TDRD5_HUMAN Loading...

Tudor domain-containing protein 5

Required during spermiogenesis to participate in the repression transposable elements and prevent their mobilization, which is essential for the germline integrity. Probably acts via the piRNA metabolic process, which mediates the repression of transposable elements during meiosis by forming complexes composed of piRNAs and Piwi proteins and govern the methylation and subsequent repression of transposons. Required for chromatoid body (CB) assembly (By similarity).

AlphaFold DB , UniProt , Accession Q8NAT2, Species HUMAN (Homo sapiens, Human), Gene TDRD5, Length 981 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
1M52Low80.2Confident155 Ų15563.6 Ų63.676%0.76430%0.304SS*.  01150-170.2-175.6-81.100109.8E5 R6M1-E5 VanDerWaalsContact C-OE2 3.26Å; M1-E5 WeakPolarHBondContact CA-OE2 3.47Å; M1-E5 HydrophobicContact CG-CB 3.74Å; M1-E5 WeakPolarHBondContact CG-OE2 3.49Å; M1-R6 HydrophobicContact CG-CG 3.99Å; M1-R6 HydrophobicContact SD-CG 3.49Å; M1-R6 WeakPolarHBondContact SD-CG 3.48Å
2S70.4Confident81.4Confident10 Ų1061.3 Ų61.37%0.0729%0.29CS..  trans-73.7174.4178.681.40000111.8E5 R6 E538S2-E5 PolarHBondContact N-OE2 2.76Å; S2-E5 WeakPolarHBondContact OG-CG 3.18Å; S2-E5 PolarHBondContact OG-N 2.62Å; S2-R6 WeakPolarHBondContact O-CG 3.39Å; S2-R6 PolarHBondContact O-N 2.75Å; S2-E538 WeakPolarHBondContact CB-O 2.91Å; S2-E538 PolarHBondContact OG-O 2.74Å
3E70.6Confident82.3Confident56 Ų5665.6 Ų65.626%0.26231%0.307SS..Hα-helixtrans-76.6-35.8177.3-179.6153-129.100111.2E5 R6 I7 K945 R950E3-E5 VanDerWaalsContact C-N 3.3Å; E3-E5 PolarHBondContact O-N 3.3Å; E3-R6 PolarHBondContact O-N 3.2Å; E3-I7 HydrophobicContact CG-CD1 3.97Å; E3-I7 HydrophobicContact CG-CG1 4.44Å; E3-I7 WeakPolarHBondContact O-CG1 3.48Å; E3-I7 PolarHBondContact O-N 3.3Å; E3-K945 VanDerWaalsContact N-CE 3.28Å; E3-R950 IonicContact OE1-CZ 2.84Å; E3-R950 VanDerWaalsContact OE1-CZ 3.23Å; E3-R950 IonicContact OE1-NH1 3.88Å; E3-R950 PolarHBondContact OE1-NH1 3.42Å; E3-R950 IonicContact OE1-NH2 2.68Å; E3-R950 PolarHBondContact OE1-NH2 3.08Å; E3-R950 IonicContact OE2-CZ 2.64Å; E3-R950 IonicContact OE2-NH1 2.67Å; E3-R950 PolarHBondContact OE2-NH1 3.1Å
4Q75.1Confident83.2Confident24 Ų2464.3 Ų64.311%0.11230%0.301CS..Hα-helixtrans-60.9-39.5172.3-168.9179.6100111.6I7 Q8 L48 W541Q4-I7 PolarHBondContact O-N 2.81Å; Q4-Q8 WeakPolarHBondContact O-CB 3.42Å; Q4-Q8 PolarHBondContact O-N 2.96Å; Q4-L48 HydrophobicContact CG-CD2 3.72Å; Q4-L48 PolarHBondContact NE2-O 2.92Å; Q4-W541 VanDerWaalsContact OE1-CD1 3.24Å; Q4-W541 VanDerWaalsContact OE1-NE1 3.15Å
5E81.5Confident84Confident98 Ų9860 Ų6046%0.45828%0.281SS..Hα-helixtrans-62.6-43.4172.8-73.6176.9151.300112.4M1 S2 E3 I7 Q8 E9M1-E5 VanDerWaalsContact C-OE2 3.26Å; M1-E5 WeakPolarHBondContact CA-OE2 3.47Å; M1-E5 HydrophobicContact CG-CB 3.74Å; M1-E5 WeakPolarHBondContact CG-OE2 3.49Å; S2-E5 PolarHBondContact N-OE2 2.76Å; S2-E5 WeakPolarHBondContact OG-CG 3.18Å; S2-E5 PolarHBondContact OG-N 2.62Å; E3-E5 VanDerWaalsContact C-N 3.3Å; E3-E5 PolarHBondContact O-N 3.3Å; E5-I7 PolarHBondContact O-N 3.38Å; E5-Q8 PolarHBondContact O-N 3.41Å; E5-E9 VanDerWaalsContact O-CB 3.28Å; E5-E9 WeakPolarHBondContact O-CB 3.28Å; E5-E9 PolarHBondContact O-N 3.37Å
6R86Confident84.7Confident155 Ų15558.1 Ų58.159%0.58527%0.27SS*.Hα-helixtrans-60.6-44.4175.8-73.2174.7178.4176.9-0.9112M1 S2 E3 C10M1-R6 HydrophobicContact CG-CG 3.99Å; M1-R6 HydrophobicContact SD-CG 3.49Å; M1-R6 WeakPolarHBondContact SD-CG 3.48Å; S2-R6 WeakPolarHBondContact O-CG 3.39Å; S2-R6 PolarHBondContact O-N 2.75Å; E3-R6 PolarHBondContact O-N 3.2Å; R6-C10 WeakPolarHBondContact O-CB 3.44Å; R6-C10 PolarHBondContact O-N 2.94Å
7I85.4Confident85.2Confident43 Ų4358.9 Ų58.922%0.22128%0.284CS..Hα-helixtrans-67.1-44.9178.2-62.9165.8000110.1E3 Q4 E5 E9 C10 L11 P44 I47 L48E3-I7 HydrophobicContact CG-CD1 3.97Å; E3-I7 HydrophobicContact CG-CG1 4.44Å; E3-I7 WeakPolarHBondContact O-CG1 3.48Å; E3-I7 PolarHBondContact O-N 3.3Å; Q4-I7 PolarHBondContact O-N 2.81Å; E5-I7 PolarHBondContact O-N 3.38Å; I7-E9 PolarHBondContact O-N 2.96Å; I7-C10 PolarHBondContact O-N 3.35Å; I7-L11 VanDerWaalsContact O-CB 3.26Å; I7-L11 WeakPolarHBondContact O-CB 3.42Å; I7-L11 PolarHBondContact O-N 3.11Å; I7-P44 HydrophobicContact CG2-CG 4.21Å; I7-I47 HydrophobicContact CD1-CG2 4.38Å; I7-L48 HydrophobicContact CB-CD2 4.04Å; I7-L48 HydrophobicContact CG2-CD1 4.22Å; I7-L48 HydrophobicContact CG2-CD2 3.75Å; I7-L48 HydrophobicContact CG2-CG 4.11Å
8Q86.7Confident85.7Confident16 Ų1656.2 Ų56.28%0.07527%0.271CS..Hα-helixtrans-64.2-40.7178.6-169.1168.614.600111.2Q4 E5 L11 R12 L48 Y50 D59Q4-Q8 WeakPolarHBondContact O-CB 3.42Å; Q4-Q8 PolarHBondContact O-N 2.96Å; E5-Q8 PolarHBondContact O-N 3.41Å; Q8-L11 PolarHBondContact O-N 3.22Å; Q8-R12 HydrophobicContact CG-CG 4.43Å; Q8-R12 WeakPolarHBondContact O-CB 3.31Å; Q8-R12 WeakPolarHBondContact O-CG 3.32Å; Q8-R12 PolarHBondContact O-N 2.87Å; Q8-L48 HydrophobicContact CB-CD1 4.43Å; Q8-L48 HydrophobicContact CB-CD2 4.32Å; Q8-Y50 PolarHBondContact NE2-OH 3.23Å; Q8-Y50 VanDerWaalsContact NE2-OH 3.14Å; Q8-D59 PolarHBondContact NE2-OD2 3.18Å
9E89.4Confident86.2Confident77 Ų7753.6 Ų53.636%0.3626%0.259SS..Hα-helixtrans-69.5-35.1178.5178.653.7-160.300113.3E5 I7 K13E5-E9 VanDerWaalsContact O-CB 3.28Å; E5-E9 WeakPolarHBondContact O-CB 3.28Å; E5-E9 PolarHBondContact O-N 3.37Å; I7-E9 PolarHBondContact O-N 2.96Å; E9-K13 PolarHBondContact O-N 3.17Å; E9-K13 WeakPolarHBondContact OE1-CE 3.26Å; E9-K13 IonicContact OE1-NZ 2.64Å; E9-K13 PolarHBondContact OE1-NZ 3.23Å
10C92Very high86.6Confident64 Ų6451.5 Ų51.543%0.43225%0.249SC..Hα-helixtrans-64.3-50.1171.1-154.60000110.6R6 I7 R12 K13 E14R6-C10 WeakPolarHBondContact O-CB 3.44Å; R6-C10 PolarHBondContact O-N 2.94Å; I7-C10 PolarHBondContact O-N 3.35Å; C10-R12 VanDerWaalsContact C-N 3.3Å; C10-R12 PolarHBondContact O-N 2.78Å; C10-K13 WeakPolarHBondContact O-CB 3.49Å; C10-K13 PolarHBondContact O-N 3.03Å; C10-E14 WeakPolarHBondContact O-CG 3.43Å; C10-E14 PolarHBondContact O-N 3.04Å; C10-E14 PolarHBondContact SG-OE1 2.84Å
11L93.4Very high86.9Confident2 Ų252.1 Ų52.11%0.0126%0.258CS..Hα-helixtrans-59.7-37.4179.9-177.663.2000113I7 Q8 K13 E14 I15 Y35 L43 P44 L48 L56I7-L11 VanDerWaalsContact O-CB 3.26Å; I7-L11 WeakPolarHBondContact O-CB 3.42Å; I7-L11 PolarHBondContact O-N 3.11Å; Q8-L11 PolarHBondContact O-N 3.22Å; L11-K13 VanDerWaalsContact C-N 3.31Å; L11-K13 PolarHBondContact O-N 3.44Å; L11-E14 PolarHBondContact O-N 3.48Å; L11-I15 HydrophobicContact CD1-CD1 3.74Å; L11-I15 HydrophobicContact CD1-CG1 3.96Å; L11-I15 HydrophobicContact CD2-CD1 4.31Å; L11-I15 HydrophobicContact CG-CD1 3.75Å; L11-I15 HydrophobicContact CG-CG1 4.29Å; L11-I15 WeakPolarHBondContact O-CB 2.89Å; L11-I15 WeakPolarHBondContact O-CG1 3.35Å; L11-I15 PolarHBondContact O-N 2.92Å; L11-Y35 HydrophobicContact CD1-CD2 4.3Å; L11-Y35 HydrophobicContact CD1-CE2 3.4Å; L11-Y35 VanDerWaalsContact CD1-CE2 3.4Å; L11-L43 HydrophobicContact CD1-CD2 3.79Å; L11-P44 HydrophobicContact CD1-CG 4.48Å; L11-P44 HydrophobicContact CD2-CG 3.94Å; L11-L48 HydrophobicContact CD2-CD1 3.31Å; L11-L56 HydrophobicContact CD2-CD1 3.76Å; L11-L56 HydrophobicContact CD2-CD2 4.02Å
