1 4.35Å; I437-I441 WeakPolarHBondContact O-CA 3.12Å; I437-I441 WeakPolarHBondContact O-CB 3.47Å; I437-I441 PolarHBondContact O-N 3.09Å
438E93.8Very high95.5Very high154 Ų15449.4 Ų49.472%0.7225%0.249SC*.Hα-helixtrans-60.3-40.8177.7-174.7-174.3176.800112.2N435 F436N435-E438 PolarHBondContact O-N 2.85Å; F436-E438 PolarHBondContact O-N 3.44Å
439K94.2Very high95.5Very high91 Ų9148.5 Ų48.540%0.39624%0.244SC..Hα-helixtrans-77.8-34.7-177.2-73.1178.4176.5175.30114.4L18 N25 N433 N435 F436 I437L18-K439 HydrophobicContact CD1-CB 4.45Å; L18-K439 HydrophobicContact CD1-CD 4.21Å; N25-K439 PolarHBondContact ND2-O 3.35Å; N433-K439 PolarHBondContact OD1-NZ 3.46Å; N435-K439 HydrophobicContact CB-CD 4.49Å; N435-K439 WeakPolarHBondContact O-CB 3.49Å; N435-K439 WeakPolarHBondContact O-CG 3.21Å; N435-K439 PolarHBondContact O-N 3.03Å; F436-K439 PolarHBondContact O-N 2.97Å; I437-K439 VanDerWaalsContact C-N 3.31Å; I437-K439 PolarHBondContact O-N 2.65Å
440C96Very high95.3Very high0 Ų049.3 Ų49.30%025%0.249CC..Hα-helixtrans-114-26.7-167.7-54.90000113I17 L18 Y24 F436 T445I17-C440 HydrophobicContact CG2-CB 4.36Å; L18-C440 VanDerWaalsContact CD1-SG 3.56Å; Y24-C440 WeakPolarHBondContact CE2-O 3.44Å; F436-C440 HydrophobicContact CD1-CB 4.09Å; F436-C440 HydrophobicContact CE1-CB 3.73Å; F436-C440 HydrophobicContact CZ-CB 4.14Å; F436-C440 WeakPolarHBondContact O-CB 3.33Å; F436-C440 PolarHBondContact O-N 2.78Å; C440-T445 WeakPolarHBondContact O-CB 3.22Å; C440-T445 WeakPolarHBondContact O-CG2 3.49Å; C440-T445 PolarHBondContact O-OG1 3.22Å
441I95.4Very high95.1Very high14 Ų1448.2 Ų48.27%0.07225%0.246CC..  trans-106.5102.4-174.2-50.6-53.5000109.5V416 F419 M429 I437 L446V416-I441 HydrophobicContact CG1-CG2 4.06Å; V416-I441 WeakPolarHBondContact CG1-O 3.26Å; F419-I441 HydrophobicContact CD1-CD1 4.16Å; F419-I441 HydrophobicContact CD1-CG1 4.15Å; F419-I441 HydrophobicContact CD1-CG2 3.63Å; F419-I441 HydrophobicContact CE1-CD1 3.8Å; F419-I441 HydrophobicContact CE1-CG1 4.25Å; F419-I441 HydrophobicContact CE1-CG2 4.35Å; M429-I441 HydrophobicContact CE-CD1 4.35Å; I437-I441 HydrophobicContact CG2-CB 4.1Å; I437-I441 HydrophobicContact CG2-CG1 4.35Å; I437-I441 WeakPolarHBondContact O-CA 3.12Å; I437-I441 WeakPolarHBondContact O-CB 3.47Å; I437-I441 PolarHBondContact O-N 3.09Å; I441-L446 HydrophobicContact CG2-CD1 4.44Å; I441-L446 HydrophobicContact CG2-CD2 4.49Å; I441-L446 HydrophobicContact CG2-CG 4.39Å
442S93.5Very high94.6Very high21 Ų2146.7 Ų46.715%0.14723%0.234CC..SBendtrans-128.6173.2173.783.90000111.9N25 A444 T445 L446N25-S442 WeakPolarHBondContact OD1-CB 3.43Å; N25-S442 PolarHBondContact OD1-OG 3.08Å; S442-A444 PolarHBondContact O-N 3.37Å; S442-A444 WeakPolarHBondContact OG-CB 3.41Å; S442-A444 PolarHBondContact OG-N 3.19Å; S442-T445 PolarHBondContact N-OG1 3.22Å; S442-T445 PolarHBondContact O-N 2.95Å; S442-T445 PolarHBondContact OG-N 2.97Å; S442-L446 WeakPolarHBondContact O-CG 3.2Å; S442-L446 PolarHBondContact O-N 3Å
443P93.5Very high94Very high63 Ų6346.5 Ų46.541%0.40923%0.233SC..Hα-helixtrans-55.5-29.4168.1-25.936.5000113.6V416 R447V416-P443 HydrophobicContact CG2-CG 4.21Å; P443-R447 WeakPolarHBondContact O-CB 3.47Å; P443-R447 PolarHBondContact O-N 3.14Å
444A93.7Very high93.7Very high11 Ų1145.3 Ų45.39%0.09123%0.227CC..Hα-helixtrans-71.1-47.2176.100000111.2N25 Q27 S442 L446 R447 L448N25-A444 WeakPolarHBondContact O-CB 3.16Å; Q27-A444 HydrophobicContact CG-CB 4.18Å; S442-A444 PolarHBondContact O-N 3.37Å; S442-A444 WeakPolarHBondContact OG-CB 3.41Å; S442-A444 PolarHBondContact OG-N 3.19Å; A444-L446 PolarHBondContact O-N 2.64Å; A444-R447 CarbonylContact O-C 3.34Å; A444-R447 WeakPolarHBondContact O-CA 3.36Å; A444-R447 WeakPolarHBondContact O-CB 3.31Å; A444-R447 PolarHBondContact O-N 3.45Å; A444-R447 VanDerWaalsContact O-N 3.11Å; A444-L448 PolarHBondContact O-N 3.31Å
445T95.9Very high93.4Very high4 Ų442.2 Ų42.23%0.02521%0.211CC..Hα-helixtrans-56-51174.3-52.80000111.2Y24 N25 C440 S442 R447 L448 A449 L588Y24-T445 HydrophobicContact CD2-CG2 3.68Å; Y24-T445 HydrophobicContact CE2-CG2 3.72Å; N25-T445 PolarHBondContact OD1-OG1 2.96Å; C440-T445 WeakPolarHBondContact O-CB 3.22Å; C440-T445 WeakPolarHBondContact O-CG2 3.49Å; C440-T445 PolarHBondContact O-OG1 3.22Å; S442-T445 PolarHBondContact N-OG1 3.22Å; S442-T445 PolarHBondContact O-N 2.95Å; S442-T445 PolarHBondContact OG-N 2.97Å; T445-R447 VanDerWaalsContact C-N 3.27Å; T445-R447 PolarHBondContact O-N 3.29Å; T445-L448 PolarHBondContact O-N 3.12Å; T445-A449 PolarHBondContact O-N 3.37Å; T445-L588 HydrophobicContact CG2-CD1 4.09Å; T445-L588 HydrophobicContact CG2-CD2 3.92Å
446L96.5Very high93.1Very high2 Ų242.3 Ų42.31%0.0121%0.208CC..Hα-helixtrans-69-27.9179.6-65178.7000111.9Y411 H412 M414 V416 F419 I441 S442 A444 C450 V592Y411-L446 WeakPolarHBondContact CB-O 3.47Å; H412-L446 HydrophobicContact CB-CB 4.42Å; M414-L446 HydrophobicContact CE-CD1 3.94Å; M414-L446 HydrophobicContact CE-CD2 3.68Å; M414-L446 HydrophobicContact CE-CG 4.38Å; V416-L446 HydrophobicContact CG2-CD1 4.33Å; F419-L446 HydrophobicContact CD1-CD2 4.43Å; I441-L446 HydrophobicContact CG2-CD1 4.44Å; I441-L446 HydrophobicContact CG2-CD2 4.49Å; I441-L446 HydrophobicContact CG2-CG 4.39Å; S442-L446 WeakPolarHBondContact O-CG 3.2Å; S442-L446 PolarHBondContact O-N 3Å; A444-L446 PolarHBondContact O-N 2.64Å; L446-C450 PolarHBondContact O-N 2.85Å; L446-C450 PolarHBondContact O-SG 2.93Å; L446-V592 HydrophobicContact CD2-CG2 4.3Å
447R95.6Very high92.9Very high128 Ų12842.8 Ų42.848%0.48321%0.209SC..Hα-helixtrans-66.6-48.8171-176.4173-67.8162.71.9110.1H412 P443 A444 T445 A449 C450 Q451H412-R447 HydrophobicContact CB-CB 3.88Å; P443-R447 WeakPolarHBondContact O-CB 3.47Å; P443-R447 PolarHBondContact O-N 3.14Å; A444-R447 CarbonylContact O-C 3.34Å; A444-R447 WeakPolarHBondContact O-CA 3.36Å; A444-R447 WeakPolarHBondContact O-CB 3.31Å; A444-R447 PolarHBondContact O-N 3.45Å; A444-R447 VanDerWaalsContact O-N 3.11Å; T445-R447 VanDerWaalsContact C-N 3.27Å; T445-R447 PolarHBondContact O-N 3.29Å; R447-A449 PolarHBondContact O-N 3.5Å; R447-C450 CarbonylContact O-C 3.5Å; R447-C450 WeakPolarHBondContact O-CA 3.34Å; R447-C450 PolarHBondContact O-N 3.1Å; R447-C450 PolarHBondContact O-SG 3.49Å; R447-Q451 WeakPolarHBondContact O-CG 3.47Å; R447-Q451 PolarHBondContact O-N 2.93Å
448L96Very high92.9Very high1 Ų143 Ų431%0.00521%0.21CC..Hα-helixtrans-59.6-46.7177.6-174.858.7000111Y24 A444 T445 C450 Q451 Q581 F584 Q585 L588Y24-L448 VanDerWaalsContact CB-CD2 3.45Å; A444-L448 PolarHBondContact O-N 3.31Å; T445-L448 PolarHBondContact O-N 3.12Å; L448-C450 PolarHBondContact O-N 2.96Å; L448-Q451 HydrophobicContact CD1-CB 4.37Å; L448-Q451 HydrophobicContact CD1-CG 4.3Å; L448-Q451 WeakPolarHBondContact O-CB 3.34Å; L448-Q451 PolarHBondContact O-N 3.41Å; L448-Q581 HydrophobicContact CD1-CB 3.9Å; L448-Q581 HydrophobicContact CD2-CB 3.95Å; L448-Q581 HydrophobicContact CD2-CG 4Å; L448-F584 HydrophobicContact CD2-CB 4.07Å; L448-Q585 HydrophobicContact CD1-CB 4.15Å; L448-Q585 HydrophobicContact CD1-CG 4.44Å; L448-Q585 HydrophobicContact CG-CB 4.39Å; L448-Q585 WeakPolarHBondContact O-CG 3.35Å; L448-L588 HydrophobicContact CB-CD1 4.2Å; L448-L588 HydrophobicContact CD2-CD1 3.86Å; L448-L588 HydrophobicContact CG-CD1 4.12Å
449A95.8Very high92.8Very high1 Ų141 Ų411%0.00821%0.205CC..Hα-helixtrans-52.8-30.5173.900000113Y411 T445 R447 Q585 L588 E589 V592 R632Y411-A449 HydrophobicContact CD2-CB 3.8Å; Y411-A449 HydrophobicContact CE2-CB 4.46Å; T445-A449 PolarHBondContact O-N 3.37Å; R447-A449 PolarHBondContact O-N 3.5Å; A449-Q585 PolarHBondContact O-NE2 3.19Å; A449-L588 HydrophobicContact CB-CB 3.8Å; A449-E589 WeakPolarHBondContact O-CB 3.45Å; A449-V592 HydrophobicContact CB-CG2 4.31Å; A449-R632 PolarHBondContact O-NH2 3.3Å
450C93.6Very high92.8Very high19 Ų1939.8 Ų39.813%0.12820%0.198CC..THydrogen-bonded Turntrans-100.59.3176.972.70000116.4C409 Y411 H412 L446 R447 L448 R632C409-C450 WeakPolarHBondContact O-CB 3.38Å; Y411-C450 HydrophobicContact CD2-CB 3.6Å; Y411-C450 HydrophobicContact CE2-CB 4.18Å; Y411-C450 HydrophobicContact CG-CB 4Å; H412-C450 PolarHBondContact ND1-SG 2.99Å; L446-C450 PolarHBondContact O-N 2.85Å; L446-C450 PolarHBondContact O-SG 2.93Å; R447-C450 CarbonylContact O-C 3.5Å; R447-C450 WeakPolarHBondContact O-CA 3.34Å; R447-C450 PolarHBondContact O-N 3.1Å; R447-C450 PolarHBondContact O-SG 3.49Å; L448-C450 PolarHBondContact O-N 2.96Å; C450-R632 PolarHBondContact O-NE 3.3Å; C450-R632 PolarHBondContact O-NH2 3.24Å; C450-R632 VanDerWaalsContact O-NH2 3.08Å
451Q91.2Very high92.7Very high55 Ų5543.3 Ų43.326%0.25722%0.219SC..SBendtrans-74.1168.2176-77.7-176.728.300113.4R447 L448 Q585 R632R447-Q451 WeakPolarHBondContact O-CG 3.47Å; R447-Q451 PolarHBondContact O-N 2.93Å; L448-Q451 HydrophobicContact CD1-CB 4.37Å; L448-Q451 HydrophobicContact CD1-CG 4.3Å; L448-Q451 WeakPolarHBondContact O-CB 3.34Å; L448-Q451 PolarHBondContact O-N 3.41Å; Q451-Q585 HydrophobicContact CB-CG 4.23Å; Q451-Q585 PolarHBondContact O-NE2 3.36Å; Q451-R632 VanDerWaalsContact O-CZ 3.31Å; Q451-R632 PolarHBondContact O-NH2 2.99Å
452H85.1Confident92.5Very high101 Ų10145.7 Ų45.747%0.46823%0.23SC..PPolyproline II helixtrans-58146.4176.9-62.6166.4000111.4P631H452-P631 HydrophobicContact CB-CB 4.33Å; H452-P631 HydrophobicContact CB-CG 4.03Å
453S84.3Confident92.4Very high14 Ų1445.8 Ų45.810%0.09823%0.229CC..PPolyproline II helixtrans-59.6150.2176.363.90000110.5L455 K456 P627S453-L455 PolarHBondContact O-N 3.06Å; S453-K456 PolarHBondContact O-N 3.27Å; S453-P627 PolarHBondContact OG-O 3.09Å
454P90.6Very high92.4Very high18 Ų1845.4 Ų45.412%0.11722%0.224CC..Hα-helixtrans-51.5-30.8177.2-30.837.5000113.7V71 K456 W457 L458 Q582 P586V71-P454 HydrophobicContact CG1-CB 4.18Å; P454-K456 PolarHBondContact O-N 3.5Å; P454-K456 VanDerWaalsContact O-N 3.09Å; P454-W457 CarbonylContact O-C 3.52Å; P454-W457 WeakPolarHBondContact O-CA 3.3Å; P454-W457 WeakPolarHBondContact O-CB 2.91Å; P454-W457 PolarHBondContact O-N 2.93Å; P454-L458 HydrophobicContact CB-CD1 4.47Å; P454-L458 WeakPolarHBondContact O-CG 3.41Å; P454-L458 PolarHBondContact O-N 3.26Å; P454-Q582 HydrophobicContact CB-CB 4.25Å; P454-Q582 HydrophobicContact CG-CB 4.2Å; P454-Q582 WeakPolarHBondContact CG-O 3.49Å; P454-P586 HydrophobicContact CG-CG 4.36Å
455L89.9Confident92.5Very high78 Ų7845.3 Ų45.341%0.40822%0.222SC..Hα-helixtrans-51.1-36.1177.9-64.8172.9000114.1S453 L458 N459 P627 V628S453-L455 PolarHBondContact O-N 3.06Å; L455-L458 HydrophobicContact CD2-CD1 4.34Å; L455-N459 PolarHBondContact O-ND2 2.82Å; L455-P627 HydrophobicContact CD1-CB 3.96Å; L455-P627 HydrophobicContact CD1-CG 3.38Å; L455-V628 HydrophobicContact CB-CG2 3.94Å
456K88.8Confident92.4Very high87 Ų8745.5 Ų45.538%0.37822%0.223SC..Hα-helixtrans-72.9-37.2176.6-176.1166.9-178.4167.50112S453 P454 N459 W460S453-K456 PolarHBondContact O-N 3.27Å; P454-K456 PolarHBondContact O-N 3.5Å; P454-K456 VanDerWaalsContact O-N 3.09Å; K456-N459 PolarHBondContact O-N 3.3Å; K456-W460 PolarHBondContact O-NE1 3.08Å
457W93.3Very high92.4Very high9 Ų947.7 Ų47.73%0.03423%0.233CC..Hα-helixtrans-74.4-32.8177.8175.486.7000112.3L64 L67 Q68 V71 P454 N459 W460 L578 A579 Q582L64-W457 HydrophobicContact CD1-CZ2 4.05Å; L67-W457 HydrophobicContact CB-CH2 4.09Å; L67-W457 HydrophobicContact CB-CZ2 4.45Å; Q68-W457 HydrophobicContact CB-CZ3 4.31Å; Q68-W457 HydrophobicContact CG-CE3 4.28Å; Q68-W457 HydrophobicContact CG-CH2 3.84Å; Q68-W457 HydrophobicContact CG-CZ2 4.48Å; Q68-W457 HydrophobicContact CG-CZ3 3.73Å; Q68-W457 PolarHBondContact NE2-O 3.31Å; V71-W457 HydrophobicContact CB-CZ3 3.82Å; V71-W457 HydrophobicContact CG1-CZ3 4.19Å; V71-W457 HydrophobicContact CG2-CH2 3.92Å; V71-W457 HydrophobicContact CG2-CZ3 3.63Å; P454-W457 CarbonylContact O-C 3.52Å; P454-W457 WeakPolarHBondContact O-CA 3.3Å; P454-W457 WeakPolarHBondContact O-CB 2.91Å; P454-W457 PolarHBondContact O-N 2.93Å; W457-N459 PolarHBondContact O-N 3.33Å; W457-W460 AromaticContact CD1-CD2 3.64Å; W457-W460 AromaticContact CD1-CE3 3.43Å; W457-W460 VanDerWaalsContact CD1-CE3 3.43Å; W457-W460 AromaticContact CD1-CZ3 3.65Å; W457-W460 HydrophobicContact CG-CD2 4.38Å; W457-W460 HydrophobicContact CG-CE3 4.49Å; W457-W460 AromaticContact NE1-CE3 3.74Å; W457-W460 AromaticContact NE1-CZ3 3.98Å; W457-W460 WeakPolarHBondContact O-CB 3.32Å; W457-W460 PolarHBondContact O-N 2.69Å; W457-L578 VanDerWaalsContact NE1-CD2 3.34Å; W457-A579 HydrophobicContact CH2-CB 3.85Å; W457-A579 HydrophobicContact CZ2-CB 4.05Å; W457-Q582 HydrophobicContact CB-CG 4.23Å; W457-Q582 HydrophobicContact CD2-CG 3.6Å; W457-Q582 HydrophobicContact CE3-CB 4.38Å; W457-Q582 HydrophobicContact CE3-CG 3.71Å; W457-Q582 HydrophobicContact CG-CG 3.82Å; W457-Q582 HydrophobicContact CZ3-CG 4.29Å
458L94.4Very high92.4Very high31 Ų3143.5 Ų43.516%0.16222%0.219CC..Hα-helixtrans-62.5-22.6173-71.7170.6000112.5Q68 V71 L72 P454 L455Q68-L458 HydrophobicContact CB-CD2 3.9Å; Q68-L458 HydrophobicContact CG-CD2 4.15Å; Q68-L458 PolarHBondContact NE2-O 2.8Å; Q68-L458 VanDerWaalsContact NE2-O 3.11Å; Q68-L458 WeakPolarHBondContact O-CD2 3.35Å; V71-L458 HydrophobicContact CB-CD2 4.38Å; V71-L458 HydrophobicContact CG1-CD2 4.39Å; L72-L458 HydrophobicContact CB-CD1 4.49Å; L72-L458 HydrophobicContact CB-CD2 4.13Å; L72-L458 HydrophobicContact CD1-CD1 4.05Å; P454-L458 HydrophobicContact CB-CD1 4.47Å; P454-L458 WeakPolarHBondContact O-CG 3.41Å; P454-L458 PolarHBondContact O-N 3.26Å; L455-L458 HydrophobicContact CD2-CD1 4.34Å
459N92.2Very high92.4Very high113 Ų11344.6 Ų44.660%0.60422%0.223SC*.THydrogen-bonded Turntrans-94.38.2174.2-65.8-19.5000113.2L455 K456 W457L455-N459 PolarHBondContact O-ND2 2.82Å; K456-N459 PolarHBondContact O-N 3.3Å; W457-N459 PolarHBondContact O-N 3.33Å
460W93.4Very high92.4Very high66 Ų6644.5 Ų44.525%0.2522%0.222CC..  trans-70.9142.1175.5-78.412.8000111L64 Q68 K456 W457 D464 H468 L578L64-W460 HydrophobicContact CD2-CB 4.41Å; L64-W460 WeakPolarHBondContact CD2-O 3.4Å; Q68-W460 PolarHBondContact NE2-O 2.89Å; K456-W460 PolarHBondContact O-NE1 3.08Å; W457-W460 AromaticContact CD1-CD2 3.64Å; W457-W460 AromaticContact CD1-CE3 3.43Å; W457-W460 VanDerWaalsContact CD1-CE3 3.43Å; W457-W460 AromaticContact CD1-CZ3 3.65Å; W457-W460 HydrophobicContact CG-CD2 4.38Å; W457-W460 HydrophobicContact CG-CE3 4.49Å; W457-W460 AromaticContact NE1-CE3 3.74Å; W457-W460 AromaticContact NE1-CZ3 3.98Å; W457-W460 WeakPolarHBondContact O-CB 3.32Å; W457-W460 PolarHBondContact O-N 2.69Å; W460-D464 HydrophobicContact CB-CB 3.85Å; W460-D464 HydrophobicContact CD2-CB 3.95Å; W460-D464 HydrophobicContact CE3-CB 4.28Å; W460-D464 HydrophobicContact CG-CB 3.77Å; W460-H468 HydrophobicContact CH2-CB 3.99Å; W460-H468 HydrophobicContact CZ3-CB 3.7Å; W460-L578 HydrophobicContact CH2-CD2 4.08Å; W460-L578 HydrophobicContact CZ3-CD2 3.67Å
461T93.4Very high92.6Very high74 Ų7446.8 Ų46.845%0.45423%0.228SC..  trans-85.3167166.661.40000110.8L64 L463 D464 A465L64-T461 VanDerWaalsContact CD2-O 3.28Å; L64-T461 WeakPolarHBondContact CD2-O 3.22Å; T461-L463 PolarHBondContact O-N 3.26Å; T461-L463 PolarHBondContact OG1-N 2.77Å; T461-D464 PolarHBondContact N-OD2 3.19Å; T461-D464 PolarHBondContact O-N 3.42Å; T461-D464 PolarHBondContact OG1-N 3.42Å; T461-D464 PolarHBondContact OG1-OD2 3.26Å; T461-A465 PolarHBondContact O-N 3.37Å
462E91.7Very high92.7Very high64 Ų6444.5 Ų44.530%0.29922%0.218SC..Hα-helixtrans-55.1-34.9169.2-80.8-67.417000111.7L64 A465 N466 R469L64-E462 HydrophobicContact CB-CG 4.39Å; L64-E462 WeakPolarHBondContact CB-OE1 3.25Å; L64-E462 PolarHBondContact N-OE1 3.11Å; L64-E462 VanDerWaalsContact N-OE1 3.1Å; E462-A465 PolarHBondContact O-N 3.33Å; E462-N466 WeakPolarHBondContact O-CB 3.23Å; E462-N466 PolarHBondContact O-N 3Å; E462-N466 PolarHBondContact O-ND2 2.89Å; E462-R469 IonicContact OE2-NH2 3.72Å
463L92.5Very high93.2Very high23 Ų2339.7 Ų39.712%0.1220%0.195CC..Hα-helixtrans-61.6-44.2174.3179.163.6000111.9T461 N466 K467 L511 D515T461-L463 PolarHBondContact O-N 3.26Å; T461-L463 PolarHBondContact OG1-N 2.77Å; L463-N466 PolarHBondContact O-N 2.91Å; L463-K467 HydrophobicContact CG-CD 4.3Å; L463-K467 WeakPolarHBondContact O-CB 3.3Å; L463-K467 VanDerWaalsContact O-CG 3.24Å; L463-K467 WeakPolarHBondContact O-CG 3.3Å; L463-K467 PolarHBondContact O-N 3.33Å; L463-L511 HydrophobicContact CD1-CB 4.02Å; L463-L511 HydrophobicContact CD1-CD2 3.65Å; L463-L511 HydrophobicContact CD1-CG 4.38Å; L463-D515 HydrophobicContact CD2-CB 4.06Å; L463-D515 VanDerWaalsContact CD2-CG 3.47Å; L463-D515 WeakPolarHBondContact CD2-OD1 3.47Å
464D93.8Very high93.7Very high55 Ų5539 Ų3929%0.29419%0.191SC..Hα-helixtrans-65.5-42.4177.5-63.8-53000112.1W460 T461 N466 K467 H468W460-D464 HydrophobicContact CB-CB 3.85Å; W460-D464 HydrophobicContact CD2-CB 3.95Å; W460-D464 HydrophobicContact CE3-CB 4.28Å; W460-D464 HydrophobicContact CG-CB 3.77Å; T461-D464 PolarHBondContact N-OD2 3.19Å; T461-D464 PolarHBondContact O-N 3.42Å; T461-D464 PolarHBondContact OG1-N 3.42Å; T461-D464 PolarHBondContact OG1-OD2 3.26Å; D464-N466 VanDerWaalsContact C-N 3.35Å; D464-N466 PolarHBondContact O-N 3.22Å; D464-K467 PolarHBondContact O-N 3.19Å; D464-H468 PolarHBondContact O-N 2.96Å
465A94.3Very high93.9Very high8 Ų843.2 Ų43.27%0.06621%0.205CC..Hα-helixtrans-61.2-43.1174.800000111.5L64 T461 E462 H468 R469L64-A465 HydrophobicContact CD1-CB 4.18Å; L64-A465 HydrophobicContact CD2-CB 3.99Å; T461-A465 PolarHBondContact O-N 3.37Å; E462-A465 PolarHBondContact O-N 3.33Å; A465-H468 WeakPolarHBondContact O-CB 3.35Å; A465-H468 PolarHBondContact O-N 3.36Å; A465-R469 WeakPolarHBondContact O-CG 3.35Å; A465-R469 PolarHBondContact O-N 3.41Å
466N94.9Very high94Very high8 Ų839.7 Ų39.74%0.04319%0.186CC..Hα-helixtrans-63.1-45.3174.5-80.6-47.4000112.6E462 L463 D464 H468 R469 I470 L511 I527E462-N466 WeakPolarHBondContact O-CB 3.23Å; E462-N466 PolarHBondContact O-N 3Å; E462-N466 PolarHBondContact O-ND2 2.89Å; L463-N466 PolarHBondContact O-N 2.91Å; D464-N466 VanDerWaalsContact C-N 3.35Å; D464-N466 PolarHBondContact O-N 3.22Å; N466-H468 PolarHBondContact O-N 2.93Å; N466-R469 PolarHBondContact O-N 2.91Å; N466-R469 PolarHBondContact OD1-NE 3.41Å; N466-R469 VanDerWaalsContact OD1-NE 3.12Å; N466-R469 PolarHBondContact OD1-NH2 3.39Å; N466-I470 WeakPolarHBondContact O-CD1 3.33Å; N466-I470 WeakPolarHBondContact O-CG1 3.12Å; N466-I470 PolarHBondContact O-N 2.9Å; N466-L511 HydrophobicContact CB-CD2 4.33Å; N466-I527 HydrophobicContact CB-CD1 4.11Å