12R94.1Very high88.7Confident35 Ų3546.1 Ų46.113%0.13223%0.231CC..Hα-helixtrans-61.9-38.7175.8-74171.698.884.99.3111.9Q8 C10 R16 D59 M60 D62 V63Q8-R12 HydrophobicContact CG-CG 4.43Å; Q8-R12 WeakPolarHBondContact O-CB 3.31Å; Q8-R12 WeakPolarHBondContact O-CG 3.32Å; Q8-R12 PolarHBondContact O-N 2.87Å; C10-R12 VanDerWaalsContact C-N 3.3Å; C10-R12 PolarHBondContact O-N 2.78Å; R12-R16 VanDerWaalsContact O-CB 3.27Å; R12-R16 WeakPolarHBondContact O-CB 3.21Å; R12-R16 PolarHBondContact O-N 3.01Å; R12-D59 PolarHBondContact NH1-O 3.47Å; R12-M60 HydrophobicContact CG-CE 4.3Å; R12-D62 IonicContact CZ-OD1 2.64Å; R12-D62 IonicContact CZ-OD2 3.71Å; R12-D62 IonicContact NE-OD2 3.14Å; R12-D62 IonicContact NH2-OD1 3.97Å; R12-D62 PolarHBondContact NH2-OD1 2.83Å; R12-D62 IonicContact NH2-OD2 2.7Å; R12-D62 PolarHBondContact NH2-OD2 3.17Å; R12-V63 HydrophobicContact CB-CG2 3.9Å; R12-V63 HydrophobicContact CG-CG2 3.94Å; R12-V63 WeakPolarHBondContact O-CG1 3.49Å
13K93.6Very high89.6Confident118 Ų11849 Ų4951%0.51324%0.242SC..Hα-helixtrans-71.1-41.2176.1-74.7161.8167.5140.70112.1E9 C10 L11 R16 S17E9-K13 PolarHBondContact O-N 3.17Å; E9-K13 WeakPolarHBondContact OE1-CE 3.26Å; E9-K13 IonicContact OE1-NZ 2.64Å; E9-K13 PolarHBondContact OE1-NZ 3.23Å; C10-K13 WeakPolarHBondContact O-CB 3.49Å; C10-K13 PolarHBondContact O-N 3.03Å; L11-K13 VanDerWaalsContact C-N 3.31Å; L11-K13 PolarHBondContact O-N 3.44Å; K13-R16 PolarHBondContact O-N 3.03Å; K13-S17 PolarHBondContact O-N 2.89Å; K13-S17 PolarHBondContact O-OG 3.12Å
14E94.4Very high90.4Very high47 Ų4751 Ų5122%0.2225%0.254CS..Hα-helixtrans-65.5-47.8177.3-69.1157.6-178.300111.9C10 L11 R16 S17 L18 Y35C10-E14 WeakPolarHBondContact O-CG 3.43Å; C10-E14 PolarHBondContact O-N 3.04Å; C10-E14 PolarHBondContact SG-OE1 2.84Å; L11-E14 PolarHBondContact O-N 3.48Å; E14-R16 VanDerWaalsContact C-N 3.33Å; E14-R16 PolarHBondContact O-N 2.65Å; E14-S17 PolarHBondContact O-N 2.95Å; E14-S17 PolarHBondContact O-OG 3.01Å; E14-L18 VanDerWaalsContact O-CG 3.3Å; E14-L18 WeakPolarHBondContact O-CG 3.38Å; E14-L18 PolarHBondContact O-N 2.86Å; E14-Y35 HydrophobicContact CB-CE2 4.04Å; E14-Y35 PolarHBondContact OE2-OH 2.64Å
15I95.4Very high91.2Very high0 Ų050.5 Ų50.50%026%0.256CS..Hα-helixtrans-64.6-37.9175.6-69.6175.7000111.1L11 L19 L31 L43 L56 M60 V63 V64L11-I15 HydrophobicContact CD1-CD1 3.74Å; L11-I15 HydrophobicContact CD1-CG1 3.96Å; L11-I15 HydrophobicContact CD2-CD1 4.31Å; L11-I15 HydrophobicContact CG-CD1 3.75Å; L11-I15 HydrophobicContact CG-CG1 4.29Å; L11-I15 WeakPolarHBondContact O-CB 2.89Å; L11-I15 WeakPolarHBondContact O-CG1 3.35Å; L11-I15 PolarHBondContact O-N 2.92Å; I15-L19 HydrophobicContact CG2-CD1 3.65Å; I15-L19 HydrophobicContact CG2-CG 4.33Å; I15-L19 WeakPolarHBondContact O-CB 3.35Å; I15-L19 WeakPolarHBondContact O-CG 3.45Å; I15-L19 PolarHBondContact O-N 3.18Å; I15-L31 HydrophobicContact CG2-CD2 4.32Å; I15-L43 HydrophobicContact CD1-CD2 4.1Å; I15-L43 HydrophobicContact CG1-CD2 4.41Å; I15-L56 HydrophobicContact CD1-CD2 3.89Å; I15-M60 HydrophobicContact CB-SD 4.49Å; I15-M60 HydrophobicContact CD1-CE 4.02Å; I15-M60 HydrophobicContact CD1-SD 4Å; I15-M60 HydrophobicContact CG2-SD 4.06Å; I15-V63 HydrophobicContact CB-CG1 4.48Å; I15-V63 HydrophobicContact CG2-CG1 4.11Å; I15-V64 HydrophobicContact CG2-CG2 3.7Å
16R95.4Very high91.8Very high30 Ų3046.2 Ų46.211%0.11324%0.236CC..Hα-helixtrans-61.8-45.7173.8-167.6176.7-76.21265.1111.4R12 K13 E14 I20 D62 V63 I79 D81R12-R16 VanDerWaalsContact O-CB 3.27Å; R12-R16 WeakPolarHBondContact O-CB 3.21Å; R12-R16 PolarHBondContact O-N 3.01Å; K13-R16 PolarHBondContact O-N 3.03Å; E14-R16 VanDerWaalsContact C-N 3.33Å; E14-R16 PolarHBondContact O-N 2.65Å; R16-I20 HydrophobicContact CG-CD1 3.76Å; R16-I20 HydrophobicContact CG-CG1 4.35Å; R16-I20 VanDerWaalsContact O-CB 3.32Å; R16-I20 WeakPolarHBondContact O-CB 3.43Å; R16-I20 WeakPolarHBondContact O-CG1 3.34Å; R16-I20 PolarHBondContact O-N 2.74Å; R16-D62 PolarHBondContact NH2-O 2.87Å; R16-V63 HydrophobicContact CB-CG1 4Å; R16-I79 PolarHBondContact NE-O 2.6Å; R16-D81 WeakPolarHBondContact CD-OD2 3.25Å; R16-D81 IonicContact CZ-OD2 3.07Å; R16-D81 VanDerWaalsContact CZ-OD2 3.28Å; R16-D81 IonicContact NE-OD2 3.92Å; R16-D81 PolarHBondContact NE-OD2 2.67Å; R16-D81 IonicContact NH1-OD2 3.33Å; R16-D81 PolarHBondContact NH1-OD2 2.87Å
17S93.8Very high92.1Very high72 Ų7239.8 Ų39.850%0.50322%0.215SC..Hα-helixtrans-67.3-42.7-17770.90000112.2K13 E14 I20 S21K13-S17 PolarHBondContact O-N 2.89Å; K13-S17 PolarHBondContact O-OG 3.12Å; E14-S17 PolarHBondContact O-N 2.95Å; E14-S17 PolarHBondContact O-OG 3.01Å; S17-I20 PolarHBondContact O-N 3.08Å; S17-S21 PolarHBondContact O-N 2.95Å; S17-S21 VanDerWaalsContact O-N 3.08Å
18L94.1Very high92.5Very high10 Ų1038.2 Ų38.25%0.05221%0.207CC..Hα-helixtrans-57.8-56.1173.8-68.2167.7000111.2E14 I20 S21 T22 L31 Y35 M38E14-L18 VanDerWaalsContact O-CG 3.3Å; E14-L18 WeakPolarHBondContact O-CG 3.38Å; E14-L18 PolarHBondContact O-N 2.86Å; L18-I20 PolarHBondContact O-N 3.05Å; L18-S21 WeakPolarHBondContact O-CB 3.23Å; L18-S21 PolarHBondContact O-N 3.3Å; L18-S21 PolarHBondContact O-OG 3.35Å; L18-T22 PolarHBondContact O-N 2.98Å; L18-L31 HydrophobicContact CB-CD1 4.44Å; L18-L31 HydrophobicContact CD1-CD1 4.28Å; L18-Y35 HydrophobicContact CD1-CD2 3.76Å; L18-Y35 HydrophobicContact CD1-CG 4.27Å; L18-M38 HydrophobicContact CD2-CB 3.79Å; L18-M38 HydrophobicContact CD2-CG 3.79Å
19L95.3Very high92.8Very high6 Ų643.4 Ų43.43%0.03123%0.232CC..Hα-helixtrans-71.4-12-177.4-66.2175.5000114.5I15 L26 L31 V64 L76 A78I15-L19 HydrophobicContact CG2-CD1 3.65Å; I15-L19 HydrophobicContact CG2-CG 4.33Å; I15-L19 WeakPolarHBondContact O-CB 3.35Å; I15-L19 WeakPolarHBondContact O-CG 3.45Å; I15-L19 PolarHBondContact O-N 3.18Å; L19-L26 HydrophobicContact CD2-CB 3.88Å; L19-L26 HydrophobicContact CD2-CD1 3.83Å; L19-L26 HydrophobicContact CD2-CG 3.86Å; L19-L31 HydrophobicContact CD1-CD2 4.49Å; L19-L31 HydrophobicContact CD2-CD1 4.22Å; L19-L31 HydrophobicContact CG-CD1 4.24Å; L19-V64 HydrophobicContact CD1-CB 4.35Å; L19-V64 HydrophobicContact CD1-CG1 3.89Å; L19-V64 HydrophobicContact CD1-CG2 3.63Å; L19-L76 HydrophobicContact CD1-CB 4.21Å; L19-L76 HydrophobicContact CD2-CB 4Å; L19-A78 HydrophobicContact CB-CB 3.81Å; L19-A78 WeakPolarHBondContact O-CB 3.34Å
20I94Very high93Very high12 Ų1244.2 Ų44.26%0.06224%0.235CC..Hα-helixtrans-84.3-31.4167.9-75.2-178.2000111.4R16 S17 L18 T22 A78 P80 T84 I87 A88 V91R16-I20 HydrophobicContact CG-CD1 3.76Å; R16-I20 HydrophobicContact CG-CG1 4.35Å; R16-I20 VanDerWaalsContact O-CB 3.32Å; R16-I20 WeakPolarHBondContact O-CB 3.43Å; R16-I20 WeakPolarHBondContact O-CG1 3.34Å; R16-I20 PolarHBondContact O-N 2.74Å; S17-I20 PolarHBondContact O-N 3.08Å; L18-I20 PolarHBondContact O-N 3.05Å; I20-T22 VanDerWaalsContact C-N 3.29Å; I20-T22 PolarHBondContact O-N 2.85Å; I20-A78 HydrophobicContact CB-CB 4.39Å; I20-A78 HydrophobicContact CD1-CB 4.24Å; I20-A78 HydrophobicContact CG1-CB 3.32Å; I20-P80 HydrophobicContact CD1-CB 4.01Å; I20-T84 VanDerWaalsContact CD1-CB 3.45Å; I20-T84 HydrophobicContact CD1-CG2 4.11Å; I20-T84 WeakPolarHBondContact CD1-OG1 3.31Å; I20-I87 HydrophobicContact CG2-CB 4.11Å; I20-I87 HydrophobicContact CG2-CG2 3.65Å; I20-A88 HydrophobicContact CG2-CB 4.33Å; I20-V91 WeakPolarHBondContact O-CG1 3.3Å; I20-V91 WeakPolarHBondContact O-CG2 3.5Å
21S92.1Very high93.1Very high64 Ų6441.1 Ų41.145%0.44822%0.215SC..Hα-helixtrans-67.2-30.3177.979.20000112.8S17 L18S17-S21 PolarHBondContact O-N 2.95Å; S17-S21 VanDerWaalsContact O-N 3.08Å; L18-S21 WeakPolarHBondContact O-CB 3.23Å; L18-S21 PolarHBondContact O-N 3.3Å; L18-S21 PolarHBondContact O-OG 3.35Å
22T90.4Very high93.1Very high30 Ų3044.9 Ų44.918%0.18423%0.232CC..  trans-10095.9-175.2570000112.2L18 I20 D24 G25 L26L18-T22 PolarHBondContact O-N 2.98Å; I20-T22 VanDerWaalsContact C-N 3.29Å; I20-T22 PolarHBondContact O-N 2.85Å; T22-D24 VanDerWaalsContact C-N 3.29Å; T22-D24 PolarHBondContact O-N 3.4Å; T22-D24 VanDerWaalsContact O-N 3.12Å; T22-G25 PolarHBondContact O-N 2.91Å; T22-L26 HydrophobicContact CG2-CD2 3.84Å; T22-L26 HydrophobicContact CG2-CG 4.27Å
23K88.8Confident93.1Very high71 Ų7149.8 Ų49.831%0.30926%0.255SS..THydrogen-bonded Turntrans-42.1-49.3-178.1170.9173.3168.9139.50114.8G25 K77 V91 A92 Q94K23-G25 VanDerWaalsContact C-N 3.34Å; K23-K77 PolarHBondContact O-NZ 3.5Å; K23-V91 HydrophobicContact CB-CG1 3.8Å; K23-A92 PolarHBondContact NZ-O 2.87Å; K23-Q94 HydrophobicContact CD-CB 4.41Å; K23-Q94 PolarHBondContact NZ-O 2.84Å
24D87.8Confident93Very high96 Ų9647 Ų4751%0.51324%0.244SC..THydrogen-bonded Turntrans-88.6-3.5-172.6-68.9-55.6000113.4T22 I75 K77T22-D24 VanDerWaalsContact C-N 3.29Å; T22-D24 PolarHBondContact O-N 3.4Å; T22-D24 VanDerWaalsContact O-N 3.12Å; D24-I75 VanDerWaalsContact O-CG2 3.3Å; D24-I75 WeakPolarHBondContact O-CG2 3.45Å; D24-K77 WeakPolarHBondContact O-CE 3.37Å; D24-K77 PolarHBondContact O-NZ 3.34Å
25G91.7Very high93Very high15 Ų1545.4 Ų45.416%0.15524%0.235CC..  trans83.8173.5-176.600000113.1T22 K23 L76T22-G25 PolarHBondContact O-N 2.91Å; K23-G25 VanDerWaalsContact C-N 3.34Å; G25-L76 CarbonylContact C-O 3.54Å; G25-L76 WeakPolarHBondContact CA-O 3.44Å
26L93.6Very high92.9Very high7 Ų748.3 Ų48.34%0.03725%0.251CS..BIsolated β-bridgetrans-119.9147.4-178.1-62.7-178000111.3L19 T22 E30 L31 E34 L76L19-L26 HydrophobicContact CD2-CB 3.88Å; L19-L26 HydrophobicContact CD2-CD1 3.83Å; L19-L26 HydrophobicContact CD2-CG 3.86Å; T22-L26 HydrophobicContact CG2-CD2 3.84Å; T22-L26 HydrophobicContact CG2-CG 4.27Å; L26-E30 HydrophobicContact CB-CB 4.13Å; L26-E30 HydrophobicContact CD2-CB 4.07Å; L26-L31 HydrophobicContact CB-CB 4.35Å; L26-L31 HydrophobicContact CD1-CB 4.13Å; L26-L31 HydrophobicContact CD1-CD1 4.14Å; L26-E34 HydrophobicContact CD1-CB 4.35Å; L26-E34 HydrophobicContact CD1-CG 4.45Å; L26-E34 WeakPolarHBondContact CD1-OE2 3.45Å; L26-L76 PolarHBondContact N-O 2.8Å; L26-L76 WeakPolarHBondContact O-CB 3.36Å; L26-L76 WeakPolarHBondContact O-CG 3.44Å; L26-L76 PolarHBondContact O-N 3.47Å
27S93.4Very high92.7Very high21 Ų2152.9 Ų52.915%0.14728%0.277CS..  trans-69.2161.3157.964.90000111.1Q29 E30 L31 V74S27-Q29 PolarHBondContact O-N 2.72Å; S27-E30 WeakPolarHBondContact CB-OE2 3.38Å; S27-E30 PolarHBondContact N-OE2 2.88Å; S27-E30 PolarHBondContact O-N 2.88Å; S27-E30 VanDerWaalsContact O-N 3.1Å; S27-E30 VanDerWaalsContact OG-CG 3.29Å; S27-E30 WeakPolarHBondContact OG-CG 3.35Å; S27-E30 PolarHBondContact OG-N 2.87Å; S27-E30 PolarHBondContact OG-OE2 3.03Å; S27-L31 PolarHBondContact O-N 3.49Å; S27-V74 WeakPolarHBondContact CA-O 3.45Å
28P93.2Very high92.6Very high9 Ų956.3 Ų56.36%0.05829%0.287CS..Hα-helixtrans-55.8-37.8177.3-26.335.7000113.4L31 E32 T53 M54 L76P28-L31 PolarHBondContact O-N 3.13Å; P28-E32 WeakPolarHBondContact O-CG 3.29Å; P28-E32 PolarHBondContact O-N 3.22Å; P28-T53 HydrophobicContact CB-CG2 4.22Å; P28-M54 HydrophobicContact CB-CG 4.45Å; P28-M54 HydrophobicContact CB-SD 4.4Å; P28-M54 HydrophobicContact CG-CG 4Å; P28-M54 HydrophobicContact CG-SD 3.48Å; P28-M54 WeakPolarHBondContact CG-SD 3.34Å; P28-L76 HydrophobicContact CG-CD1 4.3Å
29Q92.3Very high92.4Very high125 Ų12558 Ų5858%0.58430%0.297SS*.Hα-helixtrans-71.7-32178.1-64.177.813.200112.6S27 K33S27-Q29 PolarHBondContact O-N 2.72Å; Q29-K33 WeakPolarHBondContact O-CB 3.36Å; Q29-K33 PolarHBondContact O-N 3.38Å
30E93.7Very high92Very high94 Ų9460.3 Ų60.344%0.43932%0.323SS..Hα-helixtrans-72.5-37.8171.9-71.2160.4142.400111.1L26 S27 K33 E34L26-E30 HydrophobicContact CB-CB 4.13Å; L26-E30 HydrophobicContact CD2-CB 4.07Å; S27-E30 WeakPolarHBondContact CB-OE2 3.38Å; S27-E30 PolarHBondContact N-OE2 2.88Å; S27-E30 PolarHBondContact O-N 2.88Å; S27-E30 VanDerWaalsContact O-N 3.1Å; S27-E30 VanDerWaalsContact OG-CG 3.29Å; S27-E30 WeakPolarHBondContact OG-CG 3.35Å; S27-E30 PolarHBondContact OG-N 2.87Å; S27-E30 PolarHBondContact OG-OE2 3.03Å; E30-K33 PolarHBondContact O-N 3.2Å; E30-E34 WeakPolarHBondContact O-CB 3.39Å; E30-E34 WeakPolarHBondContact O-CG 3.33Å; E30-E34 PolarHBondContact O-N 3.04Å
31L94.8Very high91.5Very high0 Ų064.8 Ų64.80%035%0.346CS..Hα-helixtrans-62.3-44.7173.5178.161.5000112I15 L18 L19 L26 S27 P28 K33 E34 Y35 T53 V57 L76I15-L31 HydrophobicContact CG2-CD2 4.32Å; L18-L31 HydrophobicContact CB-CD1 4.44Å; L18-L31 HydrophobicContact CD1-CD1 4.28Å; L19-L31 HydrophobicContact CD1-CD2 4.49Å; L19-L31 HydrophobicContact CD2-CD1 4.22Å; L19-L31 HydrophobicContact CG-CD1 4.24Å; L26-L31 HydrophobicContact CB-CB 4.35Å; L26-L31 HydrophobicContact CD1-CB 4.13Å; L26-L31 HydrophobicContact CD1-CD1 4.14Å; S27-L31 PolarHBondContact O-N 3.49Å; P28-L31 PolarHBondContact O-N 3.13Å; L31-K33 VanDerWaalsContact C-N 3.29Å; L31-K33 PolarHBondContact O-N 3.41Å; L31-E34 PolarHBondContact O-N 3.31Å; L31-Y35 WeakPolarHBondContact O-CB 3.33Å; L31-Y35 PolarHBondContact O-N 3.36Å; L31-T53 HydrophobicContact CD2-CG2 4.06Å; L31-V57 HydrophobicContact CD2-CG2 4.38Å; L31-L76 HydrophobicContact CB-CD1 4.43Å; L31-L76 HydrophobicContact CD2-CD1 3.66Å
32E94.1Very high91.4Very high81 Ų8168.5 Ų68.538%0.37936%0.357SS..Hα-helixtrans-56-43.8173.1-79.5166-148.600112.1P28 L36 L43 T53P28-E32 WeakPolarHBondContact O-CG 3.29Å; P28-E32 PolarHBondContact O-N 3.22Å; E32-L36 WeakPolarHBondContact O-CB 3.4Å; E32-L36 PolarHBondContact O-N 2.86Å; E32-L36 VanDerWaalsContact O-N 3.13Å; E32-L43 HydrophobicContact CG-CD1 3.79Å; E32-T53 VanDerWaalsContact CD-OG1 3.27Å; E32-T53 HydrophobicContact CG-CG2 4.38Å; E32-T53 WeakPolarHBondContact CG-OG1 3.44Å; E32-T53 VanDerWaalsContact OE1-CB 3.24Å; E32-T53 WeakPolarHBondContact OE1-CB 3.33Å; E32-T53 PolarHBondContact OE1-OG1 3.17Å
33K93Very high91.4Very high138 Ų13867.9 Ų67.960%0.635%0.352SS*.Hα-helixtrans-71.7-45.1-178.9-176.1-174.8174.6-170.60112.6Q29 E30 L31 L36 L37Q29-K33 WeakPolarHBondContact O-CB 3.36Å; Q29-K33 PolarHBondContact O-N 3.38Å; E30-K33 PolarHBondContact O-N 3.2Å; L31-K33 VanDerWaalsContact C-N 3.29Å; L31-K33 PolarHBondContact O-N 3.41Å; K33-L36 PolarHBondContact O-N 3.19Å; K33-L37 HydrophobicContact CG-CD1 4.04Å; K33-L37 WeakPolarHBondContact O-CB 3.28Å; K33-L37 VanDerWaalsContact O-CG 3.26Å; K33-L37 WeakPolarHBondContact O-CG 3.36Å; K33-L37 PolarHBondContact O-N 2.74Å