467K95.7Very high94.1Very high49 Ų4935.5 Ų35.521%0.21317%0.168CC..Hα-helixtrans-56.2-39173.6-72.6169.8-179.4161.30111.4L463 D464 R471 V501 L511L463-K467 HydrophobicContact CG-CD 4.3Å; L463-K467 WeakPolarHBondContact O-CB 3.3Å; L463-K467 VanDerWaalsContact O-CG 3.24Å; L463-K467 WeakPolarHBondContact O-CG 3.3Å; L463-K467 PolarHBondContact O-N 3.33Å; D464-K467 PolarHBondContact O-N 3.19Å; K467-R471 VanDerWaalsContact O-CG 3.29Å; K467-R471 WeakPolarHBondContact O-CG 3.41Å; K467-R471 PolarHBondContact O-N 3.23Å; K467-V501 HydrophobicContact CB-CG1 4.4Å; K467-V501 HydrophobicContact CB-CG2 4.03Å; K467-V501 HydrophobicContact CD-CG1 4.11Å; K467-V501 HydrophobicContact CG-CG1 3.78Å; K467-V501 HydrophobicContact CG-CG2 4.14Å; K467-L511 HydrophobicContact CG-CD1 4.01Å; K467-L511 HydrophobicContact CG-CD2 4.41Å
468H95.3Very high94Very high39 Ų3935.5 Ų35.518%0.18117%0.169CC..Hα-helixtrans-67-49.4174.9-178.574.9000112.4W460 D464 A465 N466 I470 R471 V472W460-H468 HydrophobicContact CH2-CB 3.99Å; W460-H468 HydrophobicContact CZ3-CB 3.7Å; D464-H468 PolarHBondContact O-N 2.96Å; A465-H468 WeakPolarHBondContact O-CB 3.35Å; A465-H468 PolarHBondContact O-N 3.36Å; N466-H468 PolarHBondContact O-N 2.93Å; H468-I470 VanDerWaalsContact C-N 3.31Å; H468-I470 PolarHBondContact O-N 3.04Å; H468-R471 PolarHBondContact O-N 2.88Å; H468-R471 VanDerWaalsContact O-N 3.15Å; H468-V472 WeakPolarHBondContact O-CG2 3.27Å; H468-V472 PolarHBondContact O-N 3.42Å
469R95.5Very high93.7Very high24 Ų2436 Ų369%0.09117%0.172CC..Hα-helixtrans-52.9-48.1177-74.6-173.3-90.7-169-10.3112.1E462 A465 N466 R471 V472 L473 W571 I574 P575E462-R469 IonicContact OE2-NH2 3.72Å; A465-R469 WeakPolarHBondContact O-CG 3.35Å; A465-R469 PolarHBondContact O-N 3.41Å; N466-R469 PolarHBondContact O-N 2.91Å; N466-R469 PolarHBondContact OD1-NE 3.41Å; N466-R469 VanDerWaalsContact OD1-NE 3.12Å; N466-R469 PolarHBondContact OD1-NH2 3.39Å; R469-R471 PolarHBondContact O-N 3.5Å; R469-V472 PolarHBondContact O-N 2.93Å; R469-L473 WeakPolarHBondContact O-CB 3.28Å; R469-L473 PolarHBondContact O-N 3.41Å; R469-W571 HydrophobicContact CB-CD2 4.36Å; R469-W571 HydrophobicContact CB-CE3 3.81Å; R469-W571 HydrophobicContact CB-CH2 3.7Å; R469-W571 HydrophobicContact CB-CZ2 4.26Å; R469-W571 HydrophobicContact CB-CZ3 3.46Å; R469-W571 VanDerWaalsContact CB-CZ3 3.46Å; R469-W571 WeakPolarHBondContact CD-O 3.14Å; R469-I574 HydrophobicContact CG-CB 4.1Å; R469-I574 HydrophobicContact CG-CG2 3.82Å; R469-P575 HydrophobicContact CG-CG 4.08Å
470I97.2Very high93.4Very high0 Ų030.8 Ų30.80%014%0.143CC..Hα-helixtrans-58.6-47.1178.8-66.3164.6000111.1N466 H468 L473 A474 P500 V501 I507 L511 V532 I536 W571N466-I470 WeakPolarHBondContact O-CD1 3.33Å; N466-I470 WeakPolarHBondContact O-CG1 3.12Å; N466-I470 PolarHBondContact O-N 2.9Å; H468-I470 VanDerWaalsContact C-N 3.31Å; H468-I470 PolarHBondContact O-N 3.04Å; I470-L473 PolarHBondContact O-N 2.79Å; I470-A474 VanDerWaalsContact O-CB 3.22Å; I470-A474 WeakPolarHBondContact O-CB 3.42Å; I470-A474 PolarHBondContact O-N 3.17Å; I470-P500 HydrophobicContact CG2-CB 4.1Å; I470-P500 HydrophobicContact CG2-CG 3.77Å; I470-V501 HydrophobicContact CB-CG2 4.43Å; I470-V501 HydrophobicContact CG2-CG2 4.27Å; I470-I507 HydrophobicContact CD1-CG2 4.06Å; I470-I507 HydrophobicContact CG2-CD1 4.06Å; I470-I507 HydrophobicContact CG2-CG2 4.14Å; I470-L511 HydrophobicContact CD1-CD1 4.01Å; I470-L511 HydrophobicContact CD1-CD2 3.85Å; I470-L511 HydrophobicContact CD1-CG 4.2Å; I470-V532 HydrophobicContact CD1-CG1 4.48Å; I470-V532 HydrophobicContact CG1-CG1 3.74Å; I470-V532 HydrophobicContact CG1-CG2 4.38Å; I470-I536 HydrophobicContact CG2-CD1 4.26Å; I470-W571 HydrophobicContact CG1-CH2 3.88Å; I470-W571 HydrophobicContact CG1-CZ3 3.93Å
471R96.5Very high93Very high66 Ų6627.7 Ų27.725%0.24913%0.132CC..Hα-helixtrans-64.1-42.1179.8-72.9170.9-178.6132-5.8112.3K467 H468 R469 R475 D499 P500 V501K467-R471 VanDerWaalsContact O-CG 3.29Å; K467-R471 WeakPolarHBondContact O-CG 3.41Å; K467-R471 PolarHBondContact O-N 3.23Å; H468-R471 PolarHBondContact O-N 2.88Å; H468-R471 VanDerWaalsContact O-N 3.15Å; R469-R471 PolarHBondContact O-N 3.5Å; R471-R475 WeakPolarHBondContact O-CB 3.19Å; R471-R475 WeakPolarHBondContact O-CD 3.42Å; R471-R475 WeakPolarHBondContact O-CG 3.43Å; R471-R475 PolarHBondContact O-N 3.39Å; R471-R475 VanDerWaalsContact O-N 3.08Å; R471-D499 WeakPolarHBondContact CG-OD1 3.48Å; R471-D499 IonicContact CZ-OD1 2.81Å; R471-D499 IonicContact CZ-OD2 2.86Å; R471-D499 VanDerWaalsContact NE-CG 3.29Å; R471-D499 IonicContact NE-OD1 2.74Å; R471-D499 PolarHBondContact NE-OD1 2.88Å; R471-D499 IonicContact NE-OD2 3.55Å; R471-D499 PolarHBondContact NE-OD2 3.4Å; R471-D499 IonicContact NH2-OD1 3.85Å; R471-D499 IonicContact NH2-OD2 2.79Å; R471-D499 PolarHBondContact NH2-OD2 3.2Å; R471-P500 HydrophobicContact CG-CG 4.37Å; R471-V501 HydrophobicContact CG-CG2 4.1Å
472V95.1Very high92.7Very high7 Ų725.3 Ų25.34%0.04212%0.116CC..Hα-helixtrans-64-51.7177.8172.60000109.8W28 H468 R469 A474 R475 I476 I574W28-V472 HydrophobicContact CE3-CG1 3.91Å; W28-V472 HydrophobicContact CE3-CG2 4.34Å; H468-V472 WeakPolarHBondContact O-CG2 3.27Å; H468-V472 PolarHBondContact O-N 3.42Å; R469-V472 PolarHBondContact O-N 2.93Å; V472-A474 PolarHBondContact O-N 2.94Å; V472-R475 PolarHBondContact O-N 3.26Å; V472-I476 HydrophobicContact CG1-CD1 3.83Å; V472-I476 HydrophobicContact CG1-CG1 4.45Å; V472-I476 WeakPolarHBondContact O-CG1 3.46Å; V472-I476 PolarHBondContact O-N 2.72Å; V472-I574 HydrophobicContact CB-CD1 3.88Å; V472-I574 HydrophobicContact CB-CG1 4.49Å; V472-I574 HydrophobicContact CG1-CD1 3.66Å; V472-I574 HydrophobicContact CG1-CG1 4.01Å
473L94.8Very high92.2Very high0 Ų024 Ų240%011%0.111CC..Hα-helixtrans-60.6-45-179.6-179.860.4000112.1R469 I470 R475 I476 I477 F529 I536 F567 W571R469-L473 WeakPolarHBondContact O-CB 3.28Å; R469-L473 PolarHBondContact O-N 3.41Å; I470-L473 PolarHBondContact O-N 2.79Å; L473-R475 VanDerWaalsContact C-N 3.3Å; L473-R475 PolarHBondContact O-N 2.96Å; L473-I476 PolarHBondContact O-N 3.12Å; L473-I477 HydrophobicContact CD1-CD1 4.07Å; L473-I477 HydrophobicContact CD1-CG1 4.42Å; L473-I477 HydrophobicContact CG-CD1 4.05Å; L473-I477 WeakPolarHBondContact O-CG1 3.26Å; L473-I477 PolarHBondContact O-N 2.95Å; L473-F529 HydrophobicContact CD2-CD2 4.06Å; L473-F529 HydrophobicContact CD2-CE2 3.76Å; L473-I536 HydrophobicContact CB-CD1 4.17Å; L473-I536 HydrophobicContact CD2-CD1 3.8Å; L473-I536 HydrophobicContact CG-CD1 3.95Å; L473-F567 HydrophobicContact CD1-CB 3.88Å; L473-F567 HydrophobicContact CD1-CD1 4.09Å; L473-F567 HydrophobicContact CD1-CG 4Å; L473-W571 HydrophobicContact CD2-CE3 3.87Å; L473-W571 HydrophobicContact CD2-CZ3 4.42Å
474A95.4Very high91.5Very high1 Ų129 Ų291%0.00813%0.128CC..Hα-helixtrans-62.1-37.6177.700000112.6I470 V472 I477 L478 P500 I536 W540I470-A474 VanDerWaalsContact O-CB 3.22Å; I470-A474 WeakPolarHBondContact O-CB 3.42Å; I470-A474 PolarHBondContact O-N 3.17Å; V472-A474 PolarHBondContact O-N 2.94Å; A474-I477 PolarHBondContact O-N 3.13Å; A474-L478 PolarHBondContact O-N 2.88Å; A474-P500 HydrophobicContact CB-CB 4.28Å; A474-P500 HydrophobicContact CB-CG 3.7Å; A474-I536 HydrophobicContact CB-CD1 4.24Å; A474-I536 HydrophobicContact CB-CG1 4.49Å; A474-I536 HydrophobicContact CB-CG2 3.96Å; A474-W540 HydrophobicContact CB-CZ2 4.5Å; A474-W540 PolarHBondContact O-NE1 3Å
475R94Very high90.9Very high106 Ų10629.3 Ų29.340%0.413%0.126SC..Hα-helixtrans-72.4-35.1176.3-74.4173.4-177.7175.52.5112.7I29 R471 V472 L473 L478 D479I29-R475 HydrophobicContact CD1-CB 3.38Å; I29-R475 HydrophobicContact CG1-CB 3.99Å; R471-R475 WeakPolarHBondContact O-CB 3.19Å; R471-R475 WeakPolarHBondContact O-CD 3.42Å; R471-R475 WeakPolarHBondContact O-CG 3.43Å; R471-R475 PolarHBondContact O-N 3.39Å; R471-R475 VanDerWaalsContact O-N 3.08Å; V472-R475 PolarHBondContact O-N 3.26Å; L473-R475 VanDerWaalsContact C-N 3.3Å; L473-R475 PolarHBondContact O-N 2.96Å; R475-L478 PolarHBondContact O-N 2.88Å; R475-D479 WeakPolarHBondContact O-CB 3.48Å; R475-D479 PolarHBondContact O-N 2.72Å
476I91.5Very high90Very high3 Ų334.4 Ų34.42%0.01515%0.152CC..Hα-helixtrans-61-49.5171.7-70.7169.3000109.1I29 L32 C33 V472 L473 L478 D479 L480 F567 I570I29-I476 HydrophobicContact CD1-CG1 3.85Å; L32-I476 HydrophobicContact CB-CD1 4.21Å; L32-I476 HydrophobicContact CD1-CD1 4.24Å; C33-I476 HydrophobicContact CB-CG2 3.81Å; V472-I476 HydrophobicContact CG1-CD1 3.83Å; V472-I476 HydrophobicContact CG1-CG1 4.45Å; V472-I476 WeakPolarHBondContact O-CG1 3.46Å; V472-I476 PolarHBondContact O-N 2.72Å; L473-I476 PolarHBondContact O-N 3.12Å; I476-L478 VanDerWaalsContact C-N 3.32Å; I476-L478 PolarHBondContact O-N 3.3Å; I476-D479 WeakPolarHBondContact O-CB 3.46Å; I476-D479 PolarHBondContact O-N 3.04Å; I476-D479 VanDerWaalsContact O-N 3.13Å; I476-L480 WeakPolarHBondContact O-CG 3.22Å; I476-L480 PolarHBondContact O-N 3.34Å; I476-F567 HydrophobicContact CG2-CE1 4.06Å; I476-I570 HydrophobicContact CD1-CD1 4.38Å; I476-I570 HydrophobicContact CD1-CG2 3.89Å
477I91.5Very high89.4Confident0 Ų037.7 Ų37.70%017%0.169CC..Hα-helixtrans-61.3-41.2178.5-69.1167.4000111.2L473 A474 D479 L480 I481 Y533 I536 I537 F560 F567L473-I477 HydrophobicContact CD1-CD1 4.07Å; L473-I477 HydrophobicContact CD1-CG1 4.42Å; L473-I477 HydrophobicContact CG-CD1 4.05Å; L473-I477 WeakPolarHBondContact O-CG1 3.26Å; L473-I477 PolarHBondContact O-N 2.95Å; A474-I477 PolarHBondContact O-N 3.13Å; I477-D479 PolarHBondContact O-N 2.89Å; I477-L480 WeakPolarHBondContact O-CB 3.29Å; I477-L480 PolarHBondContact O-N 2.92Å; I477-I481 HydrophobicContact CG2-CD1 4.32Å; I477-I481 WeakPolarHBondContact O-CG1 3.48Å; I477-I481 PolarHBondContact O-N 2.92Å; I477-Y533 HydrophobicContact CD1-CD2 4.18Å; I477-Y533 HydrophobicContact CD1-CE2 4.08Å; I477-I536 HydrophobicContact CD1-CG2 3.72Å; I477-I537 HydrophobicContact CD1-CD1 4.36Å; I477-I537 HydrophobicContact CG2-CD1 4.34Å; I477-F560 HydrophobicContact CG2-CD2 3.89Å; I477-F560 HydrophobicContact CG2-CE2 3.72Å; I477-F567 HydrophobicContact CD1-CE2 4.45Å; I477-F567 HydrophobicContact CG1-CE1 4.47Å; I477-F567 HydrophobicContact CG1-CE2 4.13Å; I477-F567 HydrophobicContact CG1-CZ 4.07Å
478L91.3Very high88.9Confident9 Ų937.8 Ų37.85%0.04717%0.172CC..Hα-helixtrans-58.6-47.9173.1177.562.8000111.7A474 R475 I476 L480 I481 L482 Y495 W540 I547A474-L478 PolarHBondContact O-N 2.88Å; R475-L478 PolarHBondContact O-N 2.88Å; I476-L478 VanDerWaalsContact C-N 3.32Å; I476-L478 PolarHBondContact O-N 3.3Å; L478-L480 PolarHBondContact O-N 2.99Å; L478-I481 WeakPolarHBondContact O-CB 3.39Å; L478-I481 PolarHBondContact O-N 3.23Å; L478-L482 HydrophobicContact CD1-CD1 4.46Å; L478-L482 HydrophobicContact CD1-CD2 4.43Å; L478-L482 HydrophobicContact CD1-CG 4.23Å; L478-L482 HydrophobicContact CG-CD1 4.22Å; L478-L482 HydrophobicContact CG-CG 4.37Å; L478-L482 WeakPolarHBondContact O-CG 3.48Å; L478-L482 PolarHBondContact O-N 3.03Å; L478-Y495 WeakPolarHBondContact CD2-O 3.21Å; L478-W540 HydrophobicContact CB-CH2 4.06Å; L478-W540 HydrophobicContact CB-CZ2 3.67Å; L478-W540 HydrophobicContact CD1-CE3 4.28Å; L478-W540 HydrophobicContact CD1-CH2 3.91Å; L478-W540 HydrophobicContact CD1-CZ2 4.33Å; L478-W540 HydrophobicContact CD1-CZ3 3.88Å; L478-W540 HydrophobicContact CD2-CH2 3.78Å; L478-W540 HydrophobicContact CD2-CZ2 4.16Å; L478-W540 HydrophobicContact CD2-CZ3 4.49Å; L478-W540 HydrophobicContact CG-CH2 4.12Å; L478-W540 HydrophobicContact CG-CZ2 4.26Å; L478-I547 HydrophobicContact CD1-CD1 4.1Å
479D87.9Confident88.5Confident42 Ų4237 Ų3723%0.22517%0.17CC..Hα-helixtrans-56.9-39.2178.6-157.347.1000111I29 G30 R475 I476 I477 L482 I483I29-D479 HydrophobicContact CG2-CB 3.71Å; G30-D479 PolarHBondContact N-OD2 2.9Å; R475-D479 WeakPolarHBondContact O-CB 3.48Å; R475-D479 PolarHBondContact O-N 2.72Å; I476-D479 WeakPolarHBondContact O-CB 3.46Å; I476-D479 PolarHBondContact O-N 3.04Å; I476-D479 VanDerWaalsContact O-N 3.13Å; I477-D479 PolarHBondContact O-N 2.89Å; D479-L482 PolarHBondContact O-N 3.26Å; D479-I483 VanDerWaalsContact O-CG1 3.26Å; D479-I483 WeakPolarHBondContact O-CG1 3.33Å; D479-I483 PolarHBondContact O-N 3.4Å
480L85.5Confident88Confident3 Ų341.6 Ų41.62%0.01620%0.203CC..Hα-helixtrans-67-39.1174.5-63.7-174.8000113.9I35 I476 I477 L478 L482 I483 R484 F560 Y563 F567I35-L480 HydrophobicContact CB-CD2 4.35Å; I35-L480 HydrophobicContact CD1-CD1 4.2Å; I35-L480 HydrophobicContact CD1-CD2 3.26Å; I35-L480 HydrophobicContact CD1-CG 4.25Å; I35-L480 HydrophobicContact CG1-CD2 3.54Å; I476-L480 WeakPolarHBondContact O-CG 3.22Å; I476-L480 PolarHBondContact O-N 3.34Å; I477-L480 WeakPolarHBondContact O-CB 3.29Å; I477-L480 PolarHBondContact O-N 2.92Å; L478-L480 PolarHBondContact O-N 2.99Å; L480-L482 VanDerWaalsContact C-N 3.31Å; L480-I483 PolarHBondContact O-N 2.97Å; L480-R484 VanDerWaalsContact O-CB 3.23Å; L480-R484 WeakPolarHBondContact O-CB 3.45Å; L480-R484 PolarHBondContact O-N 3.36Å; L480-F560 HydrophobicContact CB-CE1 4.14Å; L480-F560 HydrophobicContact CB-CZ 4.15Å; L480-Y563 HydrophobicContact CD1-CD2 4.16Å; L480-F567 HydrophobicContact CD1-CE1 3.74Å; L480-F567 HydrophobicContact CD1-CZ 3.45Å; L480-F567 VanDerWaalsContact CD1-CZ 3.45Å
481I86.2Confident87.6Confident0 Ų045.4 Ų45.40%022%0.223CC..Hα-helixtrans-58.1-48.6171.3-64.1166.9000109I477 L478 I483 R484 Y485 W540 L544 I547 L558 F560I477-I481 HydrophobicContact CG2-CD1 4.32Å; I477-I481 WeakPolarHBondContact O-CG1 3.48Å; I477-I481 PolarHBondContact O-N 2.92Å; L478-I481 WeakPolarHBondContact O-CB 3.39Å; L478-I481 PolarHBondContact O-N 3.23Å; I481-I483 VanDerWaalsContact C-N 3.28Å; I481-I483 PolarHBondContact O-N 3.44Å; I481-R484 PolarHBondContact O-N 2.91Å; I481-Y485 HydrophobicContact CG2-CD2 3.89Å; I481-Y485 HydrophobicContact CG2-CE2 4.33Å; I481-Y485 VanDerWaalsContact O-CD2 3.3Å; I481-Y485 WeakPolarHBondContact O-CD2 3.25Å; I481-Y485 PolarHBondContact O-N 3.12Å; I481-Y485 VanDerWaalsContact O-N 3.08Å; I481-W540 HydrophobicContact CD1-CB 3.86Å; I481-W540 HydrophobicContact CD1-CD2 4.34Å; I481-W540 HydrophobicContact CD1-CG 3.95Å; I481-L544 HydrophobicContact CG2-CD1 3.97Å; I481-I547 HydrophobicContact CG2-CG2 4.31Å; I481-L558 HydrophobicContact CD1-CD1 4.36Å; I481-L558 HydrophobicContact CD1-CD2 3.71Å; I481-L558 HydrophobicContact CG1-CD1 4.02Å; I481-L558 HydrophobicContact CG1-CD2 4.22Å; I481-F560 HydrophobicContact CD1-CE2 4.42Å; I481-F560 HydrophobicContact CG1-CE2 3.73Å; I481-F560 HydrophobicContact CG1-CZ 3.68Å
482L85.6Confident87.2Confident25 Ų2544 Ų4413%0.13122%0.219CC..Hα-helixtrans-65.9-28.8-177.9-61.2-179.9000113.3L478 D479 L480 L488 F492 I547L478-L482 HydrophobicContact CD1-CD1 4.46Å; L478-L482 HydrophobicContact CD1-CD2 4.43Å; L478-L482 HydrophobicContact CD1-CG 4.23Å; L478-L482 HydrophobicContact CG-CD1 4.22Å; L478-L482 HydrophobicContact CG-CG 4.37Å; L478-L482 WeakPolarHBondContact O-CG 3.48Å; L478-L482 PolarHBondContact O-N 3.03Å; D479-L482 PolarHBondContact O-N 3.26Å; L480-L482 VanDerWaalsContact C-N 3.31Å; L482-L488 HydrophobicContact CD2-CD1 4.11Å; L482-L488 HydrophobicContact CD2-CD2 3.66Å; L482-F492 HydrophobicContact CD1-CD2 4.08Å; L482-F492 HydrophobicContact CD1-CE2 3.97Å; L482-F492 HydrophobicContact CD2-CD2 3.54Å; L482-F492 HydrophobicContact CD2-CE2 4.01Å; L482-F492 HydrophobicContact CD2-CG 4.33Å; L482-F492 HydrophobicContact CG-CD2 4.47Å; L482-I547 HydrophobicContact CD2-CG2 4.08Å
483I81.5Confident86.8Confident37 Ų3748.3 Ų48.319%0.1924%0.239CC..Hα-helixtrans-78-43175.2-68.9164.1000111.3I35 K37 D479 L480 I481I35-I483 HydrophobicContact CB-CG2 4.36Å; I35-I483 HydrophobicContact CG2-CG2 4.46Å; K37-I483 HydrophobicContact CG-CG2 4Å; D479-I483 VanDerWaalsContact O-CG1 3.26Å; D479-I483 WeakPolarHBondContact O-CG1 3.33Å; D479-I483 PolarHBondContact O-N 3.4Å; L480-I483 PolarHBondContact O-N 2.97Å; I481-I483 VanDerWaalsContact C-N 3.28Å; I481-I483 PolarHBondContact O-N 3.44Å
484R78.9Confident86.6Confident127 Ų12753.5 Ų53.548%0.47926%0.263SS..Hα-helixtrans-73.4-31.4-173.2-173.9175.4-174.6119.2-7.3113.1L480 I481 E562L480-R484 VanDerWaalsContact O-CB 3.23Å; L480-R484 WeakPolarHBondContact O-CB 3.45Å; L480-R484 PolarHBondContact O-N 3.36Å; I481-R484 PolarHBondContact O-N 2.91Å; R484-E562 IonicContact CZ-OE1 3.62Å; R484-E562 IonicContact NH1-OE1 2.77Å; R484-E562 PolarHBondContact NH1-OE1 3.05Å; R484-E562 IonicContact NH2-OE1 2.77Å
485Y79.9Confident86.4Confident62 Ų6254.4 Ų54.424%0.24327%0.266CS..  trans-112119.3-176.3-62-81.2000110.9I481 L488 L548 L558I481-Y485 HydrophobicContact CG2-CD2 3.89Å; I481-Y485 HydrophobicContact CG2-CE2 4.33Å; I481-Y485 VanDerWaalsContact O-CD2 3.3Å; I481-Y485 WeakPolarHBondContact O-CD2 3.25Å; I481-Y485 PolarHBondContact O-N 3.12Å; I481-Y485 VanDerWaalsContact O-N 3.08Å; Y485-L488 WeakPolarHBondContact O-CD2 3.41Å; Y485-L548 HydrophobicContact CD1-CD1 3.92Å; Y485-L548 HydrophobicContact CD2-CD1 4.29Å; Y485-L548 HydrophobicContact CD2-CD2 4.39Å; Y485-L548 HydrophobicContact CE1-CD1 4.27Å; Y485-L548 HydrophobicContact CG-CD1 3.94Å; Y485-L548 HydrophobicContact CG-CD2 3.95Å; Y485-L558 HydrophobicContact CE2-CD1 4.24Å
486D75.7Confident86.2Confident115 Ų11553.9 Ų53.962%0.61527%0.267SS*.SBendtrans-79-22.5-179.6-68.5-46.7000113.6K37 L488K37-D486 IonicContact NZ-OD1 2.72Å; K37-D486 PolarHBondContact NZ-OD1 2.92Å; D486-L488 VanDerWaalsContact C-N 3.32Å; D486-L488 PolarHBondContact O-N 3.32Å
487N82.5Confident86.1Confident76 Ų7664.3 Ų64.341%0.40631%0.306SS..  trans-88.462.4-172.8-62.1-28.6000112.2L548 C549 Q552N487-L548 WeakPolarHBondContact O-CA 3.18Å; N487-C549 HydrophobicContact CB-CB 4.48Å; N487-C549 PolarHBondContact O-N 3.32Å; N487-Q552 PolarHBondContact ND2-OE1 2.86Å
488L86Confident86.1Confident52 Ų5264.7 Ų64.727%0.27231%0.308SS..BIsolated β-bridgetrans-76.7133-178.8-56.8179.9000112L482 Y485 D486 F492 L548L482-L488 HydrophobicContact CD2-CD1 4.11Å; L482-L488 HydrophobicContact CD2-CD2 3.66Å; Y485-L488 WeakPolarHBondContact O-CD2 3.41Å; D486-L488 VanDerWaalsContact C-N 3.32Å; D486-L488 PolarHBondContact O-N 3.32Å; L488-F492 HydrophobicContact CB-CD1 3.98Å; L488-F492 HydrophobicContact CB-CE1 4.31Å; L488-F492 HydrophobicContact CB-CG 4.35Å; L488-F492 HydrophobicContact CD1-CD1 4.4Å; L488-F492 HydrophobicContact CD1-CD2 4.43Å; L488-F492 HydrophobicContact CD1-CE1 4.16Å; L488-F492 HydrophobicContact CD1-CE2 4.18Å; L488-F492 HydrophobicContact CD1-CZ 4.04Å; L488-L548 HydrophobicContact CD2-CD2 4.13Å
489S86.8Confident86.3Confident21 Ų2165.5 Ų65.515%0.14731%0.312CS..  trans-71.1142.9173.71730000111.1I491 F492 D546 I547S489-I491 PolarHBondContact O-N 3Å; S489-I491 VanDerWaalsContact OG-CG1 3.3Å; S489-I491 WeakPolarHBondContact OG-CG1 3.4Å; S489-F492 WeakPolarHBondContact O-CB 3.43Å; S489-F492 WeakPolarHBondContact O-CD1 3.33Å; S489-F492 PolarHBondContact O-N 2.94Å; S489-D546 WeakPolarHBondContact CB-O 3.42Å; S489-D546 PolarHBondContact OG-O 3.15Å; S489-D546 VanDerWaalsContact OG-O 3.13Å; S489-I547 WeakPolarHBondContact CB-O 3.47Å; S489-I547 PolarHBondContact N-O 3.27Å
490P85.2Confident86.6Confident121 Ų12163.6 Ų63.679%0.78630%0.302SS*.THydrogen-bonded Turntrans-55-23-179.7-26.634.5000115.6
491I88Confident87.1Confident80 Ų8064.2 Ų64.241%0.4131%0.306SS..THydrogen-bonded Turntrans-86.6-3.6-179.959.1163.5000113.7S489 E493 Q494 D546S489-I491 PolarHBondContact O-N 3Å; S489-I491 VanDerWaalsContact OG-CG1 3.3Å; S489-I491 WeakPolarHBondContact OG-CG1 3.4Å; I491-E493 PolarHBondContact O-N 2.88Å; I491-Q494 WeakPolarHBondContact O-CG 3.35Å; I491-Q494 PolarHBondContact O-N 3.43Å; I491-Q494 VanDerWaalsContact O-N 3.09Å; I491-D546 HydrophobicContact CD1-CB 4.24Å
492F87.9Confident87.4Confident38 Ų3869.3 Ų69.317%0.16733%0.332CS..G310 helixtrans-57-30.8-171.885.7-87.9000113.7L482 L488 S489 Q494 Y495 I547L482-F492 HydrophobicContact CD1-CD2 4.08Å; L482-F492 HydrophobicContact CD1-CE2 3.97Å; L482-F492 HydrophobicContact CD2-CD2 3.54Å; L482-F492 HydrophobicContact CD2-CE2 4.01Å; L482-F492 HydrophobicContact CD2-CG 4.33Å; L482-F492 HydrophobicContact CG-CD2 4.47Å; L488-F492 HydrophobicContact CB-CD1 3.98Å; L488-F492 HydrophobicContact CB-CE1 4.31Å; L488-F492 HydrophobicContact CB-CG 4.35Å; L488-F492 HydrophobicContact CD1-CD1 4.4Å; L488-F492 HydrophobicContact CD1-CD2 4.43Å; L488-F492 HydrophobicContact CD1-CE1 4.16Å; L488-F492 HydrophobicContact CD1-CE2 4.18Å; L488-F492 HydrophobicContact CD1-CZ 4.04Å; S489-F492 WeakPolarHBondContact O-CB 3.43Å; S489-F492 WeakPolarHBondContact O-CD1 3.33Å; S489-F492 PolarHBondContact O-N 2.94Å; F492-Q494 PolarHBondContact O-N 3.49Å; F492-Q494 VanDerWaalsContact O-N 3.12Å; F492-Y495 WeakPolarHBondContact O-CB 3.32Å; F492-Y495 PolarHBondContact O-N 3.21Å; F492-I547 HydrophobicContact CB-CG2 4.33Å
493E87.7Confident87.8Confident97 Ų9772.2 Ų72.245%0.45335%0.345SS..G310 helixtrans-56.5-28.5179.8-73.2-67.3161.900113I491 Y495 K496I491-E493 PolarHBondContact O-N 2.88Å; E493-Y495 PolarHBondContact O-N 2.75Å; E493-K496 WeakPolarHBondContact O-CB 3.27Å; E493-K496 PolarHBondContact O-N 3.24Å; E493-K496 IonicContact OE1-NZ 2.82Å; E493-K496 PolarHBondContact OE1-NZ 2.52Å; E493-K496 WeakPolarHBondContact OE2-CD 3.49Å; E493-K496 WeakPolarHBondContact OE2-CE 3.26Å; E493-K496 IonicContact OE2-NZ 3.15Å; E493-K496 PolarHBondContact OE2-NZ 3.32Å
494Q89.9Confident88.4Confident109 Ų10971.1 Ų71.151%0.50934%0.34SS..G310 helixtrans-63.5-31.2176.581.2-170.1-6.400112.1I491 F492 K496 R497I491-Q494 WeakPolarHBondContact O-CG 3.35Å; I491-Q494 PolarHBondContact O-N 3.43Å; I491-Q494 VanDerWaalsContact O-N 3.09Å; F492-Q494 PolarHBondContact O-N 3.49Å; F492-Q494 VanDerWaalsContact O-N 3.12Å; Q494-K496 VanDerWaalsContact C-N 3.29Å; Q494-K496 PolarHBondContact O-N 2.91Å; Q494-R497 PolarHBondContact O-N 3.08Å
495Y90.8Very high89.1Confident19 Ų1969.6 Ų69.68%0.07534%0.341CS..G310 helixtrans-75.3-15.7-179.9-63.6-81.8000113L478 F492 E493 R497 F498 W540 Y543 D546 I547L478-Y495 WeakPolarHBondContact CD2-O 3.21Å; F492-Y495 WeakPolarHBondContact O-CB 3.32Å; F492-Y495 PolarHBondContact O-N 3.21Å; E493-Y495 PolarHBondContact O-N 2.75Å; Y495-R497 PolarHBondContact O-N 3.28Å; Y495-F498 WeakPolarHBondContact O-CB 3.46Å; Y495-F498 PolarHBondContact O-N 2.7Å; Y495-W540 HydrophobicContact CD1-CZ3 4.27Å; Y495-Y543 HydrophobicContact CD1-CD1 4.43Å; Y495-Y543 HydrophobicContact CD1-CG 4.2Å; Y495-Y543 AromaticContact CE1-CD1 3.44Å; Y495-Y543 HydrophobicContact CE1-CD1 3.44Å; Y495-Y543 VanDerWaalsContact CE1-CD1 3.44Å; Y495-Y543 HydrophobicContact CE1-CD2 4.41Å; Y495-Y543 HydrophobicContact CE1-CE1 4.12Å; Y495-Y543 AromaticContact CE1-CG 3.59Å; Y495-Y543 HydrophobicContact CE1-CG 3.59Å; Y495-D546 HydrophobicContact CE2-CB 3.83Å; Y495-D546 WeakPolarHBondContact OH-CB 3.47Å; Y495-D546 PolarHBondContact OH-OD2 2.92Å; Y495-I547 HydrophobicContact CD1-CD1 4.41Å; Y495-I547 HydrophobicContact CD1-CG1 4.44Å; Y495-I547 HydrophobicContact CD2-CD1 4.31Å; Y495-I547 HydrophobicContact CD2-CG1 3.58Å; Y495-I547 HydrophobicContact CE2-CG1 3.94Å; Y495-I547 HydrophobicContact CG-CD1 4.09Å; Y495-I547 HydrophobicContact CG-CG1 3.87Å
496K89.5Confident89.7Confident96 Ų9668.4 Ų68.442%0.41735%0.345SS..G310 helixtrans-63.2-20.2169.7-64.6-170.3-1731610112.7E493 Q494E493-K496 WeakPolarHBondContact O-CB 3.27Å; E493-K496 PolarHBondContact O-N 3.24Å; E493-K496 IonicContact OE1-NZ 2.82Å; E493-K496 PolarHBondContact OE1-NZ 2.52Å; E493-K496 WeakPolarHBondContact OE2-CD 3.49Å; E493-K496 WeakPolarHBondContact OE2-CE 3.26Å; E493-K496 IonicContact OE2-NZ 3.15Å; E493-K496 PolarHBondContact OE2-NZ 3.32Å; Q494-K496 VanDerWaalsContact C-N 3.29Å; Q494-K496 PolarHBondContact O-N 2.91Å
497R88.8Confident90.6Very high221 Ų22163 Ų6383%0.83432%0.315SS*.G310 helixtrans-98.71.9174.4-65.7-172.7178.9134.52113.6Q494 Y495 D499Q494-R497 PolarHBondContact O-N 3.08Å; Y495-R497 PolarHBondContact O-N 3.28Å; R497-D499 PolarHBondContact O-N 3.47Å
498F92.4Very high91.2Very high9 Ų963.2 Ų63.24%0.03931%0.313CS..  trans-58.9130.7177.6-176.1-98.7000110.8Y495 P500 Q503 C539 W540 Y543Y495-F498 WeakPolarHBondContact O-CB 3.46Å; Y495-F498 PolarHBondContact O-N 2.7Å; F498-P500 HydrophobicContact CE1-CB 3.96Å; F498-Q503 HydrophobicContact CD2-CB 4.09Å; F498-Q503 HydrophobicContact CD2-CG 4.43Å; F498-Q503 HydrophobicContact CE1-CB 4.48Å; F498-Q503 HydrophobicContact CE2-CB 3.32Å; F498-Q503 HydrophobicContact CE2-CG 4.1Å; F498-Q503 HydrophobicContact CZ-CB 3.54Å; F498-C539 VanDerWaalsContact CE1-SG 3.54Å; F498-C539 WeakPolarHBondContact CZ-SG 3.43Å; F498-W540 HydrophobicContact CB-CH2 3.9Å; F498-W540 AromaticContact CD1-CH2 3.65Å; F498-W540 HydrophobicContact CD1-CH2 3.65Å; F498-W540 AromaticContact CD1-CZ2 3.99Å; F498-W540 HydrophobicContact CD1-CZ2 3.99Å; F498-W540 HydrophobicContact CD1-CZ3 4.24Å; F498-W540 HydrophobicContact CE1-CH2 4.49Å; F498-W540 AromaticContact CG-CH2 3.97Å; F498-W540 HydrophobicContact CG-CH2 3.97Å; F498-W540 HydrophobicContact CG-CZ3 4.39Å; F498-Y543 HydrophobicContact CD2-CE2 4.3Å; F498-Y543 HydrophobicContact CE2-CD2 4.08Å; F498-Y543 AromaticContact CE2-CE2 3.38Å; F498-Y543 HydrophobicContact CE2-CE2 3.38Å; F498-Y543 AromaticContact CE2-CZ 3.85Å; F498-Y543 HydrophobicContact CZ-CD2 4.27Å; F498-Y543 AromaticContact CZ-CE2 3.65Å; F498-Y543 HydrophobicContact CZ-CE2 3.65Å
499D94.8Very high91.5Very high25 Ų2567.8 Ų67.813%0.13433%0.331CS..  trans-111.2101.9173.8-169.9-6.1000110R471 R497 V501 I502 Q503R471-D499 WeakPolarHBondContact CG-OD1 3.48Å; R471-D499 IonicContact CZ-OD1 2.81Å; R471-D499 IonicContact CZ-OD2 2.86Å; R471-D499 VanDerWaalsContact NE-CG 3.29Å; R471-D499 IonicContact NE-OD1 2.74Å; R471-D499 PolarHBondContact NE-OD1 2.88Å; R471-D499 IonicContact NE-OD2 3.55Å; R471-D499 PolarHBondContact NE-OD2 3.4Å; R471-D499 IonicContact NH2-OD1 3.85Å; R471-D499 IonicContact NH2-OD2 2.79Å; R471-D499 PolarHBondContact NH2-OD2 3.2Å; R497-D499 PolarHBondContact O-N 3.47Å; D499-V501 PolarHBondContact O-N 3.12Å; D499-V501 VanDerWaalsContact O-N 3.12Å; D499-V501 WeakPolarHBondContact OD1-CB 3.28Å; D499-V501 PolarHBondContact OD1-N 3.39Å; D499-V501 VanDerWaalsContact OD1-N 3.1Å; D499-I502 HydrophobicContact CB-CB 4.39Å; D499-I502 HydrophobicContact CB-CD1 4.34Å; D499-I502 HydrophobicContact CB-CG1 4.41Å; D499-I502 PolarHBondContact O-N 3.02Å; D499-I502 VanDerWaalsContact OD2-CD1 3.31Å; D499-I502 WeakPolarHBondContact OD2-CD1 3.49Å; D499-Q503 WeakPolarHBondContact O-CB 3.37Å; D499-Q503 PolarHBondContact O-N 3.28Å
500P95.1Very high91.7Very high3 Ų368.4 Ų68.42%0.01933%0.332CS..Hα-helixtrans-58.6-27.618026.5-38.1000112.9I470 R471 A474 F498 I502 C504 I507I470-P500 HydrophobicContact CG2-CB 4.1Å; I470-P500 HydrophobicContact CG2-CG 3.77Å; R471-P500 HydrophobicContact CG-CG 4.37Å; A474-P500 HydrophobicContact CB-CB 4.28Å; A474-P500 HydrophobicContact CB-CG 3.7Å; F498-P500 HydrophobicContact CE1-CB 3.96Å; P500-I502 VanDerWaalsContact C-N 3.26Å; P500-I502 PolarHBondContact O-N 3.13Å; P500-C504 VanDerWaalsContact O-CB 3.27Å; P500-C504 WeakPolarHBondContact O-CB 3.44Å; P500-C504 PolarHBondContact O-N 3.34Å; P500-I507 HydrophobicContact CB-CD1 3.88Å
501V95.3Very high92Very high15 Ų1563 Ų639%0.09130%0.297CS..Hα-helixtrans-66.3-31.1178.7174.70000111.5K467 I470 R471 D499 K508 L511K467-V501 HydrophobicContact CB-CG1 4.4Å; K467-V501 HydrophobicContact CB-CG2 4.03Å; K467-V501 HydrophobicContact CD-CG1 4.11Å; K467-V501 HydrophobicContact CG-CG1 3.78Å; K467-V501 HydrophobicContact CG-CG2 4.14Å; I470-V501 HydrophobicContact CB-CG2 4.43Å; I470-V501 HydrophobicContact CG2-CG2 4.27Å; R471-V501 HydrophobicContact CG-CG2 4.1Å; D499-V501 PolarHBondContact O-N 3.12Å; D499-V501 VanDerWaalsContact O-N 3.12Å; D499-V501 WeakPolarHBondContact OD1-CB 3.28Å; D499-V501 PolarHBondContact OD1-N 3.39Å; D499-V501 VanDerWaalsContact OD1-N 3.1Å; V501-K508 VanDerWaalsContact O-CG 3.23Å; V501-K508 WeakPolarHBondContact O-CG 3.41Å; V501-L511 HydrophobicContact CB-CD1 4.43Å; V501-L511 HydrophobicContact CG1-CD1 3.85Å; V501-L511 HydrophobicContact CG2-CD1 4.24Å
502I93.5Very high91.9Very high107 Ų10761.5 Ų61.555%0.54930%0.296SS..Hα-helixtrans-106.6-16.4-175.3-54172.8000111.6D499 P500 K508D499-I502 HydrophobicContact CB-CB 4.39Å; D499-I502 HydrophobicContact CB-CD1 4.34Å; D499-I502 HydrophobicContact CB-CG1 4.41Å; D499-I502 PolarHBondContact O-N 3.02Å; D499-I502 VanDerWaalsContact OD2-CD1 3.31Å; D499-I502 WeakPolarHBondContact OD2-CD1 3.49Å; P500-I502 VanDerWaalsContact C-N 3.26Å; P500-I502 PolarHBondContact O-N 3.13Å; I502-K508 WeakPolarHBondContact O-CE 3.42Å; I502-K508 PolarHBondContact O-NZ 2.97Å
503Q93.7Very high91.5Very high87 Ų8764.2 Ų64.241%0.40732%0.316SS..Hα-helixtrans-119.3-14.9-171.1-62179.8-95.900114.2F498 D499F498-Q503 HydrophobicContact CD2-CB 4.09Å; F498-Q503 HydrophobicContact CD2-CG 4.43Å; F498-Q503 HydrophobicContact CE1-CB 4.48Å; F498-Q503 HydrophobicContact CE2-CB 3.32Å; F498-Q503 HydrophobicContact CE2-CG 4.1Å; F498-Q503 HydrophobicContact CZ-CB 3.54Å; D499-Q503 WeakPolarHBondContact O-CB 3.37Å; D499-Q503 PolarHBondContact O-N 3.28Å
504C94.4Very high90.4Very high13 Ų1361 Ų619%0.08830%0.302CS..  trans-101.5111.5173.6-177.90000110.8P500 A506 I507 K508 C539P500-C504 VanDerWaalsContact O-CB 3.27Å; P500-C504 WeakPolarHBondContact O-CB 3.44Å; P500-C504 PolarHBondContact O-N 3.34Å; C504-A506 VanDerWaalsContact C-N 3.32Å; C504-A506 PolarHBondContact O-N 3.39Å; C504-I507 HydrophobicContact CB-CB 4Å; C504-I507 HydrophobicContact CB-CD1 3.87Å; C504-I507 HydrophobicContact CB-CG1 4.07Å; C504-I507 PolarHBondContact O-N 3.3Å; C504-I507 VanDerWaalsContact O-N 3.16Å; C504-K508 WeakPolarHBondContact O-CG 3.33Å; C504-K508 PolarHBondContact O-N 3.39Å; C504-C539 HydrophobicContact CB-CB 4.22Å
505D93.3Very high89Confident95 Ų9561 Ų6151%0.50831%0.305SS..Hα-helixtrans-65.9-32-174.8-63.5-31.7000113.5K508 K509D505-K508 PolarHBondContact O-N 3.18Å; D505-K508 IonicContact OD1-NZ 3.14Å; D505-K508 PolarHBondContact OD1-NZ 2.91Å; D505-K509 WeakPolarHBondContact O-CB 3.4Å; D505-K509 VanDerWaalsContact O-CG 3.28Å; D505-K509 WeakPolarHBondContact O-CG 3.08Å; D505-K509 PolarHBondContact O-N 3.36Å
506A93Very high87.1Confident38 Ų3867.1 Ų67.131%0.31433%0.334SS..Hα-helixtrans-63.7-43.8173.900000111.3C504 K509 L510 H535C504-A506 VanDerWaalsContact C-N 3.32Å; C504-A506 PolarHBondContact O-N 3.39Å; A506-K509 PolarHBondContact O-N 3.24Å; A506-L510 WeakPolarHBondContact O-CB 3.39Å; A506-L510 PolarHBondContact O-N 2.66Å; A506-H535 HydrophobicContact CB-CB 4.3Å
507I95.1Very high85.2Confident0 Ų068.7 Ų68.70%035%0.347CS..Hα-helixtrans-66.9-41.3177.2-68.6175000111I470 P500 C504 K509 L510 L511 H535 I536I470-I507 HydrophobicContact CD1-CG2 4.06Å; I470-I507 HydrophobicContact CG2-CD1 4.06Å; I470-I507 HydrophobicContact CG2-CG2 4.14Å; P500-I507 HydrophobicContact CB-CD1 3.88Å; C504-I507 HydrophobicContact CB-CB 4Å; C504-I507 HydrophobicContact CB-CD1 3.87Å; C504-I507 HydrophobicContact CB-CG1 4.07Å; C504-I507 PolarHBondContact O-N 3.3Å; C504-I507 VanDerWaalsContact O-N 3.16Å; I507-K509 VanDerWaalsContact C-N 3.35Å; I507-K509 PolarHBondContact O-N 2.94Å; I507-L510 PolarHBondContact O-N 2.75Å; I507-L511 HydrophobicContact CG2-CD1 3.79Å; I507-L511 HydrophobicContact CG2-CG 4.37Å; I507-L511 WeakPolarHBondContact O-CB 2.99Å; I507-L511 VanDerWaalsContact O-CG 3.31Å; I507-L511 WeakPolarHBondContact O-CG 3.46Å; I507-L511 PolarHBondContact O-N 2.79Å; I507-H535 HydrophobicContact CD1-CB 4.42Å; I507-H535 HydrophobicContact CG1-CB 3.87Å; I507-I536 HydrophobicContact CD1-CG1 3.86Å
508K93.6Very high83.1Confident81 Ų8166.5 Ų66.535%0.35235%0.352SS..Hα-helixtrans-57.2-48.4173.9-71.6175.3-164.2162.10111.8V501 I502 C504 D505 L511 A512V501-K508 VanDerWaalsContact O-CG 3.23Å; V501-K508 WeakPolarHBondContact O-CG 3.41Å; I502-K508 WeakPolarHBondContact O-CE 3.42Å; I502-K508 PolarHBondContact O-NZ 2.97Å; C504-K508 WeakPolarHBondContact O-CG 3.33Å; C504-K508 PolarHBondContact O-N 3.39Å; D505-K508 PolarHBondContact O-N 3.18Å; D505-K508 IonicContact OD1-NZ 3.14Å; D505-K508 PolarHBondContact OD1-NZ 2.91Å; K508-L511 PolarHBondContact O-N 3.24Å; K508-A512 WeakPolarHBondContact O-CB 3.39Å; K508-A512 PolarHBondContact O-N 2.84Å
509K92.3Very high80.8Confident149 Ų14971.6 Ų71.665%0.64838%0.38SS*.Hα-helixtrans-61.4-46.3179.6-73.6174.3-176.8-1770110.8D505 A506 I507 L511 A512 T513D505-K509 WeakPolarHBondContact O-CB 3.4Å; D505-K509 VanDerWaalsContact O-CG 3.28Å; D505-K509 WeakPolarHBondContact O-CG 3.08Å; D505-K509 PolarHBondContact O-N 3.36Å; A506-K509 PolarHBondContact O-N 3.24Å; I507-K509 VanDerWaalsContact C-N 3.35Å; I507-K509 PolarHBondContact O-N 2.94Å; K509-L511 VanDerWaalsContact C-N 3.3Å; K509-L511 PolarHBondContact O-N 3.36Å; K509-A512 PolarHBondContact O-N 2.96Å; K509-T513 WeakPolarHBondContact O-CG2 3.22Å; K509-T513 PolarHBondContact O-N 3.46Å; K509-T513 PolarHBondContact O-OG1 2.85Å
510L91.4Very high78.5Confident34 Ų3479.3 Ų79.318%0.17842%0.417CS..Hα-helixtrans-58-40.3176.1-179.567.9000112.6A506 I507 T513 N514 I527 D531 V532A506-L510 WeakPolarHBondContact O-CB 3.39Å; A506-L510 PolarHBondContact O-N 2.66Å; I507-L510 PolarHBondContact O-N 2.75Å; L510-T513 PolarHBondContact O-OG1 3.23Å; L510-N514 PolarHBondContact O-ND2 3.3Å; L510-I527 HydrophobicContact CD2-CG2 4.39Å; L510-D531 HydrophobicContact CD1-CB 4.26Å; L510-D531 HydrophobicContact CD2-CB 4.15Å; L510-D531 WeakPolarHBondContact CD2-O 3.36Å; L510-V532 HydrophobicContact CD2-CG2 3.81Å
511L91.1Very high76.1Confident8 Ų882.9 Ų82.94%0.04244%0.442CS..Hα-helixtrans-74.1-36.6178.2-70.8169.2000112.3L463 N466 K467 I470 V501 I507 K508 K509 N514 D515 I527L463-L511 HydrophobicContact CD1-CB 4.02Å; L463-L511 HydrophobicContact CD1-CD2 3.65Å; L463-L511 HydrophobicContact CD1-CG 4.38Å; N466-L511 HydrophobicContact CB-CD2 4.33Å; K467-L511 HydrophobicContact CG-CD1 4.01Å; K467-L511 HydrophobicContact CG-CD2 4.41Å; I470-L511 HydrophobicContact CD1-CD1 4.01Å; I470-L511 HydrophobicContact CD1-CD2 3.85Å; I470-L511 HydrophobicContact CD1-CG 4.2Å; V501-L511 HydrophobicContact CB-CD1 4.43Å; V501-L511 HydrophobicContact CG1-CD1 3.85Å; V501-L511 HydrophobicContact CG2-CD1 4.24Å; I507-L511 HydrophobicContact CG2-CD1 3.79Å; I507-L511 HydrophobicContact CG2-CG 4.37Å; I507-L511 WeakPolarHBondContact O-CB 2.99Å; I507-L511 VanDerWaalsContact O-CG 3.31Å; I507-L511 WeakPolarHBondContact O-CG 3.46Å; I507-L511 PolarHBondContact O-N 2.79Å; K508-L511 PolarHBondContact O-N 3.24Å; K509-L511 VanDerWaalsContact C-N 3.3Å; K509-L511 PolarHBondContact O-N 3.36Å; L511-N514 PolarHBondContact O-N 3.02Å; L511-D515 PolarHBondContact O-N 3.37Å; L511-I527 HydrophobicContact CD2-CD1 3.58Å
512A86.7Confident73.7Confident47 Ų4790.1 Ų90.139%0.38848%0.481SS..Hα-helixtrans-70.4-35.9-179.900000113K508 K509 N514 D515 H516K508-A512 WeakPolarHBondContact O-CB 3.39Å; K508-A512 PolarHBondContact O-N 2.84Å; K509-A512 PolarHBondContact O-N 2.96Å; A512-N514 PolarHBondContact O-N 3.32Å; A512-D515 PolarHBondContact O-N 2.88Å; A512-D515 VanDerWaalsContact O-N 3.12Å; A512-H516 PolarHBondContact O-N 3.3Å
513T78.4Confident71.4Confident96 Ų9691.9 Ų91.959%0.58949%0.491SS*.THydrogen-bonded Turntrans-65.8-14.2174.849.80000113.5K509 L510K509-T513 WeakPolarHBondContact O-CG2 3.22Å; K509-T513 PolarHBondContact O-N 3.46Å; K509-T513 PolarHBondContact O-OG1 2.85Å; L510-T513 PolarHBondContact O-OG1 3.23Å
514N65.9Low69.4Low29 Ų2994.7 Ų94.716%0.15550%0.504CS..THydrogen-bonded Turntrans-103-3.2176.3-67.6-41.7000112.9L510 L511 A512 H524 R525 I527L510-N514 PolarHBondContact O-ND2 3.3Å; L511-N514 PolarHBondContact O-N 3.02Å; A512-N514 PolarHBondContact O-N 3.32Å; N514-H524 PolarHBondContact O-CE1 2.86Å; N514-H524 VanDerWaalsContact O-CE1 3.26Å; N514-R525 PolarHBondContact OD1-O 2.83Å; N514-I527 VanDerWaalsContact ND2-CD1 3.35Å; N514-I527 WeakPolarHBondContact ND2-CD1 3.23Å; N514-I527 WeakPolarHBondContact ND2-CG1 3.34Å
515D60.5Low67.8Low110 Ų110103 Ų10359%0.58853%0.533SS*.THydrogen-bonded Turntrans-100-34.6-177.7-158.818.3000111.7L463 L511 A512 D517L463-D515 HydrophobicContact CD2-CB 4.06Å; L463-D515 VanDerWaalsContact CD2-CG 3.47Å; L463-D515 WeakPolarHBondContact CD2-OD1 3.47Å; L511-D515 PolarHBondContact O-N 3.37Å; A512-D515 PolarHBondContact O-N 2.88Å; A512-D515 VanDerWaalsContact O-N 3.12Å; D515-D517 PolarHBondContact O-N 3.37Å
516H49.4Very low67Low146 Ų146101.5 Ų101.568%0.67653%0.53SS*.  trans-78.1111.4166.8-71.8-63.9000108.5A512A512-H516 PolarHBondContact O-N 3.3Å
517D50.7Low66.8Low129 Ų12999.9 Ų99.969%0.6952%0.516SS*.  176.6114.5129.9-82.3-24.3000111.7D515 D519D515-D517 PolarHBondContact O-N 3.37Å; D517-D519 HydrophobicContact CB-CB 3.95Å; D517-D519 PolarHBondContact O-N 3.11Å
518N45.1Very low66.6Low176 Ų176105.2 Ų105.294%0.94154%0.541SS*.  trans-74.123.5156.5-77.3-44.9000110.9
519D43.1Very low66.7Low115 Ų115101.6 Ų101.662%0.61553%0.525SS*.  trans-88.4117.1-176.1-145.10.5000108.6D517 S521D517-D519 HydrophobicContact CB-CB 3.95Å; D517-D519 PolarHBondContact O-N 3.11Å; D519-S521 PolarHBondContact O-N 3.15Å
520M46.2Very low66.8Low188 Ų18898.5 Ų98.593%0.92652%0.516SS*.  trans-66.621.9-172.1-75.6-81.6177.500114.1