34E92.5Very high91.4Very high60 Ų6065.7 Ų65.728%0.2835%0.345SS..Hα-helixtrans-69.7-38.3179.2-73.7-169.9-172.100111.8L26 E30 L31 L36 L37 M38L26-E34 HydrophobicContact CD1-CB 4.35Å; L26-E34 HydrophobicContact CD1-CG 4.45Å; L26-E34 WeakPolarHBondContact CD1-OE2 3.45Å; E30-E34 WeakPolarHBondContact O-CB 3.39Å; E30-E34 WeakPolarHBondContact O-CG 3.33Å; E30-E34 PolarHBondContact O-N 3.04Å; L31-E34 PolarHBondContact O-N 3.31Å; E34-L36 PolarHBondContact O-N 3.5Å; E34-L37 PolarHBondContact O-N 3.28Å; E34-M38 VanDerWaalsContact O-CB 3.27Å; E34-M38 WeakPolarHBondContact O-CB 3.37Å; E34-M38 VanDerWaalsContact O-CG 3.28Å; E34-M38 WeakPolarHBondContact O-CG 3.49Å; E34-M38 PolarHBondContact O-N 2.97Å
35Y94.6Very high91.4Very high12 Ų1262.7 Ų62.75%0.04733%0.329CS..Hα-helixtrans-59.7-45.8172-176.3-84.8000111.1L11 E14 L18 L31 L37 M38 V39 N41 H42 L43L11-Y35 HydrophobicContact CD1-CD2 4.3Å; L11-Y35 HydrophobicContact CD1-CE2 3.4Å; L11-Y35 VanDerWaalsContact CD1-CE2 3.4Å; E14-Y35 HydrophobicContact CB-CE2 4.04Å; E14-Y35 PolarHBondContact OE2-OH 2.64Å; L18-Y35 HydrophobicContact CD1-CD2 3.76Å; L18-Y35 HydrophobicContact CD1-CG 4.27Å; L31-Y35 WeakPolarHBondContact O-CB 3.33Å; L31-Y35 PolarHBondContact O-N 3.36Å; Y35-L37 VanDerWaalsContact C-N 3.35Å; Y35-L37 PolarHBondContact O-N 2.85Å; Y35-M38 PolarHBondContact O-N 3.21Å; Y35-V39 HydrophobicContact CD1-CB 4.35Å; Y35-V39 HydrophobicContact CD2-CB 4.39Å; Y35-V39 HydrophobicContact CD2-CG2 3.76Å; Y35-V39 HydrophobicContact CE1-CB 4.15Å; Y35-V39 HydrophobicContact CE1-CG1 4.26Å; Y35-V39 HydrophobicContact CE2-CB 4.21Å; Y35-V39 HydrophobicContact CE2-CG1 4.24Å; Y35-V39 HydrophobicContact CE2-CG2 3.78Å; Y35-V39 HydrophobicContact CG-CB 4.46Å; Y35-V39 HydrophobicContact CG-CG2 4.17Å; Y35-V39 WeakPolarHBondContact O-CA 3.46Å; Y35-V39 VanDerWaalsContact O-CB 3.29Å; Y35-V39 WeakPolarHBondContact O-CB 3.17Å; Y35-V39 PolarHBondContact O-N 3.38Å; Y35-N41 WeakPolarHBondContact CD1-O 3.48Å; Y35-N41 WeakPolarHBondContact CE1-O 3.2Å; Y35-H42 WeakPolarHBondContact CE1-O 3.5Å; Y35-L43 HydrophobicContact CD1-CD2 3.69Å; Y35-L43 HydrophobicContact CD1-CG 3.87Å; Y35-L43 HydrophobicContact CD2-CD2 3.53Å; Y35-L43 HydrophobicContact CD2-CG 4.48Å; Y35-L43 HydrophobicContact CE1-CD2 3.94Å; Y35-L43 HydrophobicContact CE1-CG 4.34Å; Y35-L43 HydrophobicContact CE2-CD2 3.78Å; Y35-L43 HydrophobicContact CG-CD2 3.48Å; Y35-L43 VanDerWaalsContact CG-CD2 3.48Å; Y35-L43 HydrophobicContact CG-CG 3.95Å
36L92.9Very high91Very high62 Ų6266.3 Ų66.333%0.32534%0.338SS..Hα-helixtrans-60.8-40.6174.9-178.363.5000113E32 K33 E34 G40 N41E32-L36 WeakPolarHBondContact O-CB 3.4Å; E32-L36 PolarHBondContact O-N 2.86Å; E32-L36 VanDerWaalsContact O-N 3.13Å; K33-L36 PolarHBondContact O-N 3.19Å; E34-L36 PolarHBondContact O-N 3.5Å; L36-G40 VanDerWaalsContact O-CA 3.23Å; L36-G40 WeakPolarHBondContact O-CA 3.48Å; L36-G40 PolarHBondContact O-N 2.97Å; L36-G40 VanDerWaalsContact O-N 3.16Å; L36-N41 WeakPolarHBondContact CA-O 3.45Å
37L91.3Very high90.3Very high126 Ų12668.2 Ų68.266%0.6635%0.347SS*.Hα-helixtrans-72.8-32-179.9-72.6168.9000113.7K33 E34 Y35K33-L37 HydrophobicContact CG-CD1 4.04Å; K33-L37 WeakPolarHBondContact O-CB 3.28Å; K33-L37 VanDerWaalsContact O-CG 3.26Å; K33-L37 WeakPolarHBondContact O-CG 3.36Å; K33-L37 PolarHBondContact O-N 2.74Å; E34-L37 PolarHBondContact O-N 3.28Å; Y35-L37 VanDerWaalsContact C-N 3.35Å; Y35-L37 PolarHBondContact O-N 2.85Å
38M90.5Very high89.9Confident144 Ų14467.3 Ų67.371%0.70934%0.341SS*.Hα-helixtrans-100.7-34-172.6-65.9-61.8-60.800113.9L18 E34 Y35L18-M38 HydrophobicContact CD2-CB 3.79Å; L18-M38 HydrophobicContact CD2-CG 3.79Å; E34-M38 VanDerWaalsContact O-CB 3.27Å; E34-M38 WeakPolarHBondContact O-CB 3.37Å; E34-M38 VanDerWaalsContact O-CG 3.28Å; E34-M38 WeakPolarHBondContact O-CG 3.49Å; E34-M38 PolarHBondContact O-N 2.97Å; Y35-M38 PolarHBondContact O-N 3.21Å
39V89.7Confident89.4Confident45 Ų4566.9 Ų66.927%0.27334%0.338SS..Hα-helixtrans-99.7-9.6179.2-1690000111Y35 N41Y35-V39 HydrophobicContact CD1-CB 4.35Å; Y35-V39 HydrophobicContact CD2-CB 4.39Å; Y35-V39 HydrophobicContact CD2-CG2 3.76Å; Y35-V39 HydrophobicContact CE1-CB 4.15Å; Y35-V39 HydrophobicContact CE1-CG1 4.26Å; Y35-V39 HydrophobicContact CE2-CB 4.21Å; Y35-V39 HydrophobicContact CE2-CG1 4.24Å; Y35-V39 HydrophobicContact CE2-CG2 3.78Å; Y35-V39 HydrophobicContact CG-CB 4.46Å; Y35-V39 HydrophobicContact CG-CG2 4.17Å; Y35-V39 WeakPolarHBondContact O-CA 3.46Å; Y35-V39 VanDerWaalsContact O-CB 3.29Å; Y35-V39 WeakPolarHBondContact O-CB 3.17Å; Y35-V39 PolarHBondContact O-N 3.38Å; V39-N41 PolarHBondContact O-N 2.83Å; V39-N41 PolarHBondContact O-ND2 2.94Å
40G86.8Confident89.2Confident55 Ų5561.2 Ų61.257%0.56731%0.311SS*.SBendtrans71.25.7176.800000114.9L36L36-G40 VanDerWaalsContact O-CA 3.23Å; L36-G40 WeakPolarHBondContact O-CA 3.48Å; L36-G40 PolarHBondContact O-N 2.97Å; L36-G40 VanDerWaalsContact O-N 3.16Å
41N84.9Confident88.7Confident105 Ų10562.8 Ų62.856%0.56131%0.313SS*.SBendtrans-135.3154.1-174.4-69-88.3000109.6Y35 L36 V39Y35-N41 WeakPolarHBondContact CD1-O 3.48Å; Y35-N41 WeakPolarHBondContact CE1-O 3.2Å; L36-N41 WeakPolarHBondContact CA-O 3.45Å; V39-N41 PolarHBondContact O-N 2.83Å; V39-N41 PolarHBondContact O-ND2 2.94Å
42H89.7Confident88.5Confident143 Ų14364.6 Ų64.666%0.66233%0.326SS*.  trans-71.3154.9170.7-65.8-83.6000111.2Y35Y35-H42 WeakPolarHBondContact CE1-O 3.5Å
43L91.3Very high88.4Confident17 Ų1760.8 Ų60.89%0.08931%0.308CS..  trans-55.4129.9171.5-75.5174.8000109.6L11 I15 E32 Y35 L45 T53 L56L11-L43 HydrophobicContact CD1-CD2 3.79Å; I15-L43 HydrophobicContact CD1-CD2 4.1Å; I15-L43 HydrophobicContact CG1-CD2 4.41Å; E32-L43 HydrophobicContact CG-CD1 3.79Å; Y35-L43 HydrophobicContact CD1-CD2 3.69Å; Y35-L43 HydrophobicContact CD1-CG 3.87Å; Y35-L43 HydrophobicContact CD2-CD2 3.53Å; Y35-L43 HydrophobicContact CD2-CG 4.48Å; Y35-L43 HydrophobicContact CE1-CD2 3.94Å; Y35-L43 HydrophobicContact CE1-CG 4.34Å; Y35-L43 HydrophobicContact CE2-CD2 3.78Å; Y35-L43 HydrophobicContact CG-CD2 3.48Å; Y35-L43 VanDerWaalsContact CG-CD2 3.48Å; Y35-L43 HydrophobicContact CG-CG 3.95Å; L43-L45 HydrophobicContact CB-CD2 4.27Å; L43-L45 HydrophobicContact CB-CG 4.04Å; L43-L45 PolarHBondContact O-N 2.7Å; L43-T53 HydrophobicContact CD1-CG2 3.76Å; L43-T53 WeakPolarHBondContact CD1-OG1 3.32Å; L43-L56 HydrophobicContact CD1-CD2 4.37Å; L43-L56 HydrophobicContact CD2-CD2 4.3Å
44P87.8Confident88.4Confident24 Ų2456.8 Ų56.816%0.15629%0.293CS..  trans-8050.7-172.533.6-37.5000112.6I7 L11 I47 L48I7-P44 HydrophobicContact CG2-CG 4.21Å; L11-P44 HydrophobicContact CD1-CG 4.48Å; L11-P44 HydrophobicContact CD2-CG 3.94Å; P44-I47 HydrophobicContact CB-CB 4.43Å; P44-I47 PolarHBondContact O-N 3.45Å; P44-L48 HydrophobicContact CG-CD1 4.02Å; P44-L48 HydrophobicContact CG-CG 4.29Å; P44-L48 WeakPolarHBondContact O-CB 3.45Å; P44-L48 PolarHBondContact O-N 2.87Å
45L88.2Confident88.3Confident33 Ų3356.5 Ų56.517%0.17329%0.291CS..THydrogen-bonded Turntrans-56.4-58.4-171.4-64176.7000112.5L43 I47 L48 G49 Y50 L56L43-L45 HydrophobicContact CB-CD2 4.27Å; L43-L45 HydrophobicContact CB-CG 4.04Å; L43-L45 PolarHBondContact O-N 2.7Å; L45-I47 PolarHBondContact O-N 2.8Å; L45-L48 CarbonylContact O-C 3.6Å; L45-L48 PolarHBondContact O-N 2.88Å; L45-G49 PolarHBondContact O-N 2.79Å; L45-Y50 CarbonylContact C-O 3.52Å; L45-Y50 WeakPolarHBondContact CB-O 3.47Å; L45-Y50 PolarHBondContact O-N 3.02Å; L45-L56 HydrophobicContact CD2-CB 3.82Å; L45-L56 HydrophobicContact CD2-CD2 3.69Å; L45-L56 HydrophobicContact CD2-CG 4.34Å
46R82.5Confident88.1Confident92 Ų9256 Ų5635%0.34729%0.289SS..THydrogen-bonded Turntrans-55.7-49.5178.4-76.6176.2164.8-78.6-11.8112.2L48 G49 E500 D501 I504 W541R46-L48 VanDerWaalsContact C-N 3.28Å; R46-L48 PolarHBondContact O-N 2.84Å; R46-G49 WeakPolarHBondContact O-CA 3.27Å; R46-G49 PolarHBondContact O-N 2.83Å; R46-E500 WeakPolarHBondContact CD-OE2 3.27Å; R46-E500 IonicContact CZ-OE2 2.74Å; R46-E500 IonicContact NH1-OE2 2.73Å; R46-E500 PolarHBondContact NH1-OE2 2.69Å; R46-D501 IonicContact CZ-OD1 2.69Å; R46-D501 IonicContact NH1-OD1 3.88Å; R46-D501 PolarHBondContact NH1-OD1 2.81Å; R46-D501 IonicContact NH2-OD1 3.94Å; R46-D501 PolarHBondContact NH2-OD1 2.61Å; R46-D501 IonicContact NH2-OD2 2.71Å; R46-I504 HydrophobicContact CG-CD1 4.35Å; R46-W541 WeakPolarHBondContact O-CH2 3.39Å
47I79.5Confident88.1Confident47 Ų4753 Ų5324%0.24127%0.274CS..THydrogen-bonded Turntrans-61.7-35.8-178.6-60.1172000111.6I7 P44 L45I7-I47 HydrophobicContact CD1-CG2 4.38Å; P44-I47 HydrophobicContact CB-CB 4.43Å; P44-I47 PolarHBondContact O-N 3.45Å; L45-I47 PolarHBondContact O-N 2.8Å
48L84.5Confident88.1Confident1 Ų152.7 Ų52.71%0.00527%0.272CS..THydrogen-bonded Turntrans-89.63175.2-66.4-175.2000114.1Q4 I7 Q8 L11 P44 L45 R46 Y50 R507Q4-L48 HydrophobicContact CG-CD2 3.72Å; Q4-L48 PolarHBondContact NE2-O 2.92Å; I7-L48 HydrophobicContact CB-CD2 4.04Å; I7-L48 HydrophobicContact CG2-CD1 4.22Å; I7-L48 HydrophobicContact CG2-CD2 3.75Å; I7-L48 HydrophobicContact CG2-CG 4.11Å; Q8-L48 HydrophobicContact CB-CD1 4.43Å; Q8-L48 HydrophobicContact CB-CD2 4.32Å; L11-L48 HydrophobicContact CD2-CD1 3.31Å; P44-L48 HydrophobicContact CG-CD1 4.02Å; P44-L48 HydrophobicContact CG-CG 4.29Å; P44-L48 WeakPolarHBondContact O-CB 3.45Å; P44-L48 PolarHBondContact O-N 2.87Å; L45-L48 CarbonylContact O-C 3.6Å; L45-L48 PolarHBondContact O-N 2.88Å; R46-L48 VanDerWaalsContact C-N 3.28Å; R46-L48 PolarHBondContact O-N 2.84Å; L48-Y50 HydrophobicContact CB-CD2 3.74Å; L48-Y50 HydrophobicContact CB-CE2 3.5Å; L48-Y50 HydrophobicContact CD1-CE2 4.36Å; L48-Y50 WeakPolarHBondContact O-CE2 3.35Å; L48-R507 PolarHBondContact O-NH1 3.43Å; L48-R507 PolarHBondContact O-NH2 3.49Å
49G83.1Confident88Confident0 Ų048.7 Ų48.70%025%0.254CS..THydrogen-bonded Turntrans72.944.6175.400000115.1L45 R46 R507L45-G49 PolarHBondContact O-N 2.79Å; R46-G49 WeakPolarHBondContact O-CA 3.27Å; R46-G49 PolarHBondContact O-N 2.83Å; G49-R507 PolarHBondContact O-NE 2.71Å; G49-R507 PolarHBondContact O-NH2 2.93Å
50Y87.6Confident88.1Confident6 Ų646.6 Ų46.62%0.02424%0.241CC..  trans-125.4143.4171-48.6-72000110.2Q8 L45 L48 E55 L56 D59 R507Q8-Y50 PolarHBondContact NE2-OH 3.23Å; Q8-Y50 VanDerWaalsContact NE2-OH 3.14Å; L45-Y50 CarbonylContact C-O 3.52Å; L45-Y50 WeakPolarHBondContact CB-O 3.47Å; L45-Y50 PolarHBondContact O-N 3.02Å; L48-Y50 HydrophobicContact CB-CD2 3.74Å; L48-Y50 HydrophobicContact CB-CE2 3.5Å; L48-Y50 HydrophobicContact CD1-CE2 4.36Å; L48-Y50 WeakPolarHBondContact O-CE2 3.35Å; Y50-E55 WeakPolarHBondContact CA-OE2 3.32Å; Y50-E55 HydrophobicContact CD1-CB 4.37Å; Y50-E55 HydrophobicContact CD1-CG 3.96Å; Y50-L56 HydrophobicContact CD1-CB 4.49Å; Y50-L56 HydrophobicContact CD2-CB 3.8Å; Y50-L56 HydrophobicContact CD2-CD1 3.64Å; Y50-L56 HydrophobicContact CD2-CG 4.31Å; Y50-L56 HydrophobicContact CE2-CB 4.21Å; Y50-L56 HydrophobicContact CE2-CD1 3.32Å; Y50-L56 HydrophobicContact CE2-CG 4.37Å; Y50-L56 HydrophobicContact CG-CB 3.96Å; Y50-D59 HydrophobicContact CE1-CB 3.83Å; Y50-D59 PolarHBondContact OH-OD2 2.84Å; Y50-R507 VanDerWaalsContact CE1-NH2 3.3Å; Y50-R507 PolarHBondContact OH-NH2 2.77Å
51R84.5Confident88.4Confident127 Ų12748.4 Ų48.448%0.47924%0.243SC..SBendtrans-90.3-15.6175.8-169.8169.8172.3154.82112.7E55 I504 E505 V733R51-E55 PolarHBondContact N-OE2 3.39Å; R51-I504 HydrophobicContact CB-CG2 4.24Å; R51-E505 IonicContact CZ-OE1 3.58Å; R51-E505 IonicContact NH1-OE1 2.84Å; R51-E505 PolarHBondContact NH1-OE1 3.36Å; R51-V733 PolarHBondContact NH2-O 3.24Å
52S89.6Confident88.8Confident39 Ų3947.2 Ų47.227%0.27324%0.236SC..SBendtrans-151.9159.2177.771.70000113.8M54 E55 L56S52-M54 PolarHBondContact O-N 3.32Å; S52-E55 WeakPolarHBondContact O-CB 3.4Å; S52-E55 PolarHBondContact O-N 3.42Å; S52-E55 VanDerWaalsContact O-N 3.13Å; S52-E55 PolarHBondContact OG-N 2.91Å; S52-L56 PolarHBondContact O-N 3.43Å; S52-L56 VanDerWaalsContact O-N 3.16Å
53T92.7Very high89Confident1 Ų140.4 Ų40.41%0.00621%0.205CC..Hα-helixtrans-60.1-30.6172.8-58.50000112.9P28 L31 E32 L43 V57P28-T53 HydrophobicContact CB-CG2 4.22Å; L31-T53 HydrophobicContact CD2-CG2 4.06Å; E32-T53 VanDerWaalsContact CD-OG1 3.27Å; E32-T53 HydrophobicContact CG-CG2 4.38Å; E32-T53 WeakPolarHBondContact CG-OG1 3.44Å; E32-T53 VanDerWaalsContact OE1-CB 3.24Å; E32-T53 WeakPolarHBondContact OE1-CB 3.33Å; E32-T53 PolarHBondContact OE1-OG1 3.17Å; L43-T53 HydrophobicContact CD1-CG2 3.76Å; L43-T53 WeakPolarHBondContact CD1-OG1 3.32Å; T53-V57 HydrophobicContact CG2-CG2 4.39Å; T53-V57 VanDerWaalsContact O-CB 3.27Å; T53-V57 WeakPolarHBondContact O-CB 3.46Å; T53-V57 WeakPolarHBondContact O-CG2 3.46Å; T53-V57 PolarHBondContact O-N 2.54Å
54M92.8Very high89.2Confident54 Ų5439.8 Ų39.827%0.26620%0.201SC..Hα-helixtrans-65.9-39.4174.3-80.4-58.2-5100112.4P28 S52 V57 L58 V66 V74 L76P28-M54 HydrophobicContact CB-CG 4.45Å; P28-M54 HydrophobicContact CB-SD 4.4Å; P28-M54 HydrophobicContact CG-CG 4Å; P28-M54 HydrophobicContact CG-SD 3.48Å; P28-M54 WeakPolarHBondContact CG-SD 3.34Å; S52-M54 PolarHBondContact O-N 3.32Å; M54-V57 PolarHBondContact O-N 3.15Å; M54-L58 VanDerWaalsContact O-CG 3.26Å; M54-L58 WeakPolarHBondContact O-CG 3.44Å; M54-L58 PolarHBondContact O-N 2.92Å; M54-L58 VanDerWaalsContact O-N 3.08Å; M54-V66 HydrophobicContact CE-CG1 4.29Å; M54-V74 HydrophobicContact CE-CG1 4.24Å; M54-V74 HydrophobicContact SD-CG1 3.98Å; M54-L76 HydrophobicContact SD-CD2 4.5Å
55E89.9Confident89.5Confident53 Ų5344 Ų4425%0.24821%0.214CC..Hα-helixtrans-68.8-45.4178.5-166.5-172.6-177.500111.4Y50 R51 S52 V57 L58 D59Y50-E55 WeakPolarHBondContact CA-OE2 3.32Å; Y50-E55 HydrophobicContact CD1-CB 4.37Å; Y50-E55 HydrophobicContact CD1-CG 3.96Å; R51-E55 PolarHBondContact N-OE2 3.39Å; S52-E55 WeakPolarHBondContact O-CB 3.4Å; S52-E55 PolarHBondContact O-N 3.42Å; S52-E55 VanDerWaalsContact O-N 3.13Å; S52-E55 PolarHBondContact OG-N 2.91Å; E55-V57 VanDerWaalsContact C-N 3.29Å; E55-V57 PolarHBondContact O-N 3.32Å; E55-L58 PolarHBondContact O-N 3.24Å; E55-D59 PolarHBondContact O-N 3.03Å