521S45.4Very low66.9Low77 Ų7799.1 Ų99.154%0.53852%0.519SS..  trans-92.3111.8170.277.40000109.1D519 N523D519-S521 PolarHBondContact O-N 3.15Å; S521-N523 PolarHBondContact O-N 3.07Å
522D45.3Very low67.1Low168 Ų16898.7 Ų98.790%0.89852%0.517SS*.SBendtrans-556.5178.3-94-29.7000116H524D522-H524 VanDerWaalsContact C-N 3.28Å; D522-H524 PolarHBondContact O-N 2.78Å; D522-H524 VanDerWaalsContact O-N 3.15Å
523N44.3Very low67.5Low143 Ų14397 Ų9777%0.76550%0.501SS*.  trans-91.558.1179.5-72-12.1000110.9S521 R525S521-N523 PolarHBondContact O-N 3.07Å; N523-R525 PolarHBondContact O-N 3.25Å
524H52.8Low68.3Low147 Ų14795.1 Ų95.168%0.68149%0.49SS*.  trans-58.6109.7167.7-147.524.9000107.5N514 D522 S526N514-H524 PolarHBondContact O-CE1 2.86Å; N514-H524 VanDerWaalsContact O-CE1 3.26Å; D522-H524 VanDerWaalsContact C-N 3.28Å; D522-H524 PolarHBondContact O-N 2.78Å; D522-H524 VanDerWaalsContact O-N 3.15Å; H524-S526 PolarHBondContact O-N 3.19Å
525R61Low69.6Low186 Ų18696.7 Ų96.770%0.70250%0.496SS*.  trans-69.696.5-174.8-164.5179.7-172.3-167.2-0.3108.5N514 N523 I527N514-R525 PolarHBondContact OD1-O 2.83Å; N523-R525 PolarHBondContact O-N 3.25Å; R525-I527 PolarHBondContact O-N 2.88Å
526S75.7Confident71.2Confident64 Ų6491.5 Ų91.545%0.44847%0.469SS..  trans-54.2129.9176.7-170.20000109.9H524 H528H524-S526 PolarHBondContact O-N 3.19Å; S526-H528 PolarHBondContact O-CD2 3.41Å; S526-H528 PolarHBondContact O-N 3.29Å
527I89.1Confident73.3Confident5 Ų585.2 Ų85.23%0.02644%0.44CS..  trans-71.4112.5176.9-64177.4000108N466 L510 L511 N514 R525 V532 W571N466-I527 HydrophobicContact CB-CD1 4.11Å; L510-I527 HydrophobicContact CD2-CG2 4.39Å; L511-I527 HydrophobicContact CD2-CD1 3.58Å; N514-I527 VanDerWaalsContact ND2-CD1 3.35Å; N514-I527 WeakPolarHBondContact ND2-CD1 3.23Å; N514-I527 WeakPolarHBondContact ND2-CG1 3.34Å; R525-I527 PolarHBondContact O-N 2.88Å; I527-V532 HydrophobicContact CG2-CG2 3.28Å; I527-W571 HydrophobicContact CG2-CH2 4.43Å; I527-W571 HydrophobicContact CG2-CZ2 4.21Å
528H91.6Very high75.2Confident112 Ų11283.8 Ų83.852%0.51943%0.431SS..  trans-90.8159.7177.1-67.2-75.7000111.5S526 N530 D531S526-H528 PolarHBondContact O-CD2 3.41Å; S526-H528 PolarHBondContact O-N 3.29Å; H528-N530 PolarHBondContact O-N 3.42Å; H528-D531 WeakPolarHBondContact CB-OD2 3.46Å; H528-D531 PolarHBondContact N-OD2 3.24Å; H528-D531 WeakPolarHBondContact O-CB 3.26Å; H528-D531 PolarHBondContact O-N 3.46Å
529F95.2Very high77.4Confident4 Ų475.9 Ų75.92%0.01839%0.39CS..Hα-helixtrans-50.7-41.8174.8172.9-111.2000112.1L473 D531 V532 Y533 Y564 F567 E568 W571L473-F529 HydrophobicContact CD2-CD2 4.06Å; L473-F529 HydrophobicContact CD2-CE2 3.76Å; F529-D531 VanDerWaalsContact C-N 3.25Å; F529-D531 PolarHBondContact O-N 2.65Å; F529-V532 PolarHBondContact O-N 3.17Å; F529-Y533 HydrophobicContact CE1-CG 4.24Å; F529-Y533 AromaticContact CE2-CD2 3.83Å; F529-Y533 HydrophobicContact CE2-CD2 3.83Å; F529-Y533 AromaticContact CE2-CG 3.97Å; F529-Y533 HydrophobicContact CE2-CG 3.97Å; F529-Y533 HydrophobicContact CZ-CD1 4.38Å; F529-Y533 AromaticContact CZ-CD2 3.58Å; F529-Y533 HydrophobicContact CZ-CD2 3.58Å; F529-Y533 HydrophobicContact CZ-CE2 4.33Å; F529-Y533 AromaticContact CZ-CG 3.59Å; F529-Y533 HydrophobicContact CZ-CG 3.59Å; F529-Y533 WeakPolarHBondContact O-CB 3.26Å; F529-Y533 PolarHBondContact O-N 3.41Å; F529-Y564 HydrophobicContact CD1-CE1 4.26Å; F529-Y564 HydrophobicContact CD1-CE2 4.44Å; F529-Y564 HydrophobicContact CE1-CD1 4.01Å; F529-Y564 AromaticContact CE1-CD2 3.87Å; F529-Y564 HydrophobicContact CE1-CD2 3.87Å; F529-Y564 AromaticContact CE1-CE1 3.72Å; F529-Y564 HydrophobicContact CE1-CE1 3.72Å; F529-Y564 AromaticContact CE1-CE2 3.57Å; F529-Y564 HydrophobicContact CE1-CE2 3.57Å; F529-Y564 HydrophobicContact CE1-CG 4.09Å; F529-Y564 AromaticContact CE1-CZ 3.51Å; F529-Y564 HydrophobicContact CZ-CD2 4.23Å; F529-Y564 HydrophobicContact CZ-CE2 4.22Å; F529-F567 HydrophobicContact CE2-CB 3.66Å; F529-F567 HydrophobicContact CZ-CB 3.62Å; F529-E568 HydrophobicContact CB-CG 4.13Å; F529-E568 HydrophobicContact CD1-CB 3.6Å; F529-E568 HydrophobicContact CD1-CG 3.74Å; F529-E568 HydrophobicContact CE1-CB 3.74Å; F529-E568 HydrophobicContact CE1-CG 4.38Å; F529-E568 HydrophobicContact CG-CB 4.04Å; F529-E568 HydrophobicContact CG-CG 4.02Å; F529-E568 HydrophobicContact CZ-CB 4.3Å; F529-W571 HydrophobicContact CB-CB 4.38Å; F529-W571 HydrophobicContact CB-CD2 4.38Å; F529-W571 HydrophobicContact CB-CG 3.9Å; F529-W571 HydrophobicContact CD2-CB 3.77Å; F529-W571 HydrophobicContact CD2-CD2 4.3Å; F529-W571 AromaticContact CD2-CG 3.94Å; F529-W571 HydrophobicContact CD2-CG 3.94Å; F529-W571 HydrophobicContact CG-CB 4.4Å; F529-W571 HydrophobicContact CG-CG 4.36Å
530N94.7Very high79.8Confident85 Ų8570.6 Ų70.646%0.45536%0.361SS..Hα-helixtrans-66.2-26-177.3-61.5-1000113.2H528 V532 P534 Y564H528-N530 PolarHBondContact O-N 3.42Å; N530-V532 VanDerWaalsContact C-N 3.32Å; N530-P534 WeakPolarHBondContact O-CD 3.49Å; N530-P534 WeakPolarHBondContact O-CG 3.33Å; N530-Y564 VanDerWaalsContact CG-OH 3.31Å; N530-Y564 PolarHBondContact OD1-OH 3.1Å
531D93.3Very high81.8Confident46 Ų4664.3 Ų64.325%0.24633%0.33CS..Hα-helixtrans-76.9-24.4176.6-54.9-47.8000111.4L510 H528 F529 H535L510-D531 HydrophobicContact CD1-CB 4.26Å; L510-D531 HydrophobicContact CD2-CB 4.15Å; L510-D531 WeakPolarHBondContact CD2-O 3.36Å; H528-D531 WeakPolarHBondContact CB-OD2 3.46Å; H528-D531 PolarHBondContact N-OD2 3.24Å; H528-D531 WeakPolarHBondContact O-CB 3.26Å; H528-D531 PolarHBondContact O-N 3.46Å; F529-D531 VanDerWaalsContact C-N 3.25Å; F529-D531 PolarHBondContact O-N 2.65Å; D531-H535 PolarHBondContact O-CD2 3.21Å
532V95Very high83.8Confident0 Ų067.2 Ų67.20%033%0.333CS..Hα-helixtrans-105.1-46.1-169.1173.60000112.3I470 L510 I527 F529 N530 H535 I536 W571I470-V532 HydrophobicContact CD1-CG1 4.48Å; I470-V532 HydrophobicContact CG1-CG1 3.74Å; I470-V532 HydrophobicContact CG1-CG2 4.38Å; L510-V532 HydrophobicContact CD2-CG2 3.81Å; I527-V532 HydrophobicContact CG2-CG2 3.28Å; F529-V532 PolarHBondContact O-N 3.17Å; N530-V532 VanDerWaalsContact C-N 3.32Å; V532-H535 WeakPolarHBondContact O-CB 3.4Å; V532-H535 PolarHBondContact O-N 3.35Å; V532-I536 HydrophobicContact CG1-CD1 3.58Å; V532-I536 HydrophobicContact CG1-CG1 3.99Å; V532-I536 PolarHBondContact O-N 3.19Å; V532-W571 HydrophobicContact CB-CH2 4.22Å; V532-W571 HydrophobicContact CB-CZ3 4.34Å; V532-W571 HydrophobicContact CG1-CH2 4.16Å; V532-W571 HydrophobicContact CG1-CZ3 3.94Å; V532-W571 HydrophobicContact CG2-CH2 3.81Å; V532-W571 HydrophobicContact CG2-CZ2 4.31Å; V532-W571 HydrophobicContact CG2-CZ3 4.4Å
533Y95.6Very high85.8Confident11 Ų1161.1 Ų61.14%0.04330%0.297CS..Hα-helixtrans-54.9-48.2-171.5170.5-94.9000113.1I477 F529 H535 I536 I537 F560 Y564 F567I477-Y533 HydrophobicContact CD1-CD2 4.18Å; I477-Y533 HydrophobicContact CD1-CE2 4.08Å; F529-Y533 HydrophobicContact CE1-CG 4.24Å; F529-Y533 AromaticContact CE2-CD2 3.83Å; F529-Y533 HydrophobicContact CE2-CD2 3.83Å; F529-Y533 AromaticContact CE2-CG 3.97Å; F529-Y533 HydrophobicContact CE2-CG 3.97Å; F529-Y533 HydrophobicContact CZ-CD1 4.38Å; F529-Y533 AromaticContact CZ-CD2 3.58Å; F529-Y533 HydrophobicContact CZ-CD2 3.58Å; F529-Y533 HydrophobicContact CZ-CE2 4.33Å; F529-Y533 AromaticContact CZ-CG 3.59Å; F529-Y533 HydrophobicContact CZ-CG 3.59Å; F529-Y533 WeakPolarHBondContact O-CB 3.26Å; F529-Y533 PolarHBondContact O-N 3.41Å; Y533-H535 VanDerWaalsContact C-N 3.26Å; Y533-H535 PolarHBondContact O-N 3.31Å; Y533-I536 PolarHBondContact O-N 3.44Å; Y533-I536 VanDerWaalsContact O-N 3.12Å; Y533-I537 HydrophobicContact CD1-CG1 4.29Å; Y533-I537 HydrophobicContact CD2-CG1 4.33Å; Y533-I537 HydrophobicContact CE1-CG1 3.83Å; Y533-I537 HydrophobicContact CE2-CD1 3.91Å; Y533-I537 HydrophobicContact CE2-CG1 3.87Å; Y533-I537 WeakPolarHBondContact O-CG1 3.4Å; Y533-I537 PolarHBondContact O-N 3.41Å; Y533-F560 VanDerWaalsContact OH-C 3.32Å; Y533-F560 PolarHBondContact OH-O 3.47Å; Y533-Y564 AromaticContact CD1-CD2 3.76Å; Y533-Y564 HydrophobicContact CD1-CD2 3.76Å; Y533-Y564 AromaticContact CD1-CE2 3.54Å; Y533-Y564 HydrophobicContact CD1-CE2 3.54Å; Y533-Y564 AromaticContact CE1-CD2 3.52Å; Y533-Y564 HydrophobicContact CE1-CD2 3.52Å; Y533-Y564 AromaticContact CE1-CE2 3.76Å; Y533-Y564 HydrophobicContact CE1-CE2 3.76Å; Y533-Y564 HydrophobicContact CG-CD2 4.42Å; Y533-Y564 HydrophobicContact CG-CE2 4.24Å; Y533-F567 HydrophobicContact CD2-CD2 4.19Å; Y533-F567 AromaticContact CE2-CD2 3.52Å; Y533-F567 HydrophobicContact CE2-CD2 3.52Å; Y533-F567 AromaticContact CE2-CE2 3.96Å; Y533-F567 HydrophobicContact CE2-CE2 3.96Å
534P93.9Very high87.8Confident57 Ų5754.9 Ų54.937%0.3726%0.264SS..Hα-helixtrans-58.7-38177.8-23.935.2000112.6N530 I537 I538N530-P534 WeakPolarHBondContact O-CD 3.49Å; N530-P534 WeakPolarHBondContact O-CG 3.33Å; P534-I537 PolarHBondContact O-N 3.04Å; P534-I538 VanDerWaalsContact O-CG1 3.26Å; P534-I538 WeakPolarHBondContact O-CG1 3.45Å; P534-I538 PolarHBondContact O-N 3.21Å
535H94.1Very high89.2Confident61 Ų6151.5 Ų51.528%0.28225%0.254SS..Hα-helixtrans-70.3-34.2178.3-65-42.6000113A506 I507 D531 V532 Y533 C539A506-H535 HydrophobicContact CB-CB 4.3Å; I507-H535 HydrophobicContact CD1-CB 4.42Å; I507-H535 HydrophobicContact CG1-CB 3.87Å; D531-H535 PolarHBondContact O-CD2 3.21Å; V532-H535 WeakPolarHBondContact O-CB 3.4Å; V532-H535 PolarHBondContact O-N 3.35Å; Y533-H535 VanDerWaalsContact C-N 3.26Å; Y533-H535 PolarHBondContact O-N 3.31Å; H535-C539 WeakPolarHBondContact O-CB 3.3Å; H535-C539 PolarHBondContact O-N 3.1Å
536I94.5Very high90.4Very high1 Ų145.6 Ų45.61%0.00524%0.236CC..Hα-helixtrans-64.9-43.6171.8-67.2176.4000110.2I470 L473 A474 I477 I507 V532 Y533 C539 W540I470-I536 HydrophobicContact CG2-CD1 4.26Å; L473-I536 HydrophobicContact CB-CD1 4.17Å; L473-I536 HydrophobicContact CD2-CD1 3.8Å; L473-I536 HydrophobicContact CG-CD1 3.95Å; A474-I536 HydrophobicContact CB-CD1 4.24Å; A474-I536 HydrophobicContact CB-CG1 4.49Å; A474-I536 HydrophobicContact CB-CG2 3.96Å; I477-I536 HydrophobicContact CD1-CG2 3.72Å; I507-I536 HydrophobicContact CD1-CG1 3.86Å; V532-I536 HydrophobicContact CG1-CD1 3.58Å; V532-I536 HydrophobicContact CG1-CG1 3.99Å; V532-I536 PolarHBondContact O-N 3.19Å; Y533-I536 PolarHBondContact O-N 3.44Å; Y533-I536 VanDerWaalsContact O-N 3.12Å; I536-C539 WeakPolarHBondContact O-CB 3.07Å; I536-C539 PolarHBondContact O-N 2.88Å; I536-W540 PolarHBondContact O-N 3.48Å
537I93.3Very high91Very high14 Ų1442.5 Ų42.57%0.07222%0.215CC..Hα-helixtrans-61.1-52.1177.6-67-60.7000111.1I477 Y533 P534 C539 W540 Q541 L558 F560I477-I537 HydrophobicContact CD1-CD1 4.36Å; I477-I537 HydrophobicContact CG2-CD1 4.34Å; Y533-I537 HydrophobicContact CD1-CG1 4.29Å; Y533-I537 HydrophobicContact CD2-CG1 4.33Å; Y533-I537 HydrophobicContact CE1-CG1 3.83Å; Y533-I537 HydrophobicContact CE2-CD1 3.91Å; Y533-I537 HydrophobicContact CE2-CG1 3.87Å; Y533-I537 WeakPolarHBondContact O-CG1 3.4Å; Y533-I537 PolarHBondContact O-N 3.41Å; P534-I537 PolarHBondContact O-N 3.04Å; I537-C539 PolarHBondContact O-N 2.93Å; I537-W540 PolarHBondContact O-N 3.41Å; I537-W540 VanDerWaalsContact O-N 3.1Å; I537-Q541 HydrophobicContact CG2-CG 4.29Å; I537-Q541 VanDerWaalsContact O-CG 3.31Å; I537-Q541 WeakPolarHBondContact O-CG 3.27Å; I537-Q541 PolarHBondContact O-N 3.1Å; I537-L558 WeakPolarHBondContact CG2-O 3.41Å; I537-F560 HydrophobicContact CD1-CD2 3.94Å
538I90.8Very high90.7Very high99 Ų9943 Ų4351%0.50822%0.217SC..Hα-helixtrans-57.4-40.8177.1-68.4164.4000110.9P534 W540 Q541 K542P534-I538 VanDerWaalsContact O-CG1 3.26Å; P534-I538 WeakPolarHBondContact O-CG1 3.45Å; P534-I538 PolarHBondContact O-N 3.21Å; I538-W540 PolarHBondContact O-N 3.22Å; I538-Q541 PolarHBondContact O-N 3.01Å; I538-K542 PolarHBondContact O-N 3.38Å; I538-K542 VanDerWaalsContact O-N 3.12Å
539C91.5Very high90.1Very high10 Ų1040.4 Ų40.47%0.06821%0.211CC..Hα-helixtrans-61-45.6177.1-172.70000111.8F498 C504 H535 I536 I537 K542 Y543F498-C539 VanDerWaalsContact CE1-SG 3.54Å; F498-C539 WeakPolarHBondContact CZ-SG 3.43Å; C504-C539 HydrophobicContact CB-CB 4.22Å; H535-C539 WeakPolarHBondContact O-CB 3.3Å; H535-C539 PolarHBondContact O-N 3.1Å; I536-C539 WeakPolarHBondContact O-CB 3.07Å; I536-C539 PolarHBondContact O-N 2.88Å; I537-C539 PolarHBondContact O-N 2.93Å; C539-K542 WeakPolarHBondContact O-CB 3.49Å; C539-K542 PolarHBondContact O-N 3.29Å; C539-Y543 WeakPolarHBondContact O-CD2 3.41Å
540W91.6Very high88.6Confident4 Ų445 Ų452%0.01524%0.243CC..Hα-helixtrans-71.3-34.4177.6-75.2128.9000113.1A474 L478 I481 Y495 F498 I536 I537 I538 K542 Y543 L544 I547 L558A474-W540 HydrophobicContact CB-CZ2 4.5Å; A474-W540 PolarHBondContact O-NE1 3Å; L478-W540 HydrophobicContact CB-CH2 4.06Å; L478-W540 HydrophobicContact CB-CZ2 3.67Å; L478-W540 HydrophobicContact CD1-CE3 4.28Å; L478-W540 HydrophobicContact CD1-CH2 3.91Å; L478-W540 HydrophobicContact CD1-CZ2 4.33Å; L478-W540 HydrophobicContact CD1-CZ3 3.88Å; L478-W540 HydrophobicContact CD2-CH2 3.78Å; L478-W540 HydrophobicContact CD2-CZ2 4.16Å; L478-W540 HydrophobicContact CD2-CZ3 4.49Å; L478-W540 HydrophobicContact CG-CH2 4.12Å; L478-W540 HydrophobicContact CG-CZ2 4.26Å; I481-W540 HydrophobicContact CD1-CB 3.86Å; I481-W540 HydrophobicContact CD1-CD2 4.34Å; I481-W540 HydrophobicContact CD1-CG 3.95Å; Y495-W540 HydrophobicContact CD1-CZ3 4.27Å; F498-W540 HydrophobicContact CB-CH2 3.9Å; F498-W540 AromaticContact CD1-CH2 3.65Å; F498-W540 HydrophobicContact CD1-CH2 3.65Å; F498-W540 AromaticContact CD1-CZ2 3.99Å; F498-W540 HydrophobicContact CD1-CZ2 3.99Å; F498-W540 HydrophobicContact CD1-CZ3 4.24Å; F498-W540 HydrophobicContact CE1-CH2 4.49Å; F498-W540 AromaticContact CG-CH2 3.97Å; F498-W540 HydrophobicContact CG-CH2 3.97Å; F498-W540 HydrophobicContact CG-CZ3 4.39Å; I536-W540 PolarHBondContact O-N 3.48Å; I537-W540 PolarHBondContact O-N 3.41Å; I537-W540 VanDerWaalsContact O-N 3.1Å; I538-W540 PolarHBondContact O-N 3.22Å; W540-K542 VanDerWaalsContact C-N 3.27Å; W540-K542 PolarHBondContact O-N 3.23Å; W540-Y543 CarbonylContact O-C 3.59Å; W540-Y543 PolarHBondContact O-N 3.05Å; W540-Y543 VanDerWaalsContact O-N 3.14Å; W540-L544 PolarHBondContact O-N 3.11Å; W540-I547 HydrophobicContact CE3-CD1 3.88Å; W540-I547 HydrophobicContact CZ3-CD1 3.93Å; W540-L558 HydrophobicContact CB-CD2 3.69Å
541Q88.9Confident86.9Confident57 Ų5745.9 Ų45.927%0.26626%0.256SS..Hα-helixtrans-56.3-42.2172.9-73.9172.8-14.800111.6I537 I538 Y543 L544 L558I537-Q541 HydrophobicContact CG2-CG 4.29Å; I537-Q541 VanDerWaalsContact O-CG 3.31Å; I537-Q541 WeakPolarHBondContact O-CG 3.27Å; I537-Q541 PolarHBondContact O-N 3.1Å; I538-Q541 PolarHBondContact O-N 3.01Å; Q541-Y543 VanDerWaalsContact C-N 3.3Å; Q541-Y543 PolarHBondContact O-N 3.36Å; Q541-L544 WeakPolarHBondContact O-CB 3.47Å; Q541-L544 PolarHBondContact O-N 3.2Å; Q541-L558 HydrophobicContact CG-CB 3.52Å; Q541-L558 HydrophobicContact CG-CD2 4.49Å; Q541-L558 PolarHBondContact NE2-O 2.86Å
542K87.6Confident85.1Confident138 Ų13850.3 Ų50.360%0.628%0.275SS*.Hα-helixtrans-57.7-40.9176.8-179.1-177.9175.9-177.50112.7I538 C539 W540I538-K542 PolarHBondContact O-N 3.38Å; I538-K542 VanDerWaalsContact O-N 3.12Å; C539-K542 WeakPolarHBondContact O-CB 3.49Å; C539-K542 PolarHBondContact O-N 3.29Å; W540-K542 VanDerWaalsContact C-N 3.27Å; W540-K542 PolarHBondContact O-N 3.23Å
543Y88Confident83.4Confident40 Ų4053.3 Ų53.316%0.15729%0.291CS..Hα-helixtrans-93.7-0-177.3-64-64.3000113.6Y495 F498 C539 W540 Q541 T545 D546 I547Y495-Y543 HydrophobicContact CD1-CD1 4.43Å; Y495-Y543 HydrophobicContact CD1-CG 4.2Å; Y495-Y543 AromaticContact CE1-CD1 3.44Å; Y495-Y543 HydrophobicContact CE1-CD1 3.44Å; Y495-Y543 VanDerWaalsContact CE1-CD1 3.44Å; Y495-Y543 HydrophobicContact CE1-CD2 4.41Å; Y495-Y543 HydrophobicContact CE1-CE1 4.12Å; Y495-Y543 AromaticContact CE1-CG 3.59Å; Y495-Y543 HydrophobicContact CE1-CG 3.59Å; F498-Y543 HydrophobicContact CD2-CE2 4.3Å; F498-Y543 HydrophobicContact CE2-CD2 4.08Å; F498-Y543 AromaticContact CE2-CE2 3.38Å; F498-Y543 HydrophobicContact CE2-CE2 3.38Å; F498-Y543 AromaticContact CE2-CZ 3.85Å; F498-Y543 HydrophobicContact CZ-CD2 4.27Å; F498-Y543 AromaticContact CZ-CE2 3.65Å; F498-Y543 HydrophobicContact CZ-CE2 3.65Å; C539-Y543 WeakPolarHBondContact O-CD2 3.41Å; W540-Y543 CarbonylContact O-C 3.59Å; W540-Y543 PolarHBondContact O-N 3.05Å; W540-Y543 VanDerWaalsContact O-N 3.14Å; Q541-Y543 VanDerWaalsContact C-N 3.3Å; Q541-Y543 PolarHBondContact O-N 3.36Å; Y543-T545 VanDerWaalsContact C-N 3.26Å; Y543-T545 PolarHBondContact O-N 3.24Å; Y543-D546 PolarHBondContact O-N 3.31Å; Y543-D546 VanDerWaalsContact O-N 3.08Å; Y543-I547 VanDerWaalsContact O-CG1 3.3Å; Y543-I547 WeakPolarHBondContact O-CG1 3.35Å; Y543-I547 PolarHBondContact O-N 2.94Å
544L86.3Confident81.4Confident11 Ų1158.1 Ų58.16%0.05832%0.322CS..Hα-helixtrans-62.5-36.6-175.5-167.765.4000111.9I481 W540 Q541 D546 I547 L548 L553 L558I481-L544 HydrophobicContact CG2-CD1 3.97Å; W540-L544 PolarHBondContact O-N 3.11Å; Q541-L544 WeakPolarHBondContact O-CB 3.47Å; Q541-L544 PolarHBondContact O-N 3.2Å; L544-D546 VanDerWaalsContact C-N 3.29Å; L544-D546 PolarHBondContact O-N 3.44Å; L544-I547 PolarHBondContact O-N 3.41Å; L544-L548 HydrophobicContact CD1-CD1 3.63Å; L544-L548 HydrophobicContact CD1-CG 3.96Å; L544-L548 HydrophobicContact CD2-CD1 4.38Å; L544-L548 HydrophobicContact CG-CD1 3.76Å; L544-L548 HydrophobicContact CG-CG 4.23Å; L544-L548 WeakPolarHBondContact O-CB 3.5Å; L544-L548 WeakPolarHBondContact O-CG 3.12Å; L544-L548 PolarHBondContact O-N 2.92Å; L544-L553 HydrophobicContact CB-CD2 4.39Å; L544-L553 HydrophobicContact CD2-CD2 3.86Å; L544-L553 HydrophobicContact CG-CD2 4.03Å; L544-L558 HydrophobicContact CD1-CD1 4.47Å
545T82.1Confident79.4Confident77 Ų7762.2 Ų62.247%0.47235%0.346SS..Hα-helixtrans-67.3-27.3176.752.40000113.5Y543 L553Y543-T545 VanDerWaalsContact C-N 3.26Å; Y543-T545 PolarHBondContact O-N 3.24Å; T545-L553 HydrophobicContact CG2-CD1 4.02Å; T545-L553 HydrophobicContact CG2-CD2 3.9Å
546D86.3Confident77.6Confident61 Ų6162.6 Ų62.633%0.32636%0.355SS..Hα-helixtrans-82.4-35.8175.1-61.9-29.4000111.5S489 I491 Y495 Y543 L544S489-D546 WeakPolarHBondContact CB-O 3.42Å; S489-D546 PolarHBondContact OG-O 3.15Å; S489-D546 VanDerWaalsContact OG-O 3.13Å; I491-D546 HydrophobicContact CD1-CB 4.24Å; Y495-D546 HydrophobicContact CE2-CB 3.83Å; Y495-D546 WeakPolarHBondContact OH-CB 3.47Å; Y495-D546 PolarHBondContact OH-OD2 2.92Å; Y543-D546 PolarHBondContact O-N 3.31Å; Y543-D546 VanDerWaalsContact O-N 3.08Å; L544-D546 VanDerWaalsContact C-N 3.29Å; L544-D546 PolarHBondContact O-N 3.44Å