56L91.5Very high89.8Confident1 Ų145.3 Ų45.31%0.00522%0.223CC..Hα-helixtrans-52.3-47170.9167.967.7000111.8L11 I15 L43 L45 Y50 S52 L58 D59 M60L11-L56 HydrophobicContact CD2-CD1 3.76Å; L11-L56 HydrophobicContact CD2-CD2 4.02Å; I15-L56 HydrophobicContact CD1-CD2 3.89Å; L43-L56 HydrophobicContact CD1-CD2 4.37Å; L43-L56 HydrophobicContact CD2-CD2 4.3Å; L45-L56 HydrophobicContact CD2-CB 3.82Å; L45-L56 HydrophobicContact CD2-CD2 3.69Å; L45-L56 HydrophobicContact CD2-CG 4.34Å; Y50-L56 HydrophobicContact CD1-CB 4.49Å; Y50-L56 HydrophobicContact CD2-CB 3.8Å; Y50-L56 HydrophobicContact CD2-CD1 3.64Å; Y50-L56 HydrophobicContact CD2-CG 4.31Å; Y50-L56 HydrophobicContact CE2-CB 4.21Å; Y50-L56 HydrophobicContact CE2-CD1 3.32Å; Y50-L56 HydrophobicContact CE2-CG 4.37Å; Y50-L56 HydrophobicContact CG-CB 3.96Å; S52-L56 PolarHBondContact O-N 3.43Å; S52-L56 VanDerWaalsContact O-N 3.16Å; L56-L58 VanDerWaalsContact C-N 3.35Å; L56-L58 PolarHBondContact O-N 3.32Å; L56-D59 PolarHBondContact O-N 2.64Å; L56-M60 HydrophobicContact CD1-CE 3.51Å; L56-M60 HydrophobicContact CG-CE 3.83Å
57V92.9Very high90.2Very high1 Ų142.2 Ų42.21%0.00622%0.216CC..Hα-helixtrans-66.3-34.5-178158.30000112.5L31 T53 M54 E55 D59 M60 V64 V66 L76L31-V57 HydrophobicContact CD2-CG2 4.38Å; T53-V57 HydrophobicContact CG2-CG2 4.39Å; T53-V57 VanDerWaalsContact O-CB 3.27Å; T53-V57 WeakPolarHBondContact O-CB 3.46Å; T53-V57 WeakPolarHBondContact O-CG2 3.46Å; T53-V57 PolarHBondContact O-N 2.54Å; M54-V57 PolarHBondContact O-N 3.15Å; E55-V57 VanDerWaalsContact C-N 3.29Å; E55-V57 PolarHBondContact O-N 3.32Å; V57-D59 VanDerWaalsContact C-N 3.32Å; V57-M60 VanDerWaalsContact O-CG 3.31Å; V57-M60 WeakPolarHBondContact O-CG 3.31Å; V57-M60 PolarHBondContact O-N 3.22Å; V57-V64 HydrophobicContact CG1-CB 4.02Å; V57-V64 HydrophobicContact CG1-CG1 3.69Å; V57-V64 HydrophobicContact CG2-CG1 4.48Å; V57-V66 HydrophobicContact CG1-CG2 3.67Å; V57-L76 HydrophobicContact CG1-CD2 3.85Å; V57-L76 HydrophobicContact CG2-CD1 3.86Å
58L90.8Very high90.6Very high118 Ų11845.9 Ų45.962%0.61824%0.243SC*.Hα-helixtrans-71.5-24.4177.3-70.4166.6000112.7M54 E55 L56 M60 V66M54-L58 VanDerWaalsContact O-CG 3.26Å; M54-L58 WeakPolarHBondContact O-CG 3.44Å; M54-L58 PolarHBondContact O-N 2.92Å; M54-L58 VanDerWaalsContact O-N 3.08Å; E55-L58 PolarHBondContact O-N 3.24Å; L56-L58 VanDerWaalsContact C-N 3.35Å; L56-L58 PolarHBondContact O-N 3.32Å; L58-M60 PolarHBondContact O-N 2.68Å; L58-V66 HydrophobicContact CD2-CG2 4.36Å
59D88.3Confident90.4Very high61 Ų6146.7 Ų46.733%0.32625%0.251SS..THydrogen-bonded Turntrans-83.812.4170.7-16558.8000113.4Q8 R12 Y50 E55 L56 V57 K540Q8-D59 PolarHBondContact NE2-OD2 3.18Å; R12-D59 PolarHBondContact NH1-O 3.47Å; Y50-D59 HydrophobicContact CE1-CB 3.83Å; Y50-D59 PolarHBondContact OH-OD2 2.84Å; E55-D59 PolarHBondContact O-N 3.03Å; L56-D59 PolarHBondContact O-N 2.64Å; V57-D59 VanDerWaalsContact C-N 3.32Å; D59-K540 IonicContact OD1-NZ 3.47Å; D59-K540 IonicContact OD2-NZ 3.49Å; D59-K540 PolarHBondContact OD2-NZ 3.35Å
60M91.6Very high90.1Very high0 Ų051.4 Ų51.40%029%0.29CS..  trans-138.955.3174.462.3178.363.900114.6R12 I15 L56 V57 L58 D62 V63 V64R12-M60 HydrophobicContact CG-CE 4.3Å; I15-M60 HydrophobicContact CB-SD 4.49Å; I15-M60 HydrophobicContact CD1-CE 4.02Å; I15-M60 HydrophobicContact CD1-SD 4Å; I15-M60 HydrophobicContact CG2-SD 4.06Å; L56-M60 HydrophobicContact CD1-CE 3.51Å; L56-M60 HydrophobicContact CG-CE 3.83Å; V57-M60 VanDerWaalsContact O-CG 3.31Å; V57-M60 WeakPolarHBondContact O-CG 3.31Å; V57-M60 PolarHBondContact O-N 3.22Å; L58-M60 PolarHBondContact O-N 2.68Å; M60-D62 PolarHBondContact O-N 3.19Å; M60-D62 VanDerWaalsContact O-N 3.09Å; M60-V63 HydrophobicContact CB-CB 3.94Å; M60-V63 HydrophobicContact CB-CG2 3.94Å; M60-V63 HydrophobicContact CG-CB 4.11Å; M60-V63 PolarHBondContact O-N 2.97Å; M60-V63 HydrophobicContact SD-CB 4.05Å; M60-V63 HydrophobicContact SD-CG1 4.07Å; M60-V63 HydrophobicContact SD-CG2 4.49Å; M60-V64 HydrophobicContact CG-CB 4.44Å; M60-V64 HydrophobicContact CG-CG2 3.97Å; M60-V64 PolarHBondContact O-N 2.87Å; M60-V64 HydrophobicContact SD-CG2 3.77Å
61P92.9Very high89.4Confident94 Ų9453 Ų5361%0.6131%0.308SS*.THydrogen-bonded Turntrans-67.3-8.7-175.931-37.8000115.1I79P61-I79 WeakPolarHBondContact O-CD1 3.44Å
62D92.9Very high89Confident79 Ų7950.2 Ų50.242%0.42232%0.319SS..THydrogen-bonded Turntrans-98.6-5.3171.556-77.4000113.7R12 R16 M60R12-D62 IonicContact CZ-OD1 2.64Å; R12-D62 IonicContact CZ-OD2 3.71Å; R12-D62 IonicContact NE-OD2 3.14Å; R12-D62 IonicContact NH2-OD1 3.97Å; R12-D62 PolarHBondContact NH2-OD1 2.83Å; R12-D62 IonicContact NH2-OD2 2.7Å; R12-D62 PolarHBondContact NH2-OD2 3.17Å; R16-D62 PolarHBondContact NH2-O 2.87Å; M60-D62 PolarHBondContact O-N 3.19Å; M60-D62 VanDerWaalsContact O-N 3.09Å
63V94.4Very high88.8Confident0 Ų051.6 Ų51.60%033%0.326CS..THydrogen-bonded Turntrans-104.2-44.6171.9-178.60000110R12 I15 R16 M60 A78 I79R12-V63 HydrophobicContact CB-CG2 3.9Å; R12-V63 HydrophobicContact CG-CG2 3.94Å; R12-V63 WeakPolarHBondContact O-CG1 3.49Å; I15-V63 HydrophobicContact CB-CG1 4.48Å; I15-V63 HydrophobicContact CG2-CG1 4.11Å; R16-V63 HydrophobicContact CB-CG1 4Å; M60-V63 HydrophobicContact CB-CB 3.94Å; M60-V63 HydrophobicContact CB-CG2 3.94Å; M60-V63 HydrophobicContact CG-CB 4.11Å; M60-V63 PolarHBondContact O-N 2.97Å; M60-V63 HydrophobicContact SD-CB 4.05Å; M60-V63 HydrophobicContact SD-CG1 4.07Å; M60-V63 HydrophobicContact SD-CG2 4.49Å; V63-A78 CarbonylContact O-C 3.6Å; V63-A78 WeakPolarHBondContact O-CA 3.11Å; V63-I79 PolarHBondContact O-N 3.38Å
64V95.5Very high88.7Confident4 Ų453.8 Ų53.82%0.02434%0.339CS..EExtended strand (participates in β ladder)trans-127.5129.9-168.7-171.20000111.5I15 L19 V57 M60 L76I15-V64 HydrophobicContact CG2-CG2 3.7Å; L19-V64 HydrophobicContact CD1-CB 4.35Å; L19-V64 HydrophobicContact CD1-CG1 3.89Å; L19-V64 HydrophobicContact CD1-CG2 3.63Å; V57-V64 HydrophobicContact CG1-CB 4.02Å; V57-V64 HydrophobicContact CG1-CG1 3.69Å; V57-V64 HydrophobicContact CG2-CG1 4.48Å; M60-V64 HydrophobicContact CG-CB 4.44Å; M60-V64 HydrophobicContact CG-CG2 3.97Å; M60-V64 PolarHBondContact O-N 2.87Å; M60-V64 HydrophobicContact SD-CG2 3.77Å; V64-L76 HydrophobicContact CG1-CB 3.87Å; V64-L76 HydrophobicContact CG1-CD2 4.1Å; V64-L76 HydrophobicContact CG1-CG 4.42Å
65R94.4Very high88.7Confident113 Ų11353.1 Ų53.143%0.42634%0.336SS..EExtended strand (participates in β ladder)trans-103.8108.4171.1-176.7174.159.8-87.9-4.1109.5C67 K77 A78 I79R65-C67 PolarHBondContact O-N 2.96Å; R65-C67 PolarHBondContact O-SG 3.37Å; R65-C67 VanDerWaalsContact O-SG 3.37Å; R65-K77 PolarHBondContact N-O 2.93Å; R65-K77 PolarHBondContact O-N 2.81Å; R65-K77 VanDerWaalsContact O-N 3.11Å; R65-A78 PolarHBondContact NH1-O 2.75Å; R65-A78 PolarHBondContact NH2-O 3.02Å; R65-I79 HydrophobicContact CB-CD1 4.07Å; R65-I79 HydrophobicContact CB-CG1 3.99Å
66V94Very high88.9Confident60 Ų6050.6 Ų50.636%0.36432%0.324SS..EExtended strand (participates in β ladder)trans-68.2118.5174-175.50000109.3M54 V57 L58 V74 L76M54-V66 HydrophobicContact CE-CG1 4.29Å; V57-V66 HydrophobicContact CG1-CG2 3.67Å; L58-V66 HydrophobicContact CD2-CG2 4.36Å; V66-V74 HydrophobicContact CG1-CG1 3.59Å; V66-L76 HydrophobicContact CG2-CD2 4.21Å
67C91.3Very high89.1Confident28 Ų2853.2 Ų53.219%0.18934%0.336CS..EExtended strand (participates in β ladder)trans-117.2138.5179.6-560000110.6R65 G69 I75R65-C67 PolarHBondContact O-N 2.96Å; R65-C67 PolarHBondContact O-SG 3.37Å; R65-C67 VanDerWaalsContact O-SG 3.37Å; C67-G69 PolarHBondContact O-N 3.33Å; C67-I75 WeakPolarHBondContact CA-O 3.21Å; C67-I75 VanDerWaalsContact CB-O 3.27Å; C67-I75 WeakPolarHBondContact CB-O 3.33Å; C67-I75 PolarHBondContact N-O 3.07Å; C67-I75 PolarHBondContact O-N 2.88Å
68P88.6Confident89.2Confident124 Ų12453.7 Ų53.781%0.80534%0.34SS*.EExtended strand (participates in β ladder)trans-70.4128172.128.9-33.3000110.7
69G78.4Confident89.4Confident18 Ų1850.4 Ų50.419%0.18632%0.323CS..PPolyproline II helixtrans-94.1169.8178.100000113.7C67 G71 G72 T73C67-G69 PolarHBondContact O-N 3.33Å; G69-G71 PolarHBondContact O-N 3.47Å; G69-G72 PolarHBondContact O-N 3.24Å; G69-T73 WeakPolarHBondContact CA-O 3.36Å; G69-T73 WeakPolarHBondContact CA-OG1 3.41Å; G69-T73 PolarHBondContact N-O 2.91Å
70A77.6Confident89.6Confident98 Ų9849.7 Ų49.781%0.8132%0.321SS*.THydrogen-bonded Turntrans-63.9124.117800000110.9T73A70-T73 PolarHBondContact O-OG1 3.17Å
71G72.7Confident89.7Confident40 Ų4051.9 Ų51.941%0.41233%0.333SS..THydrogen-bonded Turntrans8019.9-178.500000114.8G69 T73 R120G69-G71 PolarHBondContact O-N 3.47Å; G71-T73 VanDerWaalsContact C-N 3.33Å; G71-R120 WeakPolarHBondContact O-CD 3.23Å; G71-R120 PolarHBondContact O-NH1 2.9Å
72G77.2Confident89.7Confident68 Ų6854.6 Ų54.670%0.70134%0.337SS*.SBendtrans77.617.8176.300000114.2G69G69-G72 PolarHBondContact O-N 3.24Å
73T84.5Confident89.7Confident68 Ų6855.6 Ų55.642%0.41735%0.351SS..  trans-68.8162.2159.550.30000110G69 A70 G71G69-T73 WeakPolarHBondContact CA-O 3.36Å; G69-T73 WeakPolarHBondContact CA-OG1 3.41Å; G69-T73 PolarHBondContact N-O 2.91Å; A70-T73 PolarHBondContact O-OG1 3.17Å; G71-T73 VanDerWaalsContact C-N 3.33Å
74V90.1Very high89.6Confident48 Ų4856.6 Ų56.629%0.29136%0.357SS..EExtended strand (participates in β ladder)trans-107.6135.2170.3173.60000108.3S27 M54 V66 L76S27-V74 WeakPolarHBondContact CA-O 3.45Å; M54-V74 HydrophobicContact CE-CG1 4.24Å; M54-V74 HydrophobicContact SD-CG1 3.98Å; V66-V74 HydrophobicContact CG1-CG1 3.59Å; V74-L76 HydrophobicContact CG1-CD2 3.9Å
75I93.1Very high89.5Confident39 Ų3961.1 Ų61.120%0.238%0.376CS..EExtended strand (participates in β ladder)trans-121.2119.9177.6-59-67000108.6D24 C67 K77D24-I75 VanDerWaalsContact O-CG2 3.3Å; D24-I75 WeakPolarHBondContact O-CG2 3.45Å; C67-I75 WeakPolarHBondContact CA-O 3.21Å; C67-I75 VanDerWaalsContact CB-O 3.27Å; C67-I75 WeakPolarHBondContact CB-O 3.33Å; C67-I75 PolarHBondContact N-O 3.07Å; C67-I75 PolarHBondContact O-N 2.88Å; I75-K77 HydrophobicContact CG2-CG 4.31Å
76L95.1Very high89.4Confident0 Ų057.9 Ų57.90%038%0.378CS..EExtended strand (participates in β ladder)trans-87.9127.5178.7-53.2-175.8000108.8L19 G25 L26 P28 L31 M54 V57 V64 V66 V74L19-L76 HydrophobicContact CD1-CB 4.21Å; L19-L76 HydrophobicContact CD2-CB 4Å; G25-L76 CarbonylContact C-O 3.54Å; G25-L76 WeakPolarHBondContact CA-O 3.44Å; L26-L76 PolarHBondContact N-O 2.8Å; L26-L76 WeakPolarHBondContact O-CB 3.36Å; L26-L76 WeakPolarHBondContact O-CG 3.44Å; L26-L76 PolarHBondContact O-N 3.47Å; P28-L76 HydrophobicContact CG-CD1 4.3Å; L31-L76 HydrophobicContact CB-CD1 4.43Å; L31-L76 HydrophobicContact CD2-CD1 3.66Å; M54-L76 HydrophobicContact SD-CD2 4.5Å; V57-L76 HydrophobicContact CG1-CD2 3.85Å; V57-L76 HydrophobicContact CG2-CD1 3.86Å; V64-L76 HydrophobicContact CG1-CB 3.87Å; V64-L76 HydrophobicContact CG1-CD2 4.1Å; V64-L76 HydrophobicContact CG1-CG 4.42Å; V66-L76 HydrophobicContact CG2-CD2 4.21Å; V74-L76 HydrophobicContact CG1-CD2 3.9Å
77K94.5Very high89.4Confident56 Ų5659.5 Ų59.524%0.24338%0.384CS..EExtended strand (participates in β ladder)trans-127.4140.2175.7-68.3-179.6-179.9-91.10109.9K23 D24 R65 I75K23-K77 PolarHBondContact O-NZ 3.5Å; D24-K77 WeakPolarHBondContact O-CE 3.37Å; D24-K77 PolarHBondContact O-NZ 3.34Å; R65-K77 PolarHBondContact N-O 2.93Å; R65-K77 PolarHBondContact O-N 2.81Å; R65-K77 VanDerWaalsContact O-N 3.11Å; I75-K77 HydrophobicContact CG2-CG 4.31Å
78A95Very high89.5Confident12 Ų1259.3 Ų59.310%0.09939%0.385CS..EExtended strand (participates in β ladder)trans-62.1154.817800000113.6L19 I20 V63 R65L19-A78 HydrophobicContact CB-CB 3.81Å; L19-A78 WeakPolarHBondContact O-CB 3.34Å; I20-A78 HydrophobicContact CB-CB 4.39Å; I20-A78 HydrophobicContact CD1-CB 4.24Å; I20-A78 HydrophobicContact CG1-CB 3.32Å; V63-A78 CarbonylContact O-C 3.6Å; V63-A78 WeakPolarHBondContact O-CA 3.11Å; R65-A78 PolarHBondContact NH1-O 2.75Å; R65-A78 PolarHBondContact NH2-O 3.02Å
79I95.2Very high89.6Confident49 Ų4956 Ų5625%0.25136%0.364SS..  trans-108.5111.9159.2-65164.3000106R16 P61 V63 R65R16-I79 PolarHBondContact NE-O 2.6Å; P61-I79 WeakPolarHBondContact O-CD1 3.44Å; V63-I79 PolarHBondContact O-N 3.38Å; R65-I79 HydrophobicContact CB-CD1 4.07Å; R65-I79 HydrophobicContact CB-CG1 3.99Å
80P92.8Very high90.3Very high45 Ų4560.9 Ų60.929%0.29239%0.385SS..  trans-76133.3-179.929.9-33000111I20 T84 K85 A88I20-P80 HydrophobicContact CD1-CB 4.01Å; P80-T84 WeakPolarHBondContact CA-OG1 3.2Å; P80-K85 HydrophobicContact CB-CG 4.23Å; P80-K85 HydrophobicContact CG-CG 4.29Å; P80-A88 HydrophobicContact CB-CB 3.87Å; P80-A88 HydrophobicContact CG-CB 4.01Å
81D93.3Very high91Very high47 Ų4756.8 Ų56.825%0.25135%0.35SS..  trans-76.5174.316558.246.5000111.3R16 S83 T84 K85R16-D81 WeakPolarHBondContact CD-OD2 3.25Å; R16-D81 IonicContact CZ-OD2 3.07Å; R16-D81 VanDerWaalsContact CZ-OD2 3.28Å; R16-D81 IonicContact NE-OD2 3.92Å; R16-D81 PolarHBondContact NE-OD2 2.67Å; R16-D81 IonicContact NH1-OD2 3.33Å; R16-D81 PolarHBondContact NH1-OD2 2.87Å; D81-S83 PolarHBondContact O-N 3.01Å; D81-S83 WeakPolarHBondContact OD1-CA 3.43Å; D81-S83 WeakPolarHBondContact OD1-CB 3.22Å; D81-S83 PolarHBondContact OD1-N 2.76Å; D81-S83 PolarHBondContact OD1-OG 3.12Å; D81-T84 PolarHBondContact N-OG1 3.37Å; D81-T84 PolarHBondContact O-N 3.45Å; D81-T84 PolarHBondContact O-OG1 2.77Å; D81-T84 WeakPolarHBondContact OD1-CB 3.15Å; D81-T84 WeakPolarHBondContact OD1-CG2 3.39Å; D81-T84 PolarHBondContact OD1-N 2.88Å; D81-T84 PolarHBondContact OD1-OG1 2.66Å; D81-K85 WeakPolarHBondContact O-CG 3.49Å; D81-K85 PolarHBondContact O-N 2.85Å
82E93.4Very high91.8Very high150 Ų15057.7 Ų57.770%0.70135%0.354SS*.THydrogen-bonded Turntrans-53.8-36.3179.6-58.1-52.1138.700113.6K85E82-K85 WeakPolarHBondContact OE1-CE 3.46Å; E82-K85 IonicContact OE1-NZ 2.65Å; E82-K85 PolarHBondContact OE1-NZ 2.82Å; E82-K85 WeakPolarHBondContact OE2-CE 3.36Å; E82-K85 IonicContact OE2-NZ 2.71Å; E82-K85 PolarHBondContact OE2-NZ 2.94Å
83S91.9Very high92.4Very high100 Ų10061.7 Ų61.770%0.69935%0.352SS*.THydrogen-bonded Turntrans-73.8-28.9-179.376.30000112.8D81D81-S83 PolarHBondContact O-N 3.01Å; D81-S83 WeakPolarHBondContact OD1-CA 3.43Å; D81-S83 WeakPolarHBondContact OD1-CB 3.22Å; D81-S83 PolarHBondContact OD1-N 2.76Å; D81-S83 PolarHBondContact OD1-OG 3.12Å