547I87.2Confident76.1Confident0 Ų068.4 Ų68.40%039%0.387CS..Hα-helixtrans-73.9-36.5-179.1-67.6166.3000110.9L478 I481 L482 S489 F492 Y495 W540 Y543 L544L478-I547 HydrophobicContact CD1-CD1 4.1Å; I481-I547 HydrophobicContact CG2-CG2 4.31Å; L482-I547 HydrophobicContact CD2-CG2 4.08Å; S489-I547 WeakPolarHBondContact CB-O 3.47Å; S489-I547 PolarHBondContact N-O 3.27Å; F492-I547 HydrophobicContact CB-CG2 4.33Å; Y495-I547 HydrophobicContact CD1-CD1 4.41Å; Y495-I547 HydrophobicContact CD1-CG1 4.44Å; Y495-I547 HydrophobicContact CD2-CD1 4.31Å; Y495-I547 HydrophobicContact CD2-CG1 3.58Å; Y495-I547 HydrophobicContact CE2-CG1 3.94Å; Y495-I547 HydrophobicContact CG-CD1 4.09Å; Y495-I547 HydrophobicContact CG-CG1 3.87Å; W540-I547 HydrophobicContact CE3-CD1 3.88Å; W540-I547 HydrophobicContact CZ3-CD1 3.93Å; Y543-I547 VanDerWaalsContact O-CG1 3.3Å; Y543-I547 WeakPolarHBondContact O-CG1 3.35Å; Y543-I547 PolarHBondContact O-N 2.94Å; L544-I547 PolarHBondContact O-N 3.41Å
548L84.2Confident75Confident15 Ų1567.9 Ų67.98%0.07938%0.384CS..BIsolated β-bridgetrans-105147.8-177.8-55.9-175.2000111.7Y485 N487 L488 L544 S550Y485-L548 HydrophobicContact CD1-CD1 3.92Å; Y485-L548 HydrophobicContact CD2-CD1 4.29Å; Y485-L548 HydrophobicContact CD2-CD2 4.39Å; Y485-L548 HydrophobicContact CE1-CD1 4.27Å; Y485-L548 HydrophobicContact CG-CD1 3.94Å; Y485-L548 HydrophobicContact CG-CD2 3.95Å; N487-L548 WeakPolarHBondContact O-CA 3.18Å; L488-L548 HydrophobicContact CD2-CD2 4.13Å; L544-L548 HydrophobicContact CD1-CD1 3.63Å; L544-L548 HydrophobicContact CD1-CG 3.96Å; L544-L548 HydrophobicContact CD2-CD1 4.38Å; L544-L548 HydrophobicContact CG-CD1 3.76Å; L544-L548 HydrophobicContact CG-CG 4.23Å; L544-L548 WeakPolarHBondContact O-CB 3.5Å; L544-L548 WeakPolarHBondContact O-CG 3.12Å; L544-L548 PolarHBondContact O-N 2.92Å; L548-S550 PolarHBondContact O-N 3.45Å
549C78.4Confident74Confident57 Ų5766.4 Ų66.439%0.38538%0.382SS..  trans-65.5123.2170-70.30000110.2N487 S551N487-C549 HydrophobicContact CB-CB 4.48Å; N487-C549 PolarHBondContact O-N 3.32Å; C549-S551 PolarHBondContact O-N 3.41Å
550S64.2Low73.5Confident100 Ų10066.1 Ų66.170%0.69938%0.38SS*.G310 helixtrans-55.7-19.5-164.561.50000117L548 Q552L548-S550 PolarHBondContact O-N 3.45Å; S550-Q552 PolarHBondContact O-N 3.04Å
551S58.6Low73Confident105 Ų10571.3 Ų71.373%0.73441%0.407SS*.G310 helixtrans-720.3-169590000115.8C549C549-S551 PolarHBondContact O-N 3.41Å
552Q54.5Low72.8Confident138 Ų13873.6 Ų73.665%0.64542%0.418SS*.G310 helixtrans-137.112.2-176.2-71.1-169.1-10.400115.9N487 S550 T554N487-Q552 PolarHBondContact ND2-OE1 2.86Å; S550-Q552 PolarHBondContact O-N 3.04Å; Q552-T554 VanDerWaalsContact C-N 3.29Å; Q552-T554 PolarHBondContact O-N 3.01Å
553L59.2Low72.7Confident64 Ų6467.8 Ų67.834%0.33539%0.392SS..  trans-70.689.9171.3-76.9109.1000109.9L544 T545L544-L553 HydrophobicContact CB-CD2 4.39Å; L544-L553 HydrophobicContact CD2-CD2 3.86Å; L544-L553 HydrophobicContact CG-CD2 4.03Å; T545-L553 HydrophobicContact CG2-CD1 4.02Å; T545-L553 HydrophobicContact CG2-CD2 3.9Å
554T54.1Low72.8Confident111 Ų11168.5 Ų68.568%0.68140%0.395SS*.  trans-65.7133.9147.7570000105.3Q552 S556Q552-T554 VanDerWaalsContact C-N 3.29Å; Q552-T554 PolarHBondContact O-N 3.01Å; T554-S556 PolarHBondContact O-N 3.17Å
555T52.4Low72.9Confident143 Ų14373.4 Ų73.488%0.87742%0.421SS*.  trans-65.147.9177.450.40000112.1D557T555-D557 PolarHBondContact O-N 3.41Å
556S57Low73.2Confident69 Ų6970.9 Ų70.948%0.48340%0.403SS..  trans-73113161.4570000106.4T554 L558T554-S556 PolarHBondContact O-N 3.17Å; S556-L558 PolarHBondContact O-N 2.91Å
557D61.1Low73.5Confident123 Ų12368 Ų6866%0.65839%0.387SS*.  trans-48.5125.9169.1-68.1-41.5000107.6T555 C559T555-D557 PolarHBondContact O-N 3.41Å; D557-C559 WeakPolarHBondContact O-CB 3.43Å; D557-C559 PolarHBondContact O-N 3.21Å
558L70.9Confident73.8Confident3 Ų371.2 Ų71.22%0.01640%0.403CS..  trans-53.5105.2172.4-176.474.5000107.5I481 Y485 I537 W540 Q541 L544 S556 F560I481-L558 HydrophobicContact CD1-CD1 4.36Å; I481-L558 HydrophobicContact CD1-CD2 3.71Å; I481-L558 HydrophobicContact CG1-CD1 4.02Å; I481-L558 HydrophobicContact CG1-CD2 4.22Å; Y485-L558 HydrophobicContact CE2-CD1 4.24Å; I537-L558 WeakPolarHBondContact CG2-O 3.41Å; W540-L558 HydrophobicContact CB-CD2 3.69Å; Q541-L558 HydrophobicContact CG-CB 3.52Å; Q541-L558 HydrophobicContact CG-CD2 4.49Å; Q541-L558 PolarHBondContact NE2-O 2.86Å; L544-L558 HydrophobicContact CD1-CD1 4.47Å; S556-L558 PolarHBondContact O-N 2.91Å; L558-F560 HydrophobicContact CD1-CD2 4.33Å; L558-F560 HydrophobicContact CD1-CE2 3.53Å; L558-F560 HydrophobicContact CD1-CZ 3.8Å; L558-F560 HydrophobicContact CD2-CD2 4.42Å; L558-F560 HydrophobicContact CD2-CE2 3.89Å; L558-F560 HydrophobicContact CG-CD2 4.06Å; L558-F560 HydrophobicContact CG-CE2 3.64Å; L558-F560 HydrophobicContact CG-CZ 4.4Å
559C69.5Low74.2Confident69 Ų6973.6 Ų73.647%0.46641%0.413SS..  trans-132.386.7-165.1177.70000108.8D557 L561D557-C559 WeakPolarHBondContact O-CB 3.43Å; D557-C559 PolarHBondContact O-N 3.21Å; C559-L561 PolarHBondContact O-N 3.48Å; C559-L561 WeakPolarHBondContact SG-CD1 3.44Å; C559-L561 WeakPolarHBondContact SG-CG 3.45Å
560F80.5Confident74.8Confident4 Ų471 Ų712%0.01840%0.396CS..  trans-86.137.1173.2-63.5-68.3000111.5I477 L480 I481 Y533 I537 L558 E562 Y563 Y564 F567I477-F560 HydrophobicContact CG2-CD2 3.89Å; I477-F560 HydrophobicContact CG2-CE2 3.72Å; L480-F560 HydrophobicContact CB-CE1 4.14Å; L480-F560 HydrophobicContact CB-CZ 4.15Å; I481-F560 HydrophobicContact CD1-CE2 4.42Å; I481-F560 HydrophobicContact CG1-CE2 3.73Å; I481-F560 HydrophobicContact CG1-CZ 3.68Å; Y533-F560 VanDerWaalsContact OH-C 3.32Å; Y533-F560 PolarHBondContact OH-O 3.47Å; I537-F560 HydrophobicContact CD1-CD2 3.94Å; L558-F560 HydrophobicContact CD1-CD2 4.33Å; L558-F560 HydrophobicContact CD1-CE2 3.53Å; L558-F560 HydrophobicContact CD1-CZ 3.8Å; L558-F560 HydrophobicContact CD2-CD2 4.42Å; L558-F560 HydrophobicContact CD2-CE2 3.89Å; L558-F560 HydrophobicContact CG-CD2 4.06Å; L558-F560 HydrophobicContact CG-CE2 3.64Å; L558-F560 HydrophobicContact CG-CZ 4.4Å; F560-E562 PolarHBondContact O-N 2.97Å; F560-Y563 HydrophobicContact CB-CD2 4.07Å; F560-Y563 AromaticContact CD1-CD2 3.8Å; F560-Y563 HydrophobicContact CD1-CD2 3.8Å; F560-Y563 AromaticContact CD1-CE2 3.93Å; F560-Y563 HydrophobicContact CD1-CE2 3.93Å; F560-Y563 HydrophobicContact CG-CD2 4.35Å; F560-Y563 PolarHBondContact O-N 3.06Å; F560-Y564 PolarHBondContact O-N 3.19Å; F560-F567 HydrophobicContact CB-CE2 3.76Å; F560-F567 HydrophobicContact CB-CZ 4.33Å
561L83.2Confident76.3Confident112 Ų11266.4 Ų66.459%0.58636%0.363SS*.G310 helixtrans-62-31.9-180-77.4177.8000112C559 Y563 Y564C559-L561 PolarHBondContact O-N 3.48Å; C559-L561 WeakPolarHBondContact SG-CD1 3.44Å; C559-L561 WeakPolarHBondContact SG-CG 3.45Å; L561-Y563 PolarHBondContact O-N 3.3Å; L561-Y564 HydrophobicContact CD2-CD2 4.27Å; L561-Y564 VanDerWaalsContact O-CB 3.24Å; L561-Y564 WeakPolarHBondContact O-CB 3.47Å; L561-Y564 PolarHBondContact O-N 2.87Å
562E82.7Confident78Confident106 Ų10663.1 Ų63.150%0.49534%0.337SS..G310 helixtrans-57.6-18.8172.456.4-173.4-172.200113.5R484 F560R484-E562 IonicContact CZ-OE1 3.62Å; R484-E562 IonicContact NH1-OE1 2.77Å; R484-E562 PolarHBondContact NH1-OE1 3.05Å; R484-E562 IonicContact NH2-OE1 2.77Å; F560-E562 PolarHBondContact O-N 2.97Å
563Y85.9Confident79.9Confident15 Ų1556.6 Ų56.66%0.05931%0.307CS..G310 helixtrans-114.58-179.3-50.2-39.9000113I35 S40 I42 L480 F560 L561 D565 Y566 F567I35-Y563 HydrophobicContact CD1-CE2 3.77Å; S40-Y563 PolarHBondContact O-OH 3.06Å; I42-Y563 HydrophobicContact CB-CD1 4.47Å; I42-Y563 HydrophobicContact CB-CE1 4.3Å; I42-Y563 HydrophobicContact CD1-CD1 3.03Å; I42-Y563 HydrophobicContact CD1-CD2 3.87Å; I42-Y563 HydrophobicContact CD1-CE1 3.46Å; I42-Y563 VanDerWaalsContact CD1-CE1 3.46Å; I42-Y563 HydrophobicContact CD1-CE2 4.21Å; I42-Y563 HydrophobicContact CD1-CG 3.26Å; I42-Y563 HydrophobicContact CG1-CD1 3.57Å; I42-Y563 HydrophobicContact CG1-CE1 3.4Å; I42-Y563 VanDerWaalsContact CG1-CE1 3.4Å; I42-Y563 HydrophobicContact CG1-CE2 4.43Å; I42-Y563 HydrophobicContact CG1-CG 4.17Å; L480-Y563 HydrophobicContact CD1-CD2 4.16Å; F560-Y563 HydrophobicContact CB-CD2 4.07Å; F560-Y563 AromaticContact CD1-CD2 3.8Å; F560-Y563 HydrophobicContact CD1-CD2 3.8Å; F560-Y563 AromaticContact CD1-CE2 3.93Å; F560-Y563 HydrophobicContact CD1-CE2 3.93Å; F560-Y563 HydrophobicContact CG-CD2 4.35Å; F560-Y563 PolarHBondContact O-N 3.06Å; L561-Y563 PolarHBondContact O-N 3.3Å; Y563-D565 PolarHBondContact O-N 3Å; Y563-Y566 WeakPolarHBondContact O-CB 3.27Å; Y563-Y566 PolarHBondContact O-N 3.31Å; Y563-Y566 VanDerWaalsContact O-N 3.16Å; Y563-F567 HydrophobicContact CD2-CZ 4.16Å; Y563-F567 HydrophobicContact CG-CZ 4.3Å; Y563-F567 VanDerWaalsContact O-CD2 3.27Å; Y563-F567 WeakPolarHBondContact O-CD2 3.36Å; Y563-F567 VanDerWaalsContact O-CG 3.31Å; Y563-F567 WeakPolarHBondContact O-CG 3.17Å; Y563-F567 PolarHBondContact O-N 2.61Å
564Y89.7Confident81.7Confident56 Ų5653.6 Ų53.622%0.2229%0.291CS..Hα-helixtrans-56.6-54.4-174.6-172.9-91.2000112.4F529 N530 Y533 F560 L561 Y566 F567 E568F529-Y564 HydrophobicContact CD1-CE1 4.26Å; F529-Y564 HydrophobicContact CD1-CE2 4.44Å; F529-Y564 HydrophobicContact CE1-CD1 4.01Å; F529-Y564 AromaticContact CE1-CD2 3.87Å; F529-Y564 HydrophobicContact CE1-CD2 3.87Å; F529-Y564 AromaticContact CE1-CE1 3.72Å; F529-Y564 HydrophobicContact CE1-CE1 3.72Å; F529-Y564 AromaticContact CE1-CE2 3.57Å; F529-Y564 HydrophobicContact CE1-CE2 3.57Å; F529-Y564 HydrophobicContact CE1-CG 4.09Å; F529-Y564 AromaticContact CE1-CZ 3.51Å; F529-Y564 HydrophobicContact CZ-CD2 4.23Å; F529-Y564 HydrophobicContact CZ-CE2 4.22Å; N530-Y564 VanDerWaalsContact CG-OH 3.31Å; N530-Y564 PolarHBondContact OD1-OH 3.1Å; Y533-Y564 AromaticContact CD1-CD2 3.76Å; Y533-Y564 HydrophobicContact CD1-CD2 3.76Å; Y533-Y564 AromaticContact CD1-CE2 3.54Å; Y533-Y564 HydrophobicContact CD1-CE2 3.54Å; Y533-Y564 AromaticContact CE1-CD2 3.52Å; Y533-Y564 HydrophobicContact CE1-CD2 3.52Å; Y533-Y564 AromaticContact CE1-CE2 3.76Å; Y533-Y564 HydrophobicContact CE1-CE2 3.76Å; Y533-Y564 HydrophobicContact CG-CD2 4.42Å; Y533-Y564 HydrophobicContact CG-CE2 4.24Å; F560-Y564 PolarHBondContact O-N 3.19Å; L561-Y564 HydrophobicContact CD2-CD2 4.27Å; L561-Y564 VanDerWaalsContact O-CB 3.24Å; L561-Y564 WeakPolarHBondContact O-CB 3.47Å; L561-Y564 PolarHBondContact O-N 2.87Å; Y564-Y566 PolarHBondContact O-N 3.38Å; Y564-F567 PolarHBondContact O-N 2.77Å; Y564-F567 VanDerWaalsContact O-N 3.15Å; Y564-E568 PolarHBondContact O-N 2.9Å
565D89.8Confident83.7Confident114 Ų11449.2 Ų49.261%0.6126%0.264SS*.Hα-helixtrans-61.8-31.8179.7-61.2-15.8000112.1Y563 Q569Y563-D565 PolarHBondContact O-N 3Å; D565-Q569 WeakPolarHBondContact O-CG 3.46Å; D565-Q569 PolarHBondContact O-N 3.45Å; D565-Q569 VanDerWaalsContact O-N 3.08Å; D565-Q569 PolarHBondContact O-NE2 3.24Å
566Y88.4Confident85.8Confident23 Ų2342.4 Ų42.49%0.0922%0.223CC..Hα-helixtrans-71.7-44177.3-173.8-113000111.6L32 C33 I42 I44 S45 I48 Y563 Y564 E568 Q569 I570L32-Y566 PolarHBondContact O-OH 3.33Å; C33-Y566 HydrophobicContact CB-CE1 4.11Å; I42-Y566 HydrophobicContact CD1-CD1 3.85Å; I42-Y566 HydrophobicContact CD1-CE1 4.33Å; I42-Y566 HydrophobicContact CD1-CG 4.49Å; I42-Y566 HydrophobicContact CG2-CD1 4.24Å; I42-Y566 HydrophobicContact CG2-CE1 3.94Å; I44-Y566 HydrophobicContact CG1-CE2 4.43Å; I44-Y566 HydrophobicContact CG2-CE2 4.31Å; S45-Y566 PolarHBondContact N-OH 3.13Å; I48-Y566 HydrophobicContact CD1-CE2 3.84Å; I48-Y566 WeakPolarHBondContact CD1-OH 3.45Å; Y563-Y566 WeakPolarHBondContact O-CB 3.27Å; Y563-Y566 PolarHBondContact O-N 3.31Å; Y563-Y566 VanDerWaalsContact O-N 3.16Å; Y564-Y566 PolarHBondContact O-N 3.38Å; Y566-E568 VanDerWaalsContact C-N 3.31Å; Y566-E568 PolarHBondContact O-N 3.45Å; Y566-Q569 WeakPolarHBondContact O-CB 3.39Å; Y566-Q569 PolarHBondContact O-N 3.18Å; Y566-I570 HydrophobicContact CD1-CD1 3.81Å; Y566-I570 HydrophobicContact CE1-CD1 3.31Å; Y566-I570 HydrophobicContact CE1-CG1 4.21Å; Y566-I570 PolarHBondContact O-N 3Å
567F92Very high87.7Confident0 Ų039.3 Ų39.30%020%0.201CC..Hα-helixtrans-64.8-36.2174.8-64.5-32.3000112.5L473 I476 I477 L480 F529 Y533 F560 Y563 Y564 Q569 I570 W571L473-F567 HydrophobicContact CD1-CB 3.88Å; L473-F567 HydrophobicContact CD1-CD1 4.09Å; L473-F567 HydrophobicContact CD1-CG 4Å; I476-F567 HydrophobicContact CG2-CE1 4.06Å; I477-F567 HydrophobicContact CD1-CE2 4.45Å; I477-F567 HydrophobicContact CG1-CE1 4.47Å; I477-F567 HydrophobicContact CG1-CE2 4.13Å; I477-F567 HydrophobicContact CG1-CZ 4.07Å; L480-F567 HydrophobicContact CD1-CE1 3.74Å; L480-F567 HydrophobicContact CD1-CZ 3.45Å; L480-F567 VanDerWaalsContact CD1-CZ 3.45Å; F529-F567 HydrophobicContact CE2-CB 3.66Å; F529-F567 HydrophobicContact CZ-CB 3.62Å; Y533-F567 HydrophobicContact CD2-CD2 4.19Å; Y533-F567 AromaticContact CE2-CD2 3.52Å; Y533-F567 HydrophobicContact CE2-CD2 3.52Å; Y533-F567 AromaticContact CE2-CE2 3.96Å; Y533-F567 HydrophobicContact CE2-CE2 3.96Å; F560-F567 HydrophobicContact CB-CE2 3.76Å; F560-F567 HydrophobicContact CB-CZ 4.33Å; Y563-F567 HydrophobicContact CD2-CZ 4.16Å; Y563-F567 HydrophobicContact CG-CZ 4.3Å; Y563-F567 VanDerWaalsContact O-CD2 3.27Å; Y563-F567 WeakPolarHBondContact O-CD2 3.36Å; Y563-F567 VanDerWaalsContact O-CG 3.31Å; Y563-F567 WeakPolarHBondContact O-CG 3.17Å; Y563-F567 PolarHBondContact O-N 2.61Å; Y564-F567 PolarHBondContact O-N 2.77Å; Y564-F567 VanDerWaalsContact O-N 3.15Å; F567-Q569 VanDerWaalsContact C-N 3.33Å; F567-I570 PolarHBondContact O-N 3.23Å; F567-W571 VanDerWaalsContact O-CB 3.24Å; F567-W571 WeakPolarHBondContact O-CB 3.47Å; F567-W571 PolarHBondContact O-N 3.47Å
568E94.1Very high89.4Confident68 Ų6833.9 Ų33.932%0.31817%0.172SC..Hα-helixtrans-62.9-42.6173-171.3-176.9-175.800110.9F529 Y564 Y566 W571 N572F529-E568 HydrophobicContact CB-CG 4.13Å; F529-E568 HydrophobicContact CD1-CB 3.6Å; F529-E568 HydrophobicContact CD1-CG 3.74Å; F529-E568 HydrophobicContact CE1-CB 3.74Å; F529-E568 HydrophobicContact CE1-CG 4.38Å; F529-E568 HydrophobicContact CG-CB 4.04Å; F529-E568 HydrophobicContact CG-CG 4.02Å; F529-E568 HydrophobicContact CZ-CB 4.3Å; Y564-E568 PolarHBondContact O-N 2.9Å; Y566-E568 VanDerWaalsContact C-N 3.31Å; Y566-E568 PolarHBondContact O-N 3.45Å; E568-W571 WeakPolarHBondContact O-CB 3.2Å; E568-W571 PolarHBondContact O-N 3.44Å; E568-N572 PolarHBondContact O-N 2.91Å; E568-N572 VanDerWaalsContact O-N 3.11Å; E568-N572 PolarHBondContact O-ND2 3.34Å
569Q91.4Very high90.7Very high65 Ų6533.8 Ų33.830%0.30417%0.171SC..Hα-helixtrans-61-45.9174.5-76.6-179.969.100112K56 D565 Y566 F567 N572 L573K56-Q569 VanDerWaalsContact NZ-OE1 3.07Å; D565-Q569 WeakPolarHBondContact O-CG 3.46Å; D565-Q569 PolarHBondContact O-N 3.45Å; D565-Q569 VanDerWaalsContact O-N 3.08Å; D565-Q569 PolarHBondContact O-NE2 3.24Å; Y566-Q569 WeakPolarHBondContact O-CB 3.39Å; Y566-Q569 PolarHBondContact O-N 3.18Å; F567-Q569 VanDerWaalsContact C-N 3.33Å; Q569-N572 PolarHBondContact O-N 3.25Å; Q569-L573 WeakPolarHBondContact O-CB 3.42Å; Q569-L573 WeakPolarHBondContact O-CG 3.27Å; Q569-L573 PolarHBondContact O-N 2.91Å; Q569-L573 VanDerWaalsContact O-N 3.08Å
570I92.3Very high92Very high4 Ų430.5 Ų30.52%0.02115%0.149CC..Hα-helixtrans-62-47.3176.1-72178.3000110.7L32 I48 I476 Y566 F567 N572 L573 I574L32-I570 HydrophobicContact CB-CD1 4.4Å; L32-I570 HydrophobicContact CD1-CG2 4.49Å; L32-I570 WeakPolarHBondContact O-CD1 3.32Å; I48-I570 HydrophobicContact CD1-CD1 4.45Å; I48-I570 HydrophobicContact CD1-CG1 3.89Å; I476-I570 HydrophobicContact CD1-CD1 4.38Å; I476-I570 HydrophobicContact CD1-CG2 3.89Å; Y566-I570 HydrophobicContact CD1-CD1 3.81Å; Y566-I570 HydrophobicContact CE1-CD1 3.31Å; Y566-I570 HydrophobicContact CE1-CG1 4.21Å; Y566-I570 PolarHBondContact O-N 3Å; F567-I570 PolarHBondContact O-N 3.23Å; I570-N572 PolarHBondContact O-N 3.1Å; I570-L573 PolarHBondContact O-N 3.37Å; I570-I574 HydrophobicContact CG2-CD1 3.87Å; I570-I574 HydrophobicContact CG2-CG1 3.97Å; I570-I574 VanDerWaalsContact O-CG1 3.27Å; I570-I574 WeakPolarHBondContact O-CG1 3.44Å; I570-I574 PolarHBondContact O-N 2.85Å
571W94.8Very high92.8Very high2 Ų230.4 Ų30.41%0.00815%0.149CC..Hα-helixtrans-50.2-47.4179.3171.4-92.6000111.8R469 I470 L473 I527 F529 V532 F567 E568R469-W571 HydrophobicContact CB-CD2 4.36Å; R469-W571 HydrophobicContact CB-CE3 3.81Å; R469-W571 HydrophobicContact CB-CH2 3.7Å; R469-W571 HydrophobicContact CB-CZ2 4.26Å; R469-W571 HydrophobicContact CB-CZ3 3.46Å; R469-W571 VanDerWaalsContact CB-CZ3 3.46Å; R469-W571 WeakPolarHBondContact CD-O 3.14Å; I470-W571 HydrophobicContact CG1-CH2 3.88Å; I470-W571 HydrophobicContact CG1-CZ3 3.93Å; L473-W571 HydrophobicContact CD2-CE3 3.87Å; L473-W571 HydrophobicContact CD2-CZ3 4.42Å; I527-W571 HydrophobicContact CG2-CH2 4.43Å; I527-W571 HydrophobicContact CG2-CZ2 4.21Å; F529-W571 HydrophobicContact CB-CB 4.38Å; F529-W571 HydrophobicContact CB-CD2 4.38Å; F529-W571 HydrophobicContact CB-CG 3.9Å; F529-W571 HydrophobicContact CD2-CB 3.77Å; F529-W571 HydrophobicContact CD2-CD2 4.3Å; F529-W571 AromaticContact CD2-CG 3.94Å; F529-W571 HydrophobicContact CD2-CG 3.94Å; F529-W571 HydrophobicContact CG-CB 4.4Å; F529-W571 HydrophobicContact CG-CG 4.36Å; V532-W571 HydrophobicContact CB-CH2 4.22Å; V532-W571 HydrophobicContact CB-CZ3 4.34Å; V532-W571 HydrophobicContact CG1-CH2 4.16Å; V532-W571 HydrophobicContact CG1-CZ3 3.94Å; V532-W571 HydrophobicContact CG2-CH2 3.81Å; V532-W571 HydrophobicContact CG2-CZ2 4.31Å; V532-W571 HydrophobicContact CG2-CZ3 4.4Å; F567-W571 VanDerWaalsContact O-CB 3.24Å; F567-W571 WeakPolarHBondContact O-CB 3.47Å; F567-W571 PolarHBondContact O-N 3.47Å; E568-W571 WeakPolarHBondContact O-CB 3.2Å; E568-W571 PolarHBondContact O-N 3.44Å
572N94.9Very high93.5Very high37 Ų3725.5 Ų25.520%0.19812%0.123CC..Hα-helixtrans-74.6-27.9-179.3-65.4-46.1000112.9K60 E568 Q569 I570K60-N572 HydrophobicContact CD-CB 4.28Å; K60-N572 WeakPolarHBondContact CE-ND2 3.49Å; K60-N572 HydrophobicContact CG-CB 3.43Å; K60-N572 VanDerWaalsContact CG-CB 3.43Å; E568-N572 PolarHBondContact O-N 2.91Å; E568-N572 VanDerWaalsContact O-N 3.11Å; E568-N572 PolarHBondContact O-ND2 3.34Å; Q569-N572 PolarHBondContact O-N 3.25Å; I570-N572 PolarHBondContact O-N 3.1Å
573L95.1Very high94.2Very high1 Ų120.7 Ų20.71%0.00510%0.1CC..Hα-helixtrans-85.2-21.9179.3-75.4171.5000114.3I48 I51 K56 L59 K60 Q569 I570 G576 L577I48-L573 HydrophobicContact CG2-CD1 4.37Å; I51-L573 HydrophobicContact CD1-CD1 4.24Å; I51-L573 HydrophobicContact CD1-CD2 4.47Å; K56-L573 HydrophobicContact CG-CD1 4.5Å; K56-L573 HydrophobicContact CG-CD2 4.14Å; L59-L573 HydrophobicContact CB-CD2 4.25Å; K60-L573 HydrophobicContact CB-CD2 4.16Å; Q569-L573 WeakPolarHBondContact O-CB 3.42Å; Q569-L573 WeakPolarHBondContact O-CG 3.27Å; Q569-L573 PolarHBondContact O-N 2.91Å; Q569-L573 VanDerWaalsContact O-N 3.08Å; I570-L573 PolarHBondContact O-N 3.37Å; L573-G576 PolarHBondContact O-N 3.47Å; L573-G576 VanDerWaalsContact O-N 3.15Å; L573-L577 HydrophobicContact CB-CD1 4.26Å; L573-L577 HydrophobicContact CB-CG 4.45Å; L573-L577 WeakPolarHBondContact O-CB 3.5Å; L573-L577 WeakPolarHBondContact O-CG 3.24Å; L573-L577 PolarHBondContact O-N 3.03Å
574I95.8Very high94.7Very high0 Ų020 Ų200%010%0.097CC..Hα-helixtrans-51.2-49.8-176.7-77.1159.1000112.3W28 R469 V472 I570 G576 L577 L578W28-I574 HydrophobicContact CH2-CG2 4.39Å; W28-I574 HydrophobicContact CZ3-CB 4.29Å; W28-I574 HydrophobicContact CZ3-CG1 3.98Å; W28-I574 HydrophobicContact CZ3-CG2 4.1Å; R469-I574 HydrophobicContact CG-CB 4.1Å; R469-I574 HydrophobicContact CG-CG2 3.82Å; V472-I574 HydrophobicContact CB-CD1 3.88Å; V472-I574 HydrophobicContact CB-CG1 4.49Å; V472-I574 HydrophobicContact CG1-CD1 3.66Å; V472-I574 HydrophobicContact CG1-CG1 4.01Å; I570-I574 HydrophobicContact CG2-CD1 3.87Å; I570-I574 HydrophobicContact CG2-CG1 3.97Å; I570-I574 VanDerWaalsContact O-CG1 3.27Å; I570-I574 WeakPolarHBondContact O-CG1 3.44Å; I570-I574 PolarHBondContact O-N 2.85Å; I574-G576 PolarHBondContact O-N 2.92Å; I574-L577 PolarHBondContact O-N 2.77Å; I574-L578 WeakPolarHBondContact O-CB 3.12Å; I574-L578 PolarHBondContact O-N 3.24Å
575P96.3Very high95Very high19 Ų1917.4 Ų17.412%0.1239%0.088CC..Hα-helixtrans-60.9-44-180-24.436.3000112.5L67 R469 L578 A579L67-P575 HydrophobicContact CD1-CB 3.52Å; R469-P575 HydrophobicContact CG-CG 4.08Å; P575-L578 PolarHBondContact O-N 3.41Å; P575-A579 WeakPolarHBondContact O-CB 3.41Å; P575-A579 PolarHBondContact O-N 2.54Å
576G97Very high95.3Very high0 Ų013.6 Ų13.60%07%0.069CC..Hα-helixtrans-63.2-45.3177.400000113.5L573 I574 L578 A579 L580L573-G576 PolarHBondContact O-N 3.47Å; L573-G576 VanDerWaalsContact O-N 3.15Å; I574-G576 PolarHBondContact O-N 2.92Å; G576-L578 VanDerWaalsContact C-N 3.31Å; G576-L578 PolarHBondContact O-N 3.18Å; G576-A579 WeakPolarHBondContact O-CB 3.38Å; G576-A579 PolarHBondContact O-N 2.74Å; G576-L580 WeakPolarHBondContact O-CG 3.5Å; G576-L580 PolarHBondContact O-N 3.07Å
577L96.1Very high95.7Very high5 Ų512.5 Ų12.53%0.0267%0.065CC..Hα-helixtrans-63.3-38.5175.4-72.5176000111.9W28 L32 V47 I51 L573 I574 L580 Q581W28-L577 HydrophobicContact CH2-CB 3.64Å; W28-L577 HydrophobicContact CZ2-CB 4.43Å; W28-L577 HydrophobicContact CZ3-CB 4.24Å; L32-L577 HydrophobicContact CD2-CD1 3.99Å; V47-L577 HydrophobicContact CG1-CD2 4.47Å; I51-L577 HydrophobicContact CD1-CD2 3.94Å; L573-L577 HydrophobicContact CB-CD1 4.26Å; L573-L577 HydrophobicContact CB-CG 4.45Å; L573-L577 WeakPolarHBondContact O-CB 3.5Å; L573-L577 WeakPolarHBondContact O-CG 3.24Å; L573-L577 PolarHBondContact O-N 3.03Å; I574-L577 PolarHBondContact O-N 2.77Å; L577-L580 HydrophobicContact CD2-CD1 4.34Å; L577-L580 PolarHBondContact O-N 3.47Å; L577-Q581 PolarHBondContact O-N 3.42Å
578L96.7Very high96Very high9 Ų912.9 Ų12.95%0.0477%0.067CC..Hα-helixtrans-66-41.3176-178.262000111.2W28 W457 W460 I574 P575 G576 Q581 Q582W28-L578 HydrophobicContact CH2-CB 4.11Å; W28-L578 HydrophobicContact CZ2-CB 4.12Å; W28-L578 HydrophobicContact CZ2-CD1 4.2Å; W457-L578 VanDerWaalsContact NE1-CD2 3.34Å; W460-L578 HydrophobicContact CH2-CD2 4.08Å; W460-L578 HydrophobicContact CZ3-CD2 3.67Å; I574-L578 WeakPolarHBondContact O-CB 3.12Å; I574-L578 PolarHBondContact O-N 3.24Å; P575-L578 PolarHBondContact O-N 3.41Å; G576-L578 VanDerWaalsContact C-N 3.31Å; G576-L578 PolarHBondContact O-N 3.18Å; L578-Q581 CarbonylContact O-C 3.55Å; L578-Q581 WeakPolarHBondContact O-CB 3.26Å; L578-Q581 PolarHBondContact O-N 3.26Å; L578-Q581 VanDerWaalsContact O-N 3.13Å; L578-Q582 WeakPolarHBondContact O-CG 3.49Å; L578-Q582 PolarHBondContact O-N 2.73Å
579A97.8Very high96.1Very high0 Ų010.4 Ų10.40%06%0.055CC..Hα-helixtrans-60.6-43.1175.200000111.6L67 F70 V71 W457 P575 G576 Q581 Q582 L583L67-A579 HydrophobicContact CB-CB 4.18Å; L67-A579 HydrophobicContact CD2-CB 3.88Å; F70-A579 HydrophobicContact CD1-CB 4.4Å; V71-A579 HydrophobicContact CG2-CB 3.85Å; V71-A579 WeakPolarHBondContact CG2-O 3.06Å; W457-A579 HydrophobicContact CH2-CB 3.85Å; W457-A579 HydrophobicContact CZ2-CB 4.05Å; P575-A579 WeakPolarHBondContact O-CB 3.41Å; P575-A579 PolarHBondContact O-N 2.54Å; G576-A579 WeakPolarHBondContact O-CB 3.38Å; G576-A579 PolarHBondContact O-N 2.74Å; A579-Q581 VanDerWaalsContact C-N 3.32Å; A579-Q581 PolarHBondContact O-N 3Å; A579-Q582 WeakPolarHBondContact O-CB 3.48Å; A579-Q582 PolarHBondContact O-N 3.04Å; A579-Q582 VanDerWaalsContact O-N 3.1Å; A579-L583 PolarHBondContact O-N 3.03Å
580L97.6Very high96.3Very high0 Ų07.8 Ų7.80%04%0.043CC..Hα-helixtrans-58-44.5171.8-67.2176.3000111.6I23 L59 F70 L84 L87 G576 L577 Q582 L583 F584I23-L580 HydrophobicContact CD1-CD1 4.34Å; I23-L580 HydrophobicContact CG1-CD1 4.49Å; I23-L580 HydrophobicContact CG2-CB 3.64Å; L59-L580 HydrophobicContact CD1-CD1 3.79Å; L59-L580 HydrophobicContact CD1-CG 4.32Å; F70-L580 HydrophobicContact CE1-CD2 3.98Å; F70-L580 HydrophobicContact CZ-CD2 4.1Å; L84-L580 HydrophobicContact CD1-CD2 3.9Å; L87-L580 HydrophobicContact CD2-CD2 3.65Å; G576-L580 WeakPolarHBondContact O-CG 3.5Å; G576-L580 PolarHBondContact O-N 3.07Å; L577-L580 HydrophobicContact CD2-CD1 4.34Å; L577-L580 PolarHBondContact O-N 3.47Å; L580-Q582 VanDerWaalsContact C-N 3.29Å; L580-Q582 PolarHBondContact O-N 2.72Å; L580-L583 WeakPolarHBondContact O-CB 3.4Å; L580-L583 PolarHBondContact O-N 3Å; L580-F584 WeakPolarHBondContact O-CD2 3.26Å; L580-F584 PolarHBondContact O-N 2.79Å
581Q97.2Very high96.6Very high3 Ų38 Ų81%0.0145%0.045CC..Hα-helixtrans-64.6-32175.9-74.2-169.3-9.600113I23 L448 L577 L578 A579 L583 F584 Q585I23-Q581 WeakPolarHBondContact O-CG 3.47Å; I23-Q581 PolarHBondContact O-NE2 3.22Å; L448-Q581 HydrophobicContact CD1-CB 3.9Å; L448-Q581 HydrophobicContact CD2-CB 3.95Å; L448-Q581 HydrophobicContact CD2-CG 4Å; L577-Q581 PolarHBondContact O-N 3.42Å; L578-Q581 CarbonylContact O-C 3.55Å; L578-Q581 WeakPolarHBondContact O-CB 3.26Å; L578-Q581 PolarHBondContact O-N 3.26Å; L578-Q581 VanDerWaalsContact O-N 3.13Å; A579-Q581 VanDerWaalsContact C-N 3.32Å; A579-Q581 PolarHBondContact O-N 3Å; Q581-L583 VanDerWaalsContact C-N 3.29Å; Q581-L583 PolarHBondContact O-N 3.15Å; Q581-F584 PolarHBondContact O-N 3Å; Q581-Q585 PolarHBondContact O-N 3.34Å
582Q97.3Very high96.7Very high9 Ų98.1 Ų8.14%0.0425%0.045CC..Hα-helixtrans-64.5-32.3174.3-64.1-42.6-64.400112.4V71 P454 W457 L578 A579 L580 P586V71-Q582 HydrophobicContact CG1-CB 3.81Å; V71-Q582 HydrophobicContact CG2-CB 4.09Å; P454-Q582 HydrophobicContact CB-CB 4.25Å; P454-Q582 HydrophobicContact CG-CB 4.2Å; P454-Q582 WeakPolarHBondContact CG-O 3.49Å; W457-Q582 HydrophobicContact CB-CG 4.23Å; W457-Q582 HydrophobicContact CD2-CG 3.6Å; W457-Q582 HydrophobicContact CE3-CB 4.38Å; W457-Q582 HydrophobicContact CE3-CG 3.71Å; W457-Q582 HydrophobicContact CG-CG 3.82Å; W457-Q582 HydrophobicContact CZ3-CG 4.29Å; L578-Q582 WeakPolarHBondContact O-CG 3.49Å; L578-Q582 PolarHBondContact O-N 2.73Å; A579-Q582 WeakPolarHBondContact O-CB 3.48Å; A579-Q582 PolarHBondContact O-N 3.04Å; A579-Q582 VanDerWaalsContact O-N 3.1Å; L580-Q582 VanDerWaalsContact C-N 3.29Å; L580-Q582 PolarHBondContact O-N 2.72Å; Q582-P586 WeakPolarHBondContact O-CD 3.33Å
583L97.4Very high96.8Very high4 Ų46.5 Ų6.52%0.0214%0.037CC..Hα-helixtrans-65.4-41.7173.3-68.8171.2000112.3F70 V71 L87 S88 C91 A579 L580 Q581F70-L583 HydrophobicContact CD1-CD1 4.34Å; F70-L583 HydrophobicContact CE1-CD1 3.44Å; F70-L583 VanDerWaalsContact CE1-CD1 3.44Å; F70-L583 HydrophobicContact CE1-CG 4.38Å; F70-L583 HydrophobicContact CE2-CD1 4.42Å; F70-L583 HydrophobicContact CZ-CD1 3.48Å; F70-L583 VanDerWaalsContact CZ-CD1 3.48Å; V71-L583 HydrophobicContact CB-CD2 4.45Å; V71-L583 HydrophobicContact CG1-CD2 4.39Å; V71-L583 HydrophobicContact CG2-CD2 4.49Å; V71-L583 HydrophobicContact CG2-CG 4.34Å; L87-L583 HydrophobicContact CD2-CD1 4.45Å; S88-L583 WeakPolarHBondContact OG-CD2 3.49Å; C91-L583 HydrophobicContact CB-CB 4.04Å; A579-L583 PolarHBondContact O-N 3.03Å; L580-L583 WeakPolarHBondContact O-CB 3.4Å; L580-L583 PolarHBondContact O-N 3Å; Q581-L583 VanDerWaalsContact C-N 3.29Å; Q581-L583 PolarHBondContact O-N 3.15Å
584F97.8Very high96.9Very high0 Ų06.5 Ų6.50%04%0.037CC..Hα-helixtrans-79.7-27.1-176.9-82.4-89.3000113.7F16 I17 Y20 I23 Y24 L87 L448 L580 Q581 L587 L588F16-F584 HydrophobicContact CD1-CE1 4.42Å; F16-F584 AromaticContact CE1-CE1 3.81Å; F16-F584 HydrophobicContact CE1-CE1 3.81Å; F16-F584 AromaticContact CE1-CZ 3.8Å; F16-F584 HydrophobicContact CE1-CZ 3.8Å; F16-F584 HydrophobicContact CZ-CZ 4.08Å; I17-F584 HydrophobicContact CD1-CD1 4.22Å; I17-F584 HydrophobicContact CD1-CE1 4.16Å; Y20-F584 VanDerWaalsContact CB-CZ 3.47Å; Y20-F584 HydrophobicContact CG-CZ 4.15Å; I23-F584 HydrophobicContact CB-CD2 4.37Å; I23-F584 HydrophobicContact CB-CE2 4.19Å; I23-F584 HydrophobicContact CD1-CE2 3.8Å; I23-F584 HydrophobicContact CD1-CZ 4.4Å; I23-F584 HydrophobicContact CG2-CD2 3.7Å; I23-F584 HydrophobicContact CG2-CE2 3.88Å; Y24-F584 HydrophobicContact CD1-CB 4.48Å; Y24-F584 AromaticContact CD1-CD1 3.42Å; Y24-F584 HydrophobicContact CD1-CD1 3.42Å; Y24-F584 VanDerWaalsContact CD1-CD1 3.42Å; Y24-F584 AromaticContact CD1-CE1 3.71Å; Y24-F584 HydrophobicContact CD1-CE1 3.71Å; Y24-F584 AromaticContact CD1-CG 3.9Å; Y24-F584 HydrophobicContact CD1-CG 3.9Å; Y24-F584 HydrophobicContact CD1-CZ 4.4Å; Y24-F584 AromaticContact CE1-CD1 3.9Å; Y24-F584 HydrophobicContact CE1-CD1 3.9Å; Y24-F584 AromaticContact CE1-CE1 3.83Å; Y24-F584 HydrophobicContact CE1-CE1 3.83Å; Y24-F584 HydrophobicContact CG-CD1 4.35Å; L87-F584 HydrophobicContact CD1-CE2 4.19Å; L87-F584 HydrophobicContact CD1-CZ 4.13Å; L87-F584 HydrophobicContact CD2-CE2 4.47Å; L448-F584 HydrophobicContact CD2-CB 4.07Å; L580-F584 WeakPolarHBondContact O-CD2 3.26Å; L580-F584 PolarHBondContact O-N 2.79Å; Q581-F584 PolarHBondContact O-N 3Å; F584-L587 PolarHBondContact O-N 3.1Å; F584-L588 HydrophobicContact CB-CD1 4.16Å; F584-L588 HydrophobicContact CB-CG 4.41Å; F584-L588 WeakPolarHBondContact O-CB 3.38Å; F584-L588 VanDerWaalsContact O-CG 3.29Å; F584-L588 WeakPolarHBondContact O-CG 3.36Å; F584-L588 PolarHBondContact O-N 2.75Å
585Q96.5Very high97Very high3 Ų36.6 Ų6.61%0.0144%0.037CC..Hα-helixtrans-48.4-58.4-178.8-172.3-66.2-5200113.1L448 A449 Q451 Q581 L587 L588 E589L448-Q585 HydrophobicContact CD1-CB 4.15Å; L448-Q585 HydrophobicContact CD1-CG 4.44Å; L448-Q585 HydrophobicContact CG-CB 4.39Å; L448-Q585 WeakPolarHBondContact O-CG 3.35Å; A449-Q585 PolarHBondContact O-NE2 3.19Å; Q451-Q585 HydrophobicContact CB-CG 4.23Å; Q451-Q585 PolarHBondContact O-NE2 3.36Å; Q581-Q585 PolarHBondContact O-N 3.34Å; Q585-L587 VanDerWaalsContact C-N 3.31Å; Q585-L587 PolarHBondContact O-N 2.96Å; Q585-L588 PolarHBondContact O-N 3.16Å; Q585-E589 PolarHBondContact NE2-OE2 3.35Å; Q585-E589 WeakPolarHBondContact O-CB 2.98Å; Q585-E589 PolarHBondContact O-N 3.04Å
586P95.1Very high97Very high34 Ų346.3 Ų6.322%0.2213%0.034CC..Hα-helixtrans-68.3-32.1-177.128.5-36.8000112T95 P454 Q582 T590T95-P586 HydrophobicContact CG2-CB 4Å; P454-P586 HydrophobicContact CG-CG 4.36Å; Q582-P586 WeakPolarHBondContact O-CD 3.33Å; P586-T590 WeakPolarHBondContact O-CB 3.27Å; P586-T590 PolarHBondContact O-N 3.19Å; P586-T590 PolarHBondContact O-OG1 2.87Å
587L96.7Very high96.9Very high0 Ų06.3 Ų6.30%03%0.034CC..Hα-helixtrans-64.3-51.4177.2-177.554.8000111.4L13 F16 I17 F94 T95 F584 Q585 E589 T590 I591L13-L587 HydrophobicContact CD1-CD1 3.68Å; L13-L587 HydrophobicContact CD1-CD2 3.88Å; L13-L587 HydrophobicContact CD1-CG 4.09Å; L13-L587 HydrophobicContact CD2-CD1 4.49Å; F16-L587 HydrophobicContact CD1-CD2 4.26Å; F16-L587 HydrophobicContact CE1-CD2 4.09Å; I17-L587 HydrophobicContact CD1-CD2 3.8Å; I17-L587 HydrophobicContact CD1-CG 4.18Å; F94-L587 HydrophobicContact CB-CD1 3.71Å; F94-L587 HydrophobicContact CB-CD2 4.34Å; T95-L587 WeakPolarHBondContact OG1-CA 3.47Å; T95-L587 WeakPolarHBondContact OG1-CB 3.2Å; T95-L587 PolarHBondContact OG1-N 3.34Å; F584-L587 PolarHBondContact O-N 3.1Å; Q585-L587 VanDerWaalsContact C-N 3.31Å; Q585-L587 PolarHBondContact O-N 2.96Å; L587-E589 VanDerWaalsContact C-N 3.33Å; L587-E589 PolarHBondContact O-N 2.85Å; L587-T590 PolarHBondContact O-N 3.39Å; L587-I591 HydrophobicContact CG-CD1 4.46Å; L587-I591 WeakPolarHBondContact O-CG1 3.33Å; L587-I591 PolarHBondContact O-N 3.3Å
588L97.8Very high96.7Very high8 Ų87.8 Ų7.84%0.0424%0.039CC..Hα-helixtrans-64.1-39179.3-66.4173.6000111.8I17 Y24 T445 L448 A449 F584 Q585 I591 V592I17-L588 HydrophobicContact CD1-CD2 3.98Å; Y24-L588 HydrophobicContact CD2-CD1 4.03Å; Y24-L588 HydrophobicContact CD2-CD2 4.37Å; Y24-L588 HydrophobicContact CE2-CD2 4.38Å; Y24-L588 HydrophobicContact CG-CD1 3.91Å; T445-L588 HydrophobicContact CG2-CD1 4.09Å; T445-L588 HydrophobicContact CG2-CD2 3.92Å; L448-L588 HydrophobicContact CB-CD1 4.2Å; L448-L588 HydrophobicContact CD2-CD1 3.86Å; L448-L588 HydrophobicContact CG-CD1 4.12Å; A449-L588 HydrophobicContact CB-CB 3.8Å; F584-L588 HydrophobicContact CB-CD1 4.16Å; F584-L588 HydrophobicContact CB-CG 4.41Å; F584-L588 WeakPolarHBondContact O-CB 3.38Å; F584-L588 VanDerWaalsContact O-CG 3.29Å; F584-L588 WeakPolarHBondContact O-CG 3.36Å; F584-L588 PolarHBondContact O-N 2.75Å; Q585-L588 PolarHBondContact O-N 3.16Å; L588-I591 HydrophobicContact CD2-CD1 4.5Å; L588-I591 PolarHBondContact O-N 2.85Å; L588-V592 WeakPolarHBondContact O-CG2 3.01Å; L588-V592 PolarHBondContact O-N 3.36Å
589E96.9Very high96.6Very high16 Ų169.9 Ų9.98%0.0755%0.047CC..Hα-helixtrans-59.2-49.4172.2-179.2156.3-161.200110.8Y411 A449 Q585 L587 I591 V592 L593 R632Y411-E589 HydrophobicContact CE2-CG 4.09Å; Y411-E589 PolarHBondContact OH-OE1 3.19Å; A449-E589 WeakPolarHBondContact O-CB 3.45Å; Q585-E589 PolarHBondContact NE2-OE2 3.35Å; Q585-E589 WeakPolarHBondContact O-CB 2.98Å; Q585-E589 PolarHBondContact O-N 3.04Å; L587-E589 VanDerWaalsContact C-N 3.33Å; L587-E589 PolarHBondContact O-N 2.85Å; E589-I591 VanDerWaalsContact C-N 3.25Å; E589-I591 PolarHBondContact O-N 2.76Å; E589-V592 WeakPolarHBondContact O-CA 3.44Å; E589-V592 WeakPolarHBondContact O-CB 3.41Å; E589-V592 PolarHBondContact O-N 2.98Å; E589-L593 HydrophobicContact CG-CD1 4.17Å; E589-L593 HydrophobicContact CG-CG 4.21Å; E589-L593 WeakPolarHBondContact O-CG 3.09Å; E589-L593 PolarHBondContact O-N 3.43Å; E589-R632 IonicContact OE1-CZ 3.17Å; E589-R632 IonicContact OE1-NH1 2.77Å; E589-R632 PolarHBondContact OE1-NH1 3.49Å; E589-R632 IonicContact OE1-NH2 2.69Å; E589-R632 IonicContact OE2-CZ 3.77Å; E589-R632 IonicContact OE2-NH1 3.14Å; E589-R632 PolarHBondContact OE2-NH1 3.03Å; E589-R632 IonicContact OE2-NH2 3.97Å; E589-R632 PolarHBondContact OE2-NH2 3.45Å; E589-R632 VanDerWaalsContact OE2-NH2 3.17Å
590T96.3Very high96.4Very high9 Ų99.9 Ų9.96%0.0555%0.047CC..Hα-helixtrans-59.8-35.6-179.6-53.50000111.9L98 I102 P586 L587 L593 F594L98-T590 HydrophobicContact CB-CG2 3.84Å; L98-T590 HydrophobicContact CD2-CG2 3.7Å; L98-T590 HydrophobicContact CG-CG2 3.69Å; I102-T590 HydrophobicContact CD1-CG2 3.87Å; P586-T590 WeakPolarHBondContact O-CB 3.27Å; P586-T590 PolarHBondContact O-N 3.19Å; P586-T590 PolarHBondContact O-OG1 2.87Å; L587-T590 PolarHBondContact O-N 3.39Å; T590-L593 PolarHBondContact O-N 2.87Å; T590-F594 VanDerWaalsContact O-CB 3.24Å; T590-F594 WeakPolarHBondContact O-CB 3.31Å; T590-F594 PolarHBondContact O-N 3.31Å
591I97.7Very high96Very high10 Ų1011.6 Ų11.65%0.0515%0.053CC..Hα-helixtrans-62.6-44173-65.9167.7000111.2L13 I17 L98 F419 L425 M429 L587 L588 E589 L593 F594 D595L13-I591 HydrophobicContact CD1-CD1 4.37Å; L13-I591 HydrophobicContact CD2-CD1 4.25Å; L13-I591 HydrophobicContact CD2-CG1 4.08Å; L13-I591 HydrophobicContact CG-CD1 4.47Å; I17-I591 HydrophobicContact CD1-CD1 3.88Å; I17-I591 HydrophobicContact CG1-CD1 3.93Å; L98-I591 HydrophobicContact CD2-CG1 3.88Å; F419-I591 HydrophobicContact CZ-CG2 4.2Å; L425-I591 HydrophobicContact CD2-CG2 4Å; M429-I591 HydrophobicContact CE-CG2 4.44Å; L587-I591 HydrophobicContact CG-CD1 4.46Å; L587-I591 WeakPolarHBondContact O-CG1 3.33Å; L587-I591 PolarHBondContact O-N 3.3Å; L588-I591 HydrophobicContact CD2-CD1 4.5Å; L588-I591 PolarHBondContact O-N 2.85Å; E589-I591 VanDerWaalsContact C-N 3.25Å; E589-I591 PolarHBondContact O-N 2.76Å; I591-L593 VanDerWaalsContact C-N 3.35Å; I591-F594 PolarHBondContact O-N 3.41Å; I591-D595 WeakPolarHBondContact O-CB 3.49Å; I591-D595 PolarHBondContact O-N 2.96Å
592V97.3Very high95.5Very high3 Ų313.3 Ų13.32%0.0186%0.061CC..Hα-helixtrans-64.3-40.9176.1175.90000111.4Y411 M414 F419 L446 A449 L588 E589 R596Y411-V592 HydrophobicContact CD1-CG1 3.84Å; Y411-V592 HydrophobicContact CD2-CB 4.45Å; Y411-V592 HydrophobicContact CD2-CG1 4.22Å; Y411-V592 HydrophobicContact CD2-CG2 4.33Å; Y411-V592 HydrophobicContact CE1-CG1 3.83Å; Y411-V592 HydrophobicContact CE2-CB 4.41Å; Y411-V592 HydrophobicContact CE2-CG1 4.23Å; Y411-V592 HydrophobicContact CG-CG1 4.06Å; M414-V592 HydrophobicContact CE-CG1 4.45Å; F419-V592 HydrophobicContact CE2-CB 4.31Å; F419-V592 HydrophobicContact CE2-CG1 4.42Å; F419-V592 HydrophobicContact CE2-CG2 3.9Å; F419-V592 HydrophobicContact CZ-CG2 3.98Å; L446-V592 HydrophobicContact CD2-CG2 4.3Å; A449-V592 HydrophobicContact CB-CG2 4.31Å; L588-V592 WeakPolarHBondContact O-CG2 3.01Å; L588-V592 PolarHBondContact O-N 3.36Å; E589-V592 WeakPolarHBondContact O-CA 3.44Å; E589-V592 WeakPolarHBondContact O-CB 3.41Å; E589-V592 PolarHBondContact O-N 2.98Å; V592-R596 WeakPolarHBondContact O-CG 3.11Å; V592-R596 PolarHBondContact O-N 2.95Å
593L97.2Very high94.7Very high4 Ų418 Ų182%0.0218%0.079CC..Hα-helixtrans-64-47177.4-60.2-177.9000110.8I102 E589 T590 I591 D595 R596 L597 Y621 M634I102-L593 HydrophobicContact CD1-CB 3.82Å; I102-L593 HydrophobicContact CD1-CD1 3.86Å; E589-L593 HydrophobicContact CG-CD1 4.17Å; E589-L593 HydrophobicContact CG-CG 4.21Å; E589-L593 WeakPolarHBondContact O-CG 3.09Å; E589-L593 PolarHBondContact O-N 3.43Å; T590-L593 PolarHBondContact O-N 2.87Å; I591-L593 VanDerWaalsContact C-N 3.35Å; L593-D595 PolarHBondContact O-N 3.25Å; L593-R596 PolarHBondContact O-N 3.07Å; L593-L597 PolarHBondContact O-N 3.14Å; L593-L597 VanDerWaalsContact O-N 3.17Å; L593-Y621 WeakPolarHBondContact CA-OH 3.41Å; L593-Y621 HydrophobicContact CB-CD2 4.17Å; L593-Y621 HydrophobicContact CB-CE1 4.14Å; L593-Y621 HydrophobicContact CB-CE2 3.66Å; L593-Y621 HydrophobicContact CD1-CD1 4.39Å; L593-Y621 HydrophobicContact CD2-CD1 4.04Å; L593-Y621 HydrophobicContact CD2-CE1 3.44Å; L593-Y621 VanDerWaalsContact CD2-CE1 3.44Å; L593-Y621 HydrophobicContact CG-CE1 4.2Å; L593-Y621 WeakPolarHBondContact O-CE2 3.44Å; L593-Y621 PolarHBondContact O-OH 3.35Å; L593-M634 HydrophobicContact CD1-CB 3.94Å; L593-M634 HydrophobicContact CD1-CG 3.88Å; L593-M634 HydrophobicContact CD2-CB 4.48Å
594F96.7Very high93.3Very high1 Ų120.5 Ų20.50%0.0049%0.088CC..Hα-helixtrans-56.3-50.1176.7176.3-90.5000111.8L6 I10 L98 I102 Y424 T590 I591 R596 L597 W598L6-F594 HydrophobicContact CD1-CE2 4.04Å; L6-F594 HydrophobicContact CD1-CZ 4.21Å; L6-F594 HydrophobicContact CD2-CZ 4.43Å; I10-F594 HydrophobicContact CD1-CD1 4.44Å; I10-F594 HydrophobicContact CD1-CE1 3.91Å; I10-F594 HydrophobicContact CD1-CE2 4.21Å; I10-F594 HydrophobicContact CD1-CZ 3.79Å; I10-F594 HydrophobicContact CG1-CZ 4.31Å; L98-F594 HydrophobicContact CD1-CB 4.25Å; L98-F594 HydrophobicContact CD1-CD2 3.45Å; L98-F594 VanDerWaalsContact CD1-CD2 3.45Å; L98-F594 HydrophobicContact CD1-CE2 3.85Å; L98-F594 HydrophobicContact CD1-CG 3.84Å; L98-F594 HydrophobicContact CD2-CB 4.24Å; L98-F594 HydrophobicContact CG-CB 4.31Å; L98-F594 HydrophobicContact CG-CD2 4.27Å; L98-F594 HydrophobicContact CG-CG 4.43Å; I102-F594 VanDerWaalsContact CG2-CA 3.49Å; I102-F594 HydrophobicContact CG2-CB 3.69Å; I102-F594 HydrophobicContact CG2-CD2 3.94Å; I102-F594 HydrophobicContact CG2-CG 4.31Å; Y424-F594 AromaticContact CD1-CE1 3.96Å; Y424-F594 HydrophobicContact CD1-CE1 3.96Å; Y424-F594 HydrophobicContact CD1-CZ 4.1Å; Y424-F594 AromaticContact CE1-CE1 3.96Å; Y424-F594 HydrophobicContact CE1-CE1 3.96Å; Y424-F594 AromaticContact CE1-CZ 3.79Å; Y424-F594 HydrophobicContact CE1-CZ 3.79Å; T590-F594 VanDerWaalsContact O-CB 3.24Å; T590-F594 WeakPolarHBondContact O-CB 3.31Å; T590-F594 PolarHBondContact O-N 3.31Å; I591-F594 PolarHBondContact O-N 3.41Å; F594-R596 VanDerWaalsContact C-N 3.35Å; F594-R596 PolarHBondContact O-N 3.42Å; F594-L597 PolarHBondContact O-N 3.46Å; F594-W598 HydrophobicContact CD1-CE3 4.44Å; F594-W598 HydrophobicContact CD2-CD2 4.22Å; F594-W598 AromaticContact CD2-CE3 3.5Å; F594-W598 HydrophobicContact CD2-CE3 3.5Å; F594-W598 HydrophobicContact CD2-CH2 4.31Å; F594-W598 AromaticContact CD2-CZ3 3.55Å; F594-W598 HydrophobicContact CD2-CZ3 3.55Å; F594-W598 HydrophobicContact CE1-CB 4.43Å; F594-W598 AromaticContact CE1-CD2 3.95Å; F594-W598 HydrophobicContact CE1-CD2 3.95Å; F594-W598 HydrophobicContact CE1-CE3 4.18Å; F594-W598 HydrophobicContact CE1-CG 4.03Å; F594-W598 AromaticContact CE2-CD2 3.57Å; F594-W598 HydrophobicContact CE2-CD2 3.57Å; F594-W598 AromaticContact CE2-CE2 3.86Å; F594-W598 AromaticContact CE2-CE3 3.2Å; F594-W598 HydrophobicContact CE2-CE3 3.2Å; F594-W598 HydrophobicContact CE2-CG 4.48Å; F594-W598 AromaticContact CE2-CH2 3.51Å; F594-W598 HydrophobicContact CE2-CH2 3.51Å; F594-W598 AromaticContact CE2-CZ2 3.86Å; F594-W598 HydrophobicContact CE2-CZ2 3.86Å; F594-W598 AromaticContact CE2-CZ3 3.16Å; F594-W598 HydrophobicContact CE2-CZ3 3.16Å; F594-W598 HydrophobicContact CG-CE3 4.13Å; F594-W598 AromaticContact CZ-CD2 3.39Å; F594-W598 HydrophobicContact CZ-CD2 3.39Å; F594-W598 AromaticContact CZ-CE2 3.59Å; F594-W598 AromaticContact CZ-CE3 3.56Å; F594-W598 HydrophobicContact CZ-CE3 3.56Å; F594-W598 AromaticContact CZ-CG 3.92Å; F594-W598 HydrophobicContact CZ-CG 3.92Å; F594-W598 HydrophobicContact CZ-CH2 4.11Å; F594-W598 AromaticContact CZ-CZ2 3.98Å; F594-W598 HydrophobicContact CZ-CZ2 3.98Å; F594-W598 AromaticContact CZ-CZ3 3.91Å; F594-W598 HydrophobicContact CZ-CZ3 3.91Å; F594-W598 WeakPolarHBondContact O-CB 2.87Å; F594-W598 PolarHBondContact O-N 2.76Å
595D97Very high91.6Very high2 Ų223 Ų231%0.01110%0.102CC..Hα-helixtrans-53.3-49.6179.3178.952.2000112.6F419 P420 T421 S422 L425 I591 L593 L597 W598 Y599F419-D595 WeakPolarHBondContact CD2-OD2 3.39Å; F419-D595 HydrophobicContact CE2-CB 3.84Å; F419-D595 WeakPolarHBondContact CE2-OD2 3.47Å; F419-D595 HydrophobicContact CZ-CB 4.4Å; P420-D595 WeakPolarHBondContact CB-OD1 3.35Å; T421-D595 VanDerWaalsContact N-CG 3.28Å; T421-D595 PolarHBondContact N-OD1 3.47Å; T421-D595 PolarHBondContact N-OD2 3.4Å; S422-D595 WeakPolarHBondContact CB-OD1 3.32Å; S422-D595 PolarHBondContact N-OD1 3.48Å; S422-D595 PolarHBondContact OG-OD1 2.95Å; L425-D595 HydrophobicContact CD2-CB 3.68Å; I591-D595 WeakPolarHBondContact O-CB 3.49Å; I591-D595 PolarHBondContact O-N 2.96Å; L593-D595 PolarHBondContact O-N 3.25Å; D595-L597 PolarHBondContact O-N 3.08Å; D595-W598 PolarHBondContact O-N 3.31Å; D595-Y599 WeakPolarHBondContact O-CB 3.4Å; D595-Y599 PolarHBondContact O-N 3.01Å
596R96.1Very high89.6Confident13 Ų1329 Ų295%0.04913%0.133CC..Hα-helixtrans-63.7-41.2-179.2-69.8174177.4-155.5-6.8112.2S388 I392 M414 V592 L593 F594 L600 Y621S388-R596 VanDerWaalsContact CB-CZ 3.48Å; S388-R596 PolarHBondContact OG-NH1 2.85Å; I392-R596 HydrophobicContact CD1-CB 4.06Å; I392-R596 HydrophobicContact CD1-CG 4.21Å; M414-R596 PolarHBondContact SD-NH2 3.11Å; M414-R596 VanDerWaalsContact SD-NH2 3.38Å; V592-R596 WeakPolarHBondContact O-CG 3.11Å; V592-R596 PolarHBondContact O-N 2.95Å; L593-R596 PolarHBondContact O-N 3.07Å; F594-R596 VanDerWaalsContact C-N 3.35Å; F594-R596 PolarHBondContact O-N 3.42Å; R596-L600 PolarHBondContact O-N 2.77Å; R596-Y621 WeakPolarHBondContact CB-OH 3.43Å
597L94.9Very high87.2Confident0 Ų034.6 Ų34.60%016%0.161CC..Hα-helixtrans-68.6-39.9177.3178.863.5000111.7I102 L593 F594 D595 L600 R601 Y621 L636I102-L597 HydrophobicContact CB-CD2 4.14Å; I102-L597 HydrophobicContact CG2-CD2 4.39Å; L593-L597 PolarHBondContact O-N 3.14Å; L593-L597 VanDerWaalsContact O-N 3.17Å; F594-L597 PolarHBondContact O-N 3.46Å; D595-L597 PolarHBondContact O-N 3.08Å; L597-L600 WeakPolarHBondContact O-CB 3.27Å; L597-L600 PolarHBondContact O-N 3.08Å; L597-R601 WeakPolarHBondContact O-CG 3.38Å; L597-R601 PolarHBondContact O-N 2.95Å; L597-Y621 HydrophobicContact CB-CE2 4.01Å; L597-L636 HydrophobicContact CD1-CD1 3.99Å
598W93.6Very high84.6Confident36 Ų3637.1 Ų37.114%0.13619%0.187CC..Hα-helixtrans-65.9-41.9177.4-113.9-105.9000111.9L6 Y101 Y424 F594 D595 L600 R601 E602L6-W598 HydrophobicContact CD2-CH2 3.92Å; L6-W598 HydrophobicContact CD2-CZ2 3.25Å; Y101-W598 HydrophobicContact CD1-CH2 4.12Å; Y101-W598 HydrophobicContact CG-CH2 4.47Å; Y424-W598 AromaticContact CD1-CD1 3.64Å; Y424-W598 HydrophobicContact CD1-CG 4.37Å; Y424-W598 AromaticContact CD1-NE1 3.8Å; Y424-W598 AromaticContact CG-CD1 3.77Å; Y424-W598 AromaticContact CG-NE1 3.99Å; F594-W598 HydrophobicContact CD1-CE3 4.44Å; F594-W598 HydrophobicContact CD2-CD2 4.22Å; F594-W598 AromaticContact CD2-CE3 3.5Å; F594-W598 HydrophobicContact CD2-CE3 3.5Å; F594-W598 HydrophobicContact CD2-CH2 4.31Å; F594-W598 AromaticContact CD2-CZ3 3.55Å; F594-W598 HydrophobicContact CD2-CZ3 3.55Å; F594-W598 HydrophobicContact CE1-CB 4.43Å; F594-W598 AromaticContact CE1-CD2 3.95Å; F594-W598 HydrophobicContact CE1-CD2 3.95Å; F594-W598 HydrophobicContact CE1-CE3 4.18Å; F594-W598 HydrophobicContact CE1-CG 4.03Å; F594-W598 AromaticContact CE2-CD2 3.57Å; F594-W598 HydrophobicContact CE2-CD2 3.57Å; F594-W598 AromaticContact CE2-CE2 3.86Å; F594-W598 AromaticContact CE2-CE3 3.2Å; F594-W598 HydrophobicContact CE2-CE3 3.2Å; F594-W598 HydrophobicContact CE2-CG 4.48Å; F594-W598 AromaticContact CE2-CH2 3.51Å; F594-W598 HydrophobicContact CE2-CH2 3.51Å; F594-W598 AromaticContact CE2-CZ2 3.86Å; F594-W598 HydrophobicContact CE2-CZ2 3.86Å; F594-W598 AromaticContact CE2-CZ3 3.16Å; F594-W598 HydrophobicContact CE2-CZ3 3.16Å; F594-W598 HydrophobicContact CG-CE3 4.13Å; F594-W598 AromaticContact CZ-CD2 3.39Å; F594-W598 HydrophobicContact CZ-CD2 3.39Å; F594-W598 AromaticContact CZ-CE2 3.59Å; F594-W598 AromaticContact CZ-CE3 3.56Å; F594-W598 HydrophobicContact CZ-CE3 3.56Å; F594-W598 AromaticContact CZ-CG 3.92Å; F594-W598 HydrophobicContact CZ-CG 3.92Å; F594-W598 HydrophobicContact CZ-CH2 4.11Å; F594-W598 AromaticContact CZ-CZ2 3.98Å; F594-W598 HydrophobicContact CZ-CZ2 3.98Å; F594-W598 AromaticContact CZ-CZ3 3.91Å; F594-W598 HydrophobicContact CZ-CZ3 3.91Å; F594-W598 WeakPolarHBondContact O-CB 2.87Å; F594-W598 PolarHBondContact O-N 2.76Å; D595-W598 PolarHBondContact O-N 3.31Å; W598-L600 PolarHBondContact O-N 3.21Å; W598-R601 VanDerWaalsContact CZ3-NH1 3.32Å; W598-R601 PolarHBondContact O-N 3.23Å; W598-E602 WeakPolarHBondContact O-CB 3.3Å; W598-E602 VanDerWaalsContact O-CG 3.27Å; W598-E602 WeakPolarHBondContact O-CG 3.49Å; W598-E602 PolarHBondContact O-N 3.33Å
599Y94.3Very high81.9Confident53 Ų5342.1 Ų42.121%0.20821%0.214CC..Hα-helixtrans-56.3-39.7174.6179.2-117.7000112.1I392 Q396 T421 D595 Y603I392-Y599 HydrophobicContact CG2-CD1 3.66Å; I392-Y599 HydrophobicContact CG2-CE1 3.81Å; Q396-Y599 PolarHBondContact NE2-O 2.95Å; Q396-Y599 VanDerWaalsContact NE2-O 3.16Å; T421-Y599 HydrophobicContact CG2-CD1 3.7Å; T421-Y599 HydrophobicContact CG2-CD2 3.76Å; T421-Y599 HydrophobicContact CG2-CE1 3.82Å; T421-Y599 HydrophobicContact CG2-CE2 3.87Å; T421-Y599 HydrophobicContact CG2-CG 3.67Å; D595-Y599 WeakPolarHBondContact O-CB 3.4Å; D595-Y599 PolarHBondContact O-N 3.01Å; Y599-Y603 PolarHBondContact O-N 2.85Å
600L93Very high79.4Confident0 Ų048 Ų480%025%0.245CC..Hα-helixtrans-64.7-44.8173.6-84.9152.8000113.1I392 F395 Q396 L404 R596 L597 W598 Y616 L636 V638I392-L600 HydrophobicContact CD1-CD1 4.49Å; I392-L600 HydrophobicContact CG1-CD1 4.31Å; I392-L600 HydrophobicContact CG2-CD1 4.12Å; I392-L600 HydrophobicContact CG2-CD2 3.81Å; I392-L600 HydrophobicContact CG2-CG 3.66Å; F395-L600 HydrophobicContact CD1-CD2 3.62Å; F395-L600 HydrophobicContact CE1-CD2 3.89Å; Q396-L600 HydrophobicContact CG-CD2 4.05Å; L404-L600 HydrophobicContact CD2-CD1 4.17Å; R596-L600 PolarHBondContact O-N 2.77Å; L597-L600 WeakPolarHBondContact O-CB 3.27Å; L597-L600 PolarHBondContact O-N 3.08Å; W598-L600 PolarHBondContact O-N 3.21Å; L600-Y616 HydrophobicContact CB-CE2 4.23Å; L600-Y616 VanDerWaalsContact O-CE2 3.31Å; L600-Y616 WeakPolarHBondContact O-CE2 3.34Å; L600-Y616 PolarHBondContact O-OH 3.48Å; L600-L636 HydrophobicContact CD1-CD1 4.38Å; L600-L636 HydrophobicContact CD1-CD2 3.63Å; L600-L636 HydrophobicContact CD1-CG 4.36Å; L600-V638 HydrophobicContact CD1-CG2 3.88Å
601R89.9Confident77.1Confident35 Ų3553.2 Ų53.213%0.13227%0.273CS..Hα-helixtrans-70.3-38.5-178.2-71.9176.5172.1166.8-1.7112.2Y101 L597 W598 Y603 D614 S619Y101-R601 PolarHBondContact O-NH1 3.13Å; L597-R601 WeakPolarHBondContact O-CG 3.38Å; L597-R601 PolarHBondContact O-N 2.95Å; W598-R601 VanDerWaalsContact CZ3-NH1 3.32Å; W598-R601 PolarHBondContact O-N 3.23Å; R601-Y603 PolarHBondContact O-N 3.08Å; R601-D614 IonicContact NH2-OD2 3.47Å; R601-S619 PolarHBondContact NE-OG 3.15Å; R601-S619 PolarHBondContact NH2-O 3.21Å; R601-S619 PolarHBondContact NH2-OG 3.26Å
602E87Confident75Confident39 Ų3960.1 Ų60.118%0.18231%0.305CS..Hα-helixtrans-61.2-44177.3-75.2166.5-172.700112.6S422 D423 Y424 W598 R604 N605S422-E602 WeakPolarHBondContact CA-OE2 3.32Å; S422-E602 WeakPolarHBondContact CB-OE1 3.43Å; D423-E602 PolarHBondContact N-OE2 3.21Å; Y424-E602 WeakPolarHBondContact CA-OE1 3.44Å; Y424-E602 WeakPolarHBondContact CB-OE1 3.49Å; Y424-E602 PolarHBondContact N-OE1 3.15Å; W598-E602 WeakPolarHBondContact O-CB 3.3Å; W598-E602 VanDerWaalsContact O-CG 3.27Å; W598-E602 WeakPolarHBondContact O-CG 3.49Å; W598-E602 PolarHBondContact O-N 3.33Å; E602-R604 VanDerWaalsContact C-N 3.26Å; E602-R604 PolarHBondContact O-N 3.47Å; E602-N605 PolarHBondContact O-N 2.92Å
603Y78.4Confident73.6Confident107 Ų10768.4 Ų68.442%0.4234%0.341SS..Hα-helixtrans-56.4-37-175.4-177-95.3000113.5Q396 Y599 R601 I606Q396-Y603 HydrophobicContact CB-CD1 3.82Å; Q396-Y603 HydrophobicContact CB-CD2 4.46Å; Q396-Y603 HydrophobicContact CB-CE1 3.72Å; Q396-Y603 HydrophobicContact CB-CE2 4.37Å; Q396-Y603 HydrophobicContact CB-CG 4.21Å; Q396-Y603 HydrophobicContact CG-CD1 3.79Å; Q396-Y603 HydrophobicContact CG-CD2 4.48Å; Q396-Y603 HydrophobicContact CG-CE1 4.23Å; Q396-Y603 HydrophobicContact CG-CG 3.94Å; Y599-Y603 PolarHBondContact O-N 2.85Å; R601-Y603 PolarHBondContact O-N 3.08Å; Y603-I606 WeakPolarHBondContact O-CD1 3.38Å
604R69.5Low72.5Confident58 Ų5870 Ų7022%0.21935%0.35CS..Hα-helixtrans-82.7-19.7177.6-87.6-158.6167-158.7-6.8114.2E602 I606 P615 Y616 Y645E602-R604 VanDerWaalsContact C-N 3.26Å; E602-R604 PolarHBondContact O-N 3.47Å; R604-I606 VanDerWaalsContact C-N 3.29Å; R604-I606 PolarHBondContact O-N 3.49Å; R604-P615 HydrophobicContact CB-CB 3.48Å; R604-P615 VanDerWaalsContact CB-CB 3.48Å; R604-P615 HydrophobicContact CB-CG 3.78Å; R604-P615 HydrophobicContact CG-CB 4.3Å; R604-P615 PolarHBondContact NH1-O 3.48Å; R604-P615 VanDerWaalsContact NH1-O 3.1Å; R604-Y616 HydrophobicContact CG-CE1 4.46Å; R604-Y645 PolarHBondContact NH2-OH 3.12Å
605N62.4Low71.6Confident52 Ų5271 Ų7128%0.27836%0.356SS..Hα-helixtrans-83.4-3.6-178.8-69.4-6.2000113.2E602 N607 G608E602-N605 PolarHBondContact O-N 2.92Å; N605-N607 PolarHBondContact O-N 2.9Å; N605-G608 PolarHBondContact O-N 2.93Å
606I53.6Low71.1Confident129 Ų12971.2 Ų71.266%0.66236%0.357SS*.THydrogen-bonded Turntrans-57.6-23.6179.8-61.7174.2000112.3Y603 R604 G608Y603-I606 WeakPolarHBondContact O-CD1 3.38Å; R604-I606 VanDerWaalsContact C-N 3.29Å; R604-I606 PolarHBondContact O-N 3.49Å; I606-G608 PolarHBondContact O-N 2.93Å
607N44.6Very low70.6Confident151 Ų15173 Ų7381%0.80737%0.366SS*.THydrogen-bonded Turntrans-7720177.3-69.9-11.6000114.8N605 N609N605-N607 PolarHBondContact O-N 2.9Å; N607-N609 PolarHBondContact O-N 3.32Å
608G41.5Very low70.3Confident54 Ų5474.1 Ų74.156%0.55737%0.37SS*.SBendtrans79.1-3.8167.300000115.8N605 I606 N610N605-G608 PolarHBondContact O-N 2.93Å; I606-G608 PolarHBondContact O-N 2.93Å; G608-N610 VanDerWaalsContact C-N 3.25Å; G608-N610 PolarHBondContact O-N 3.1Å
609N42Very low70.2Confident113 Ų11372.5 Ų72.560%0.60436%0.364SS*.  trans-78.383166.9-70.9-7.1000108.4N607 D611N607-N609 PolarHBondContact O-N 3.32Å; N609-D611 PolarHBondContact O-N 2.98Å
610N44.2Very low70.1Confident138 Ų13870 Ų7074%0.73835%0.354SS*.  trans-667.4166.9-74.3-27.6000112.8G608 Q612G608-N610 VanDerWaalsContact C-N 3.25Å; G608-N610 PolarHBondContact O-N 3.1Å; N610-Q612 PolarHBondContact O-N 3.06Å
611D47.7Very low70.2Confident120 Ų12070.2 Ų70.264%0.64236%0.355SS*.  trans-59.7113.5173-69.3-21.6000107.6N609 K613N609-D611 PolarHBondContact O-N 2.98Å; D611-K613 PolarHBondContact O-N 3.01Å
612Q54.1Low70.3Confident154 Ų15468.5 Ų68.572%0.7235%0.349SS*.  trans-57.513.1-172.7-69.8167.1-1.800115.4N610N610-Q612 PolarHBondContact O-N 3.06Å
613K66.9Low70.5Confident177 Ų17769.2 Ų69.277%0.7735%0.35SS*.SBendtrans-80.4136179.4-158.4173-178.5-177.70109D611 P615D611-K613 PolarHBondContact O-N 3.01Å; K613-P615 WeakPolarHBondContact O-CD 3.28Å
614D74.1Confident71.1Confident38 Ų3864.3 Ų64.320%0.20333%0.33CS..  trans-50.2121.5171.3-169.7-17000109.5R601 Y616 S619R601-D614 IonicContact NH2-OD2 3.47Å; D614-Y616 PolarHBondContact O-N 3.07Å; D614-Y616 WeakPolarHBondContact OD1-CB 3.38Å; D614-Y616 PolarHBondContact OD1-N 3.41Å; D614-Y616 VanDerWaalsContact OD1-N 3.08Å; D614-S619 PolarHBondContact OD1-OG 3.47Å; D614-S619 WeakPolarHBondContact OD2-CB 3.45Å; D614-S619 PolarHBondContact OD2-N 3.16Å; D614-S619 PolarHBondContact OD2-OG 3.05Å
615P79.1Confident72Confident21 Ų2161.8 Ų61.814%0.13632%0.321CS..SBendtrans-74-3.9-177.530.5-36.3000113.2R604 K613R604-P615 HydrophobicContact CB-CB 3.48Å; R604-P615 VanDerWaalsContact CB-CB 3.48Å; R604-P615 HydrophobicContact CB-CG 3.78Å; R604-P615 HydrophobicContact CG-CB 4.3Å; R604-P615 PolarHBondContact NH1-O 3.48Å; R604-P615 VanDerWaalsContact NH1-O 3.1Å; K613-P615 WeakPolarHBondContact O-CD 3.28Å
616Y86.9Confident73.1Confident8 Ų862.2 Ų62.23%0.03132%0.323CS..SBendtrans-107.5158.9176.8-60.1-74.5000110.8F395 L600 R604 D614 Y618 V638 C639 K640F395-Y616 AromaticContact CE1-CE1 3.87Å; F395-Y616 HydrophobicContact CE1-CE1 3.87Å; F395-Y616 HydrophobicContact CZ-CE1 4.33Å; L600-Y616 HydrophobicContact CB-CE2 4.23Å; L600-Y616 VanDerWaalsContact O-CE2 3.31Å; L600-Y616 WeakPolarHBondContact O-CE2 3.34Å; L600-Y616 PolarHBondContact O-OH 3.48Å; R604-Y616 HydrophobicContact CG-CE1 4.46Å; D614-Y616 PolarHBondContact O-N 3.07Å; D614-Y616 WeakPolarHBondContact OD1-CB 3.38Å; D614-Y616 PolarHBondContact OD1-N 3.41Å; D614-Y616 VanDerWaalsContact OD1-N 3.08Å; Y616-Y618 VanDerWaalsContact C-N 3.28Å; Y616-V638 HydrophobicContact CD1-CG1 3.4Å; Y616-V638 HydrophobicContact CD2-CG1 3.72Å; Y616-V638 HydrophobicContact CE1-CG1 3.73Å; Y616-V638 HydrophobicContact CE2-CG1 4.02Å; Y616-V638 HydrophobicContact CG-CG1 3.4Å; Y616-C639 WeakPolarHBondContact CB-O 3.36Å; Y616-K640 HydrophobicContact CD1-CG 4.35Å; Y616-K640 HydrophobicContact CE1-CG 4.39Å
617Q85.5Confident74.6Confident50 Ų5057 Ų5723%0.23430%0.298CS..SBendtrans-64.8-40.8173.3-172.6176.9-27.800110.3C639 N641Q617-C639 HydrophobicContact CB-CB 4.35Å; Q617-C639 PolarHBondContact N-O 3.4Å; Q617-N641 WeakPolarHBondContact CA-OD1 3.45Å; Q617-N641 VanDerWaalsContact CB-OD1 3.23Å; Q617-N641 WeakPolarHBondContact CB-OD1 3.4Å; Q617-N641 PolarHBondContact N-OD1 3.48Å
618Y87.9Confident76.5Confident24 Ų2452.3 Ų52.39%0.09428%0.275CS..EExtended strand (participates in β ladder)trans-140.9132.8172.8-57.6-70.9000108I104 S106 K108 F110 Y616 V638 C639I104-Y618 HydrophobicContact CG2-CD1 4.32Å; S106-Y618 WeakPolarHBondContact OG-CE1 3.35Å; K108-Y618 HydrophobicContact CB-CE1 4.34Å; K108-Y618 WeakPolarHBondContact O-CE1 3.07Å; F110-Y618 HydrophobicContact CB-CD1 4.46Å; F110-Y618 HydrophobicContact CB-CE1 4.41Å; F110-Y618 HydrophobicContact CD2-CD1 4.2Å; F110-Y618 AromaticContact CD2-CD2 3.84Å; F110-Y618 HydrophobicContact CD2-CD2 3.84Å; F110-Y618 HydrophobicContact CD2-CE1 4.25Å; F110-Y618 AromaticContact CD2-CE2 3.88Å; F110-Y618 HydrophobicContact CD2-CE2 3.88Å; F110-Y618 HydrophobicContact CD2-CG 4.01Å; F110-Y618 HydrophobicContact CE2-CD2 4.23Å; F110-Y618 HydrophobicContact CE2-CE2 4.29Å; Y616-Y618 VanDerWaalsContact C-N 3.28Å; Y618-V638 CarbonylContact O-C 3.55Å; Y618-V638 VanDerWaalsContact O-CA 3.28Å; Y618-V638 WeakPolarHBondContact O-CA 3.36Å; Y618-C639 HydrophobicContact CD2-CB 3.96Å; Y618-C639 PolarHBondContact O-N 2.99Å
619S91.1Very high78.5Confident1 Ų154.4 Ų54.41%0.00727%0.273CS..EExtended strand (participates in β ladder)trans-145.1132.4164.577.30000111.2R601 D614 L637R601-S619 PolarHBondContact NE-OG 3.15Å; R601-S619 PolarHBondContact NH2-O 3.21Å; R601-S619 PolarHBondContact NH2-OG 3.26Å; D614-S619 PolarHBondContact OD1-OG 3.47Å; D614-S619 WeakPolarHBondContact OD2-CB 3.45Å; D614-S619 PolarHBondContact OD2-N 3.16Å; D614-S619 PolarHBondContact OD2-OG 3.05Å; S619-L637 WeakPolarHBondContact CA-O 3.44Å
620G93.3Very high80.6Confident0 Ų049 Ų490%024%0.244CC..EExtended strand (participates in β ladder)trans158.8-173.917600000112.6I102 L637I102-G620 CarbonylContact O-C 3.56Å; I102-G620 VanDerWaalsContact O-CA 3.27Å; I102-G620 WeakPolarHBondContact O-CA 3.36Å; G620-L637 PolarHBondContact N-O 3.45Å; G620-L637 PolarHBondContact O-N 3.26Å
621Y94.7Very high82.5Confident5 Ų542.8 Ų42.82%0.0221%0.211CC..EExtended strand (participates in β ladder)trans-103.5142.4179-72.9-94.3000112.3I102 T122 L593 R596 L597 M634 A635 L636I102-Y621 HydrophobicContact CB-CD2 3.95Å; I102-Y621 HydrophobicContact CD1-CD2 4.28Å; I102-Y621 HydrophobicContact CG1-CD2 4.46Å; I102-Y621 PolarHBondContact O-N 3.46Å; T122-Y621 WeakPolarHBondContact CB-O 3.31Å; L593-Y621 WeakPolarHBondContact CA-OH 3.41Å; L593-Y621 HydrophobicContact CB-CD2 4.17Å; L593-Y621 HydrophobicContact CB-CE1 4.14Å; L593-Y621 HydrophobicContact CB-CE2 3.66Å; L593-Y621 HydrophobicContact CD1-CD1 4.39Å; L593-Y621 HydrophobicContact CD2-CD1 4.04Å; L593-Y621 HydrophobicContact CD2-CE1 3.44Å; L593-Y621 VanDerWaalsContact CD2-CE1 3.44Å; L593-Y621 HydrophobicContact CG-CE1 4.2Å; L593-Y621 WeakPolarHBondContact O-CE2 3.44Å; L593-Y621 PolarHBondContact O-OH 3.35Å; R596-Y621 WeakPolarHBondContact CB-OH 3.43Å; L597-Y621 HydrophobicContact CB-CE2 4.01Å; Y621-M634 HydrophobicContact CD1-CB 3.98Å; Y621-A635 CarbonylContact C-O 3.51Å; Y621-A635 VanDerWaalsContact CA-O 3.27Å; Y621-A635 WeakPolarHBondContact CA-O 3.33Å; Y621-L636 HydrophobicContact CD1-CB 4.01Å; Y621-L636 HydrophobicContact CD2-CD1 4.23Å; Y621-L636 HydrophobicContact CE1-CB 3.53Å; Y621-L636 HydrophobicContact CE1-CD1 4.31Å; Y621-L636 HydrophobicContact CE1-CG 4.4Å; Y621-L636 HydrophobicContact CE2-CD1 3.83Å
622I92.5Very high84.4Confident0 Ų038 Ų380%018%0.184CC..EExtended strand (participates in β ladder)trans-116.9130172-55.3166000108I104 T122 I124 L155 I624 M634 A635 L637I104-I622 HydrophobicContact CD1-CD1 3.65Å; I104-I622 HydrophobicContact CD1-CG1 3.43Å; I104-I622 VanDerWaalsContact CD1-CG1 3.43Å; I104-I622 HydrophobicContact CG1-CG1 4.37Å; T122-I622 HydrophobicContact CG2-CG1 4.15Å; T122-I622 CarbonylContact O-C 3.59Å; T122-I622 VanDerWaalsContact O-CA 3.29Å; T122-I622 WeakPolarHBondContact O-CA 3.45Å; I124-I622 HydrophobicContact CB-CG2 4.35Å; L155-I622 HydrophobicContact CD1-CD1 4.33Å; L155-I622 HydrophobicContact CD2-CD1 4.35Å; I622-I624 HydrophobicContact CB-CG2 4.01Å; I622-I624 HydrophobicContact CG2-CG2 3.69Å; I622-I624 PolarHBondContact O-N 3.21Å; I622-M634 CarbonylContact O-C 3.52Å; I622-M634 WeakPolarHBondContact O-CA 3.42Å; I622-A635 PolarHBondContact N-O 3.42Å; I622-A635 PolarHBondContact O-N 3.46Å; I622-L637 HydrophobicContact CD1-CB 3.95Å; I622-L637 HydrophobicContact CD1-CD2 3.57Å; I622-L637 HydrophobicContact CD1-CG 4.4Å
623R91.6Very high86.2Confident54 Ų5431.2 Ų31.220%0.20415%0.153CC..EExtended strand (participates in β ladder)trans-76.8107.8165.5-173.317060.1-170.9-2108.6S119 T122 D123 I124 C633 M634S119-R623 PolarHBondContact OG-NH2 2.84Å; T122-R623 PolarHBondContact O-N 2.91Å; D123-R623 WeakPolarHBondContact OD1-CB 3.36Å; D123-R623 IonicContact OD1-CZ 3.58Å; D123-R623 IonicContact OD1-NE 3.65Å; D123-R623 PolarHBondContact OD1-NE 3.29Å; D123-R623 IonicContact OD1-NH2 2.9Å; D123-R623 PolarHBondContact OD1-NH2 3.45Å; D123-R623 IonicContact OD2-CZ 2.66Å; D123-R623 IonicContact OD2-NH2 2.76Å; D123-R623 PolarHBondContact OD2-NH2 2.97Å; I124-R623 PolarHBondContact N-O 3.02Å; R623-C633 CarbonylContact C-O 3.48Å; R623-C633 WeakPolarHBondContact CA-O 3.3Å; R623-C633 HydrophobicContact CG-CB 4.17Å; R623-M634 HydrophobicContact CB-SD 3.57Å; R623-M634 VanDerWaalsContact CB-SD 3.57Å; R623-M634 HydrophobicContact CG-SD 4.01Å
624I89.9Confident87.4Confident3 Ų323.9 Ų23.92%0.01512%0.122CC..  trans-104-20.3-173.457.3159.5000113.2Q151 I152 L155 V407 I622 C633 A635Q151-I624 PolarHBondContact NE2-O 3.17Å; Q151-I624 VanDerWaalsContact NE2-O 3.11Å; I152-I624 HydrophobicContact CD1-CD1 3.81Å; I152-I624 HydrophobicContact CG1-CD1 3.51Å; L155-I624 HydrophobicContact CD2-CG2 3.67Å; V407-I624 HydrophobicContact CG2-CD1 3.71Å; I622-I624 HydrophobicContact CB-CG2 4.01Å; I622-I624 HydrophobicContact CG2-CG2 3.69Å; I622-I624 PolarHBondContact O-N 3.21Å; I624-C633 VanDerWaalsContact CG1-O 3.31Å; I624-C633 WeakPolarHBondContact CG1-O 3.34Å; I624-C633 PolarHBondContact N-O 3.01Å; I624-A635 HydrophobicContact CD1-CB 3.74Å; I624-A635 HydrophobicContact CG1-CB 3.92Å; I624-A635 HydrophobicContact CG2-CB 3.89Å
625F89.2Confident88.5Confident5 Ų522 Ų222%0.02211%0.112CC..SBendtrans-117.6158179.6-52.1-37.8000111.6Y147 E148 Q151 I152 L381 V407 R632 C633Y147-F625 HydrophobicContact CE1-CB 3.98Å; Y147-F625 HydrophobicContact CE1-CD1 4.26Å; Y147-F625 HydrophobicContact CE1-CG 4.49Å; E148-F625 VanDerWaalsContact CA-CE1 3.48Å; E148-F625 HydrophobicContact CB-CD1 4.42Å; E148-F625 HydrophobicContact CB-CE1 3.78Å; E148-F625 HydrophobicContact CB-CE2 4.33Å; E148-F625 HydrophobicContact CB-CZ 3.71Å; E148-F625 HydrophobicContact CG-CD1 4.13Å; E148-F625 HydrophobicContact CG-CD2 4.11Å; E148-F625 HydrophobicContact CG-CE1 3.9Å; E148-F625 HydrophobicContact CG-CE2 3.87Å; E148-F625 HydrophobicContact CG-CG 4.25Å; E148-F625 HydrophobicContact CG-CZ 3.74Å; E148-F625 WeakPolarHBondContact O-CE1 2.88Å; Q151-F625 HydrophobicContact CB-CD1 3.9Å; Q151-F625 HydrophobicContact CB-CE1 3.88Å; Q151-F625 HydrophobicContact CG-CD1 4.26Å; I152-F625 HydrophobicContact CD1-CE1 4.12Å; I152-F625 HydrophobicContact CD1-CZ 3.51Å; I152-F625 HydrophobicContact CG1-CE1 3.89Å; I152-F625 HydrophobicContact CG1-CZ 3.8Å; L381-F625 HydrophobicContact CD1-CE2 4.01Å; L381-F625 HydrophobicContact CD1-CZ 3.87Å; V407-F625 HydrophobicContact CG1-CE2 4.39Å; F625-R632 WeakPolarHBondContact CD2-O 3.46Å; F625-C633 HydrophobicContact CB-CB 3.77Å; F625-C633 VanDerWaalsContact O-CB 3.31Å; F625-C633 WeakPolarHBondContact O-CB 3.24Å
626D85.4Confident89.3Confident61 Ų6121.1 Ų21.133%0.32611%0.106SC..  trans-68.1125.2166.7175.2-74000108Y147 V628 L629 S630Y147-D626 HydrophobicContact CE1-CB 4.13Å; Y147-D626 PolarHBondContact OH-N 3Å; D626-V628 VanDerWaalsContact C-N 3.26Å; D626-V628 PolarHBondContact O-N 3.13Å; D626-V628 VanDerWaalsContact OD1-CA 3.3Å; D626-V628 WeakPolarHBondContact OD1-CA 3.48Å; D626-V628 VanDerWaalsContact OD1-CB 3.26Å; D626-V628 WeakPolarHBondContact OD1-CB 3.33Å; D626-V628 PolarHBondContact OD1-N 2.87Å; D626-L629 HydrophobicContact CB-CB 4.15Å; D626-L629 HydrophobicContact CB-CD1 4.11Å; D626-L629 HydrophobicContact CB-CG 4.23Å; D626-L629 PolarHBondContact O-N 3.19Å; D626-L629 PolarHBondContact OD1-N 2.94Å; D626-S630 CarbonylContact O-C 3.57Å; D626-S630 WeakPolarHBondContact O-CA 3.38Å; D626-S630 PolarHBondContact O-N 3.15Å
627P85.2Confident89.7Confident20 Ų2020.7 Ų20.713%0.1311%0.105CC..THydrogen-bonded Turntrans-68.3-20.1-175.526.4-35.2000114S453 L455 P631S453-P627 PolarHBondContact OG-O 3.09Å; L455-P627 HydrophobicContact CD1-CB 3.96Å; L455-P627 HydrophobicContact CD1-CG 3.38Å; P627-P631 WeakPolarHBondContact O-CA 3.45Å; P627-P631 WeakPolarHBondContact O-CG 3.35Å
628V84.7Confident90.1Very high52 Ų5218.3 Ų18.332%0.3159%0.093SC..THydrogen-bonded Turntrans-78.8-45.7175.3-178.50000110.3L455 D626L455-V628 HydrophobicContact CB-CG2 3.94Å; D626-V628 VanDerWaalsContact C-N 3.26Å; D626-V628 PolarHBondContact O-N 3.13Å; D626-V628 VanDerWaalsContact OD1-CA 3.3Å; D626-V628 WeakPolarHBondContact OD1-CA 3.48Å; D626-V628 VanDerWaalsContact OD1-CB 3.26Å; D626-V628 WeakPolarHBondContact OD1-CB 3.33Å; D626-V628 PolarHBondContact OD1-N 2.87Å
629L83.2Confident90.2Very high98 Ų9817.2 Ų17.251%0.5139%0.089SC..THydrogen-bonded Turntrans-73.9-43.2179.3-64.1177.8000112.3K144 D626K144-L629 WeakPolarHBondContact CD-O 3.46Å; D626-L629 HydrophobicContact CB-CB 4.15Å; D626-L629 HydrophobicContact CB-CD1 4.11Å; D626-L629 HydrophobicContact CB-CG 4.23Å; D626-L629 PolarHBondContact O-N 3.19Å; D626-L629 PolarHBondContact OD1-N 2.94Å
630S86.2Confident90.1Very high0 Ų017.3 Ų17.30%09%0.089CC..  trans-136.692.8175.1-165.30000111.9K144 E148 D626 R632 C633K144-S630 VanDerWaalsContact CE-OG 3.28Å; K144-S630 WeakPolarHBondContact CE-OG 3.3Å; E148-S630 WeakPolarHBondContact OE1-CB 3.31Å; E148-S630 PolarHBondContact OE1-OG 3.04Å; D626-S630 CarbonylContact O-C 3.57Å; D626-S630 WeakPolarHBondContact O-CA 3.38Å; D626-S630 PolarHBondContact O-N 3.15Å; S630-R632 PolarHBondContact O-N 3.19Å; S630-C633 WeakPolarHBondContact O-CB 3.44Å
631P83.3Confident89.4Confident8 Ų819.8 Ų19.85%0.05210%0.103CC..SBendtrans-58-26-176.2-28.235.1000115.3H452 P627 C633H452-P631 HydrophobicContact CB-CB 4.33Å; H452-P631 HydrophobicContact CB-CG 4.03Å; P627-P631 WeakPolarHBondContact O-CA 3.45Å; P627-P631 WeakPolarHBondContact O-CG 3.35Å; P631-C633 PolarHBondContact O-N 2.84Å
632R88.6Confident87.8Confident19 Ų1922.6 Ų22.67%0.07212%0.117CC..  trans-87.367176.8-57.2-71.5133.6-120.434.1108.2V407 C409 A449 C450 Q451 E589 F625 S630V407-R632 WeakPolarHBondContact CG1-O 3.46Å; C409-R632 HydrophobicContact CB-CB 4.1Å; C409-R632 HydrophobicContact CB-CG 3.79Å; A449-R632 PolarHBondContact O-NH2 3.3Å; C450-R632 PolarHBondContact O-NE 3.3Å; C450-R632 PolarHBondContact O-NH2 3.24Å; C450-R632 VanDerWaalsContact O-NH2 3.08Å; Q451-R632 VanDerWaalsContact O-CZ 3.31Å; Q451-R632 PolarHBondContact O-NH2 2.99Å; E589-R632 IonicContact OE1-CZ 3.17Å; E589-R632 IonicContact OE1-NH1 2.77Å; E589-R632 PolarHBondContact OE1-NH1 3.49Å; E589-R632 IonicContact OE1-NH2 2.69Å; E589-R632 IonicContact OE2-CZ 3.77Å; E589-R632 IonicContact OE2-NH1 3.14Å; E589-R632 PolarHBondContact OE2-NH1 3.03Å; E589-R632 IonicContact OE2-NH2 3.97Å; E589-R632 PolarHBondContact OE2-NH2 3.45Å; E589-R632 VanDerWaalsContact OE2-NH2 3.17Å; F625-R632 WeakPolarHBondContact CD2-O 3.46Å; S630-R632 PolarHBondContact O-N 3.19Å
633C90.2Very high85.8Confident11 Ų1130.3 Ų30.37%0.07415%0.153CC..  trans-97.3-8.2-164.658.30000115.5R623 I624 F625 S630 P631R623-C633 CarbonylContact C-O 3.48Å; R623-C633 WeakPolarHBondContact CA-O 3.3Å; R623-C633 HydrophobicContact CG-CB 4.17Å; I624-C633 VanDerWaalsContact CG1-O 3.31Å; I624-C633 WeakPolarHBondContact CG1-O 3.34Å; I624-C633 PolarHBondContact N-O 3.01Å; F625-C633 HydrophobicContact CB-CB 3.77Å; F625-C633 VanDerWaalsContact O-CB 3.31Å; F625-C633 WeakPolarHBondContact O-CB 3.24Å; S630-C633 WeakPolarHBondContact O-CB 3.44Å; P631-C633 PolarHBondContact O-N 2.84Å
634M93.9Very high83.3Confident23 Ų2333.4 Ų33.411%0.11317%0.171CC..EExtended strand (participates in β ladder)trans-93.9124.8-176.1-58.4-59.8-8300110.8L593 Y621 I622 R623L593-M634 HydrophobicContact CD1-CB 3.94Å; L593-M634 HydrophobicContact CD1-CG 3.88Å; L593-M634 HydrophobicContact CD2-CB 4.48Å; Y621-M634 HydrophobicContact CD1-CB 3.98Å; I622-M634 CarbonylContact O-C 3.52Å; I622-M634 WeakPolarHBondContact O-CA 3.42Å; R623-M634 HydrophobicContact CB-SD 3.57Å; R623-M634 VanDerWaalsContact CB-SD 3.57Å; R623-M634 HydrophobicContact CG-SD 4.01Å
635A95.5Very high80.8Confident0 Ų036.2 Ų36.20%018%0.182CC..EExtended strand (participates in β ladder)trans-109.2123.5175.300000110.3L405 L406 V407 Y621 I622 I624 L637L405-A635 HydrophobicContact CD1-CB 3.94Å; L406-A635 CarbonylContact O-C 3.37Å; L406-A635 WeakPolarHBondContact O-CA 3.42Å; V407-A635 HydrophobicContact CG2-CB 3.78Å; Y621-A635 CarbonylContact C-O 3.51Å; Y621-A635 VanDerWaalsContact CA-O 3.27Å; Y621-A635 WeakPolarHBondContact CA-O 3.33Å; I622-A635 PolarHBondContact N-O 3.42Å; I622-A635 PolarHBondContact O-N 3.46Å; I624-A635 HydrophobicContact CD1-CB 3.74Å; I624-A635 HydrophobicContact CG1-CB 3.92Å; I624-A635 HydrophobicContact CG2-CB 3.89Å; A635-L637 PolarHBondContact O-N 3.05Å
636L96.5Very high78.3Confident1 Ų143.5 Ų43.51%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-73.3117.5169.6177.658.7000108.8I392 L404 L405 L406 L597 L600 Y621 V638I392-L636 HydrophobicContact CD1-CD2 4.29Å; L404-L636 HydrophobicContact CD2-CD2 4.14Å; L405-L636 CarbonylContact C-O 3.57Å; L405-L636 WeakPolarHBondContact CA-O 3.24Å; L406-L636 HydrophobicContact CB-CB 4.3Å; L406-L636 HydrophobicContact CD2-CD2 4.48Å; L406-L636 PolarHBondContact N-O 3.18Å; L406-L636 PolarHBondContact O-N 2.86Å; L597-L636 HydrophobicContact CD1-CD1 3.99Å; L600-L636 HydrophobicContact CD1-CD1 4.38Å; L600-L636 HydrophobicContact CD1-CD2 3.63Å; L600-L636 HydrophobicContact CD1-CG 4.36Å; Y621-L636 HydrophobicContact CD1-CB 4.01Å; Y621-L636 HydrophobicContact CD2-CD1 4.23Å; Y621-L636 HydrophobicContact CE1-CB 3.53Å; Y621-L636 HydrophobicContact CE1-CD1 4.31Å; Y621-L636 HydrophobicContact CE1-CG 4.4Å; Y621-L636 HydrophobicContact CE2-CD1 3.83Å; L636-V638 HydrophobicContact CD1-CG2 3.91Å; L636-V638 HydrophobicContact CG-CG2 4.12Å
637L94.9Very high75.7Confident0 Ų048.1 Ų48.10%024%0.238CC..EExtended strand (participates in β ladder)trans-110.7125.8172.2177.765.5000109.2I104 F110 I159 I403 L404 L405 S619 G620 I622 A635I104-L637 HydrophobicContact CD1-CB 4.18Å; I104-L637 HydrophobicContact CD1-CD2 3.98Å; F110-L637 HydrophobicContact CD1-CD2 4.28Å; F110-L637 HydrophobicContact CD2-CD2 4.17Å; F110-L637 HydrophobicContact CE1-CD2 4.13Å; F110-L637 HydrophobicContact CE2-CD2 4.03Å; F110-L637 HydrophobicContact CG-CD2 4.32Å; F110-L637 HydrophobicContact CZ-CD2 4.04Å; I159-L637 HydrophobicContact CD1-CD1 3.9Å; I403-L637 HydrophobicContact CG2-CD1 3.87Å; L404-L637 WeakPolarHBondContact O-CA 3.11Å; L405-L637 HydrophobicContact CD1-CD1 4.38Å; S619-L637 WeakPolarHBondContact CA-O 3.44Å; G620-L637 PolarHBondContact N-O 3.45Å; G620-L637 PolarHBondContact O-N 3.26Å; I622-L637 HydrophobicContact CD1-CB 3.95Å; I622-L637 HydrophobicContact CD1-CD2 3.57Å; I622-L637 HydrophobicContact CD1-CG 4.4Å; A635-L637 PolarHBondContact O-N 3.05Å
638V93.6Very high73.2Confident0 Ų056.5 Ų56.50%028%0.281CS..EExtended strand (participates in β ladder)trans-135.8129.8172.8-170.80000110F395 I403 L404 L600 Y616 Y618 L636F395-V638 HydrophobicContact CE1-CB 4.08Å; F395-V638 HydrophobicContact CE1-CG1 3.72Å; F395-V638 HydrophobicContact CZ-CB 4.06Å; F395-V638 HydrophobicContact CZ-CG1 3.82Å; I403-V638 CarbonylContact C-O 3.53Å; I403-V638 VanDerWaalsContact CA-O 3.31Å; I403-V638 WeakPolarHBondContact CA-O 3.5Å; L404-V638 HydrophobicContact CB-CB 4.27Å; L404-V638 PolarHBondContact N-O 2.67Å; L404-V638 PolarHBondContact O-N 3.38Å; L600-V638 HydrophobicContact CD1-CG2 3.88Å; Y616-V638 HydrophobicContact CD1-CG1 3.4Å; Y616-V638 HydrophobicContact CD2-CG1 3.72Å; Y616-V638 HydrophobicContact CE1-CG1 3.73Å; Y616-V638 HydrophobicContact CE2-CG1 4.02Å; Y616-V638 HydrophobicContact CG-CG1 3.4Å; Y618-V638 CarbonylContact O-C 3.55Å; Y618-V638 VanDerWaalsContact O-CA 3.28Å; Y618-V638 WeakPolarHBondContact O-CA 3.36Å; L636-V638 HydrophobicContact CD1-CG2 3.91Å; L636-V638 HydrophobicContact CG-CG2 4.12Å
639C91.3Very high72.6Confident0 Ų056.8 Ų56.80%028%0.279CS..EExtended strand (participates in β ladder)trans-123.5123.4179.2-60.70000110.1F163 Y616 Q617 Y618F163-C639 HydrophobicContact CZ-CB 4.28Å; Y616-C639 WeakPolarHBondContact CB-O 3.36Å; Q617-C639 HydrophobicContact CB-CB 4.35Å; Q617-C639 PolarHBondContact N-O 3.4Å; Y618-C639 HydrophobicContact CD2-CB 3.96Å; Y618-C639 PolarHBondContact O-N 2.99Å
640K88.3Confident72Confident4 Ų454.6 Ų54.62%0.01727%0.267CS..  trans-68.7151.6174.8-66.2179.1-178167.90111F395 D398 A401 Q402 Y616 M642F395-K640 HydrophobicContact CE2-CD 4.43Å; F395-K640 HydrophobicContact CE2-CG 4.26Å; F395-K640 HydrophobicContact CZ-CD 4.3Å; F395-K640 HydrophobicContact CZ-CG 3.78Å; F395-K640 WeakPolarHBondContact O-CE 3.3Å; F395-K640 PolarHBondContact O-NZ 3.43Å; D398-K640 PolarHBondContact O-NZ 2.69Å; A401-K640 WeakPolarHBondContact O-CD 3.44Å; A401-K640 WeakPolarHBondContact O-CE 3.24Å; A401-K640 PolarHBondContact O-NZ 3.38Å; Q402-K640 PolarHBondContact O-N 3.49Å; Y616-K640 HydrophobicContact CD1-CG 4.35Å; Y616-K640 HydrophobicContact CE1-CG 4.39Å; K640-M642 PolarHBondContact O-N 3.32Å
641N77.9Confident71.2Confident52 Ų5257.6 Ų57.628%0.27828%0.282SS..  trans-70.8112.2170.9-70.1-32000109.4Q617 E643 M644Q617-N641 WeakPolarHBondContact CA-OD1 3.45Å; Q617-N641 VanDerWaalsContact CB-OD1 3.23Å; Q617-N641 WeakPolarHBondContact CB-OD1 3.4Å; Q617-N641 PolarHBondContact N-OD1 3.48Å; N641-E643 VanDerWaalsContact C-N 3.29Å; N641-E643 PolarHBondContact O-N 3.46Å; N641-M644 HydrophobicContact CB-CG 4.47Å
642M61.4Low70.5Confident64 Ų6460.5 Ų60.532%0.31530%0.295SS..G310 helixtrans-65.3-29.1-179.9-77.9-96.6-99.400113.1F163 K640 M644 Y645F163-M642 HydrophobicContact CD1-CE 4.14Å; F163-M642 HydrophobicContact CE1-CE 4.39Å; F163-M642 HydrophobicContact CE1-CG 4.22Å; K640-M642 PolarHBondContact O-N 3.32Å; M642-M644 PolarHBondContact O-N 3.17Å; M642-Y645 PolarHBondContact O-N 3.32Å
643E51.5Low69.4Low162 Ų16263.1 Ų63.176%0.75731%0.309SS*.G310 helixtrans-62.7-27.6-177.4-69.9-178.2173.900113.5N641 Y645N641-E643 VanDerWaalsContact C-N 3.29Å; N641-E643 PolarHBondContact O-N 3.46Å; E643-Y645 PolarHBondContact O-N 3.43Å
644M38.7Very low68Low119 Ų11966.6 Ų66.659%0.58633%0.325SS*.G310 helixtrans-70.5-15.8-177.6-73.5-173.471.200114.4N641 M642N641-M644 HydrophobicContact CB-CG 4.47Å; M642-M644 PolarHBondContact O-N 3.17Å
645Y38.4Very low66.2Low62 Ų6269.7 Ų69.724%0.24334%0.34CS..G310 helixtrans-98.26.1-174.7-67.4-76000113.7N399 R604 M642 E643N399-Y645 HydrophobicContact CB-CE1 4Å; N399-Y645 PolarHBondContact OD1-OH 2.85Å; R604-Y645 PolarHBondContact NH2-OH 3.12Å; M642-Y645 PolarHBondContact O-N 3.32Å; E643-Y645 PolarHBondContact O-N 3.43Å
646K35.7Very low63.9Low157 Ų15775.1 Ų75.168%0.68337%0.366SS*.SBendtrans-80.9-17.2173.6-77.4-172.3176.6-179.70114
647D31.3Very low61.2Low158 Ų15881.3 Ų81.385%0.84540%0.396SS*.  trans-105.812.7-176.4-66.8-24.1000114
648L31.2Very low58.1Low197 Ų19788.6 Ų88.6100%1.03143%0.432SS*.  trans-114.70169.7-85.5157.2000109.1

Retrieved 648 of 648 residues in 251.8 ms (Link to these results)

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