84T93Very high92.6Very high22 Ų2263.2 Ų63.214%0.13536%0.355CS..THydrogen-bonded Turntrans-104.9-10.3-172.853.80000114.5I20 P80 D81 G86 I87 A88I20-T84 VanDerWaalsContact CD1-CB 3.45Å; I20-T84 HydrophobicContact CD1-CG2 4.11Å; I20-T84 WeakPolarHBondContact CD1-OG1 3.31Å; P80-T84 WeakPolarHBondContact CA-OG1 3.2Å; D81-T84 PolarHBondContact N-OG1 3.37Å; D81-T84 PolarHBondContact O-N 3.45Å; D81-T84 PolarHBondContact O-OG1 2.77Å; D81-T84 WeakPolarHBondContact OD1-CB 3.15Å; D81-T84 WeakPolarHBondContact OD1-CG2 3.39Å; D81-T84 PolarHBondContact OD1-N 2.88Å; D81-T84 PolarHBondContact OD1-OG1 2.66Å; T84-G86 PolarHBondContact O-N 3.21Å; T84-G86 VanDerWaalsContact O-N 3.17Å; T84-I87 PolarHBondContact O-N 2.81Å; T84-A88 PolarHBondContact O-N 3.01Å
85K92.7Very high92.2Very high98 Ų9872.9 Ų72.943%0.42639%0.386SS..Hα-helixtrans-48.1-41.6174-85.9174.2-169.5177.70113.7P80 D81 E82 S89P80-K85 HydrophobicContact CB-CG 4.23Å; P80-K85 HydrophobicContact CG-CG 4.29Å; D81-K85 WeakPolarHBondContact O-CG 3.49Å; D81-K85 PolarHBondContact O-N 2.85Å; E82-K85 WeakPolarHBondContact OE1-CE 3.46Å; E82-K85 IonicContact OE1-NZ 2.65Å; E82-K85 PolarHBondContact OE1-NZ 2.82Å; E82-K85 WeakPolarHBondContact OE2-CE 3.36Å; E82-K85 IonicContact OE2-NZ 2.71Å; E82-K85 PolarHBondContact OE2-NZ 2.94Å; K85-S89 WeakPolarHBondContact O-CB 3.17Å; K85-S89 PolarHBondContact O-N 2.83Å
86G93.7Very high91Very high46 Ų4674.4 Ų74.447%0.47440%0.4SS..Hα-helixtrans-61.4-48.4178.100000112.5T84 S89 L90T84-G86 PolarHBondContact O-N 3.21Å; T84-G86 VanDerWaalsContact O-N 3.17Å; G86-S89 WeakPolarHBondContact O-CB 3.47Å; G86-S89 PolarHBondContact O-N 3.49Å; G86-L90 WeakPolarHBondContact O-CG 3.35Å; G86-L90 PolarHBondContact O-N 3.41Å; G86-L90 VanDerWaalsContact O-N 3.13Å
87I93.6Very high89.2Confident94 Ų9480 Ų8048%0.48244%0.439SS..Hα-helixtrans-64-46.3179.4-55.4171.2000110.1I20 T84 S89 L90 V91I20-I87 HydrophobicContact CG2-CB 4.11Å; I20-I87 HydrophobicContact CG2-CG2 3.65Å; T84-I87 PolarHBondContact O-N 2.81Å; I87-S89 VanDerWaalsContact C-N 3.29Å; I87-S89 PolarHBondContact O-N 3.43Å; I87-L90 WeakPolarHBondContact O-CB 3.17Å; I87-L90 PolarHBondContact O-N 3Å; I87-V91 HydrophobicContact CG2-CG2 4.33Å; I87-V91 WeakPolarHBondContact O-CG2 3.41Å; I87-V91 PolarHBondContact O-N 3.44Å
88A92.9Very high87.2Confident24 Ų2485.8 Ų85.820%0.19847%0.467CS..Hα-helixtrans-59.6-37.6176.600000112.7I20 P80 T84 L90 A92I20-A88 HydrophobicContact CG2-CB 4.33Å; P80-A88 HydrophobicContact CB-CB 3.87Å; P80-A88 HydrophobicContact CG-CB 4.01Å; T84-A88 PolarHBondContact O-N 3.01Å; A88-L90 VanDerWaalsContact C-N 3.34Å; A88-L90 PolarHBondContact O-N 2.65Å; A88-A92 VanDerWaalsContact O-CB 3.28Å; A88-A92 WeakPolarHBondContact O-CB 3.5Å; A88-A92 PolarHBondContact O-N 3.08Å
89S92Very high84.3Confident54 Ų5494.7 Ų94.738%0.37850%0.503SS..Hα-helixtrans-64.8-35.4174-167.40000112.8K85 G86 I87 K93K85-S89 WeakPolarHBondContact O-CB 3.17Å; K85-S89 PolarHBondContact O-N 2.83Å; G86-S89 WeakPolarHBondContact O-CB 3.47Å; G86-S89 PolarHBondContact O-N 3.49Å; I87-S89 VanDerWaalsContact C-N 3.29Å; I87-S89 PolarHBondContact O-N 3.43Å; S89-K93 WeakPolarHBondContact O-CD 3.24Å; S89-K93 VanDerWaalsContact O-CG 3.27Å; S89-K93 WeakPolarHBondContact O-CG 3.06Å; S89-K93 PolarHBondContact OG-NZ 3.45Å
90L92.6Very high81.7Confident120 Ų120100 Ų10063%0.62853%0.531SS*.Hα-helixtrans-73.5-45.4176.6-67.8170.8000111.7G86 I87 A88 A92 K93 Q94G86-L90 WeakPolarHBondContact O-CG 3.35Å; G86-L90 PolarHBondContact O-N 3.41Å; G86-L90 VanDerWaalsContact O-N 3.13Å; I87-L90 WeakPolarHBondContact O-CB 3.17Å; I87-L90 PolarHBondContact O-N 3Å; A88-L90 VanDerWaalsContact C-N 3.34Å; A88-L90 PolarHBondContact O-N 2.65Å; L90-A92 PolarHBondContact O-N 3.28Å; L90-K93 WeakPolarHBondContact O-CB 3.23Å; L90-K93 PolarHBondContact O-N 2.99Å; L90-K93 VanDerWaalsContact O-N 3.15Å; L90-Q94 PolarHBondContact O-N 2.74Å
91V91.8Very high78.8Confident13 Ų13107.5 Ų107.58%0.07955%0.554CS.*Hα-helixtrans-64.2-41178.3176.70000111.2I20 K23 I87 K93 Q94I20-V91 WeakPolarHBondContact O-CG1 3.3Å; I20-V91 WeakPolarHBondContact O-CG2 3.5Å; K23-V91 HydrophobicContact CB-CG1 3.8Å; I87-V91 HydrophobicContact CG2-CG2 4.33Å; I87-V91 WeakPolarHBondContact O-CG2 3.41Å; I87-V91 PolarHBondContact O-N 3.44Å; V91-K93 PolarHBondContact O-N 3.45Å; V91-K93 VanDerWaalsContact O-N 3.15Å; V91-Q94 VanDerWaalsContact O-CB 3.29Å; V91-Q94 WeakPolarHBondContact O-CB 3.45Å; V91-Q94 WeakPolarHBondContact O-CG 3.4Å; V91-Q94 PolarHBondContact O-N 3.46Å
92A89.2Confident75.8Confident59 Ų59113.8 Ų113.849%0.48859%0.587SS.*Hα-helixtrans-56.9-31.9174.700000113.3K23 A88 L90K23-A92 PolarHBondContact NZ-O 2.87Å; A88-A92 VanDerWaalsContact O-CB 3.28Å; A88-A92 WeakPolarHBondContact O-CB 3.5Å; A88-A92 PolarHBondContact O-N 3.08Å; L90-A92 PolarHBondContact O-N 3.28Å
93K90.2Very high73.2Confident152 Ų152110.1 Ų110.166%0.66158%0.578SS**THydrogen-bonded Turntrans-80.7-8.2178.5-69.2163.7-174.8153.50114.1S89 L90 V91S89-K93 WeakPolarHBondContact O-CD 3.24Å; S89-K93 VanDerWaalsContact O-CG 3.27Å; S89-K93 WeakPolarHBondContact O-CG 3.06Å; S89-K93 PolarHBondContact OG-NZ 3.45Å; L90-K93 WeakPolarHBondContact O-CB 3.23Å; L90-K93 PolarHBondContact O-N 2.99Å; L90-K93 VanDerWaalsContact O-N 3.15Å; V91-K93 PolarHBondContact O-N 3.45Å; V91-K93 VanDerWaalsContact O-N 3.15Å
94Q88.5Confident70.4Confident100 Ų100113.3 Ų113.347%0.46758%0.584SS.*SBendtrans-61.2148.2175.4-67.7175.1-3.600111.6K23 L90 V91 S96K23-Q94 HydrophobicContact CD-CB 4.41Å; K23-Q94 PolarHBondContact NZ-O 2.84Å; L90-Q94 PolarHBondContact O-N 2.74Å; V91-Q94 VanDerWaalsContact O-CB 3.29Å; V91-Q94 WeakPolarHBondContact O-CB 3.45Å; V91-Q94 WeakPolarHBondContact O-CG 3.4Å; V91-Q94 PolarHBondContact O-N 3.46Å; Q94-S96 PolarHBondContact O-N 3.48Å
95R81.3Confident67.9Low250 Ų250120.7 Ų120.794%0.94362%0.617SS**PPolyproline II helixtrans-70.7126.7174.8-66.3179176.3176-1.4109.2
96S67.8Low65.2Low71 Ų71125.7 Ų125.750%0.49764%0.638SS.*PPolyproline II helixtrans-66138.617543.80000111Q94 H98Q94-S96 PolarHBondContact O-N 3.48Å; S96-H98 PolarHBondContact O-N 3.22Å
97S58.1Low62.4Low119 Ų119126.8 Ų126.883%0.83265%0.65SS**  trans-81.828.5-168.147.70000114.9K99S97-K99 VanDerWaalsContact C-N 3.27Å; S97-K99 PolarHBondContact O-N 3.13Å
98H51.9Low59.6Low177 Ų177133.5 Ų133.582%0.81967%0.669SS**  trans-75.371.2175-84.7-62.8000112.6S96S96-H98 PolarHBondContact O-N 3.22Å
99K35.5Very low56.8Low198 Ų198138.4 Ų138.486%0.86170%0.699SS**  trans-137.751.3172.2-82.4-157.4171.7-170.30114.8S97S97-K99 VanDerWaalsContact C-N 3.27Å; S97-K99 PolarHBondContact O-N 3.13Å
100L40.2Very low54Low160 Ų160141.5 Ų141.584%0.83872%0.72SS**  trans-147.9140.1156.7-87119.2000107.1
101R30.7Very low51.4Low204 Ų204141.9 Ų141.977%0.7772%0.722SS**  cis-155.779.41.3-174.1-173.7-177.7-179.12.9111S103R101-S103 PolarHBondContact O-N 3.32Å; R101-S103 VanDerWaalsContact O-N 3.16Å
102N31.4Very low48.6Very low178 Ų178151.4 Ų151.495%0.95276%0.758SS**  trans-86.870.9175.7-803.8000112.3
103S37.7Very low46.2Very low74 Ų74154.8 Ų154.852%0.51778%0.778SS.*  trans-93112.1168.253.20000110.3R101 H105R101-S103 PolarHBondContact O-N 3.32Å; R101-S103 VanDerWaalsContact O-N 3.16Å; S103-H105 PolarHBondContact O-N 2.91Å
104M33.1Very low43.4Very low166 Ų166151 Ų15182%0.81878%0.782SS**  trans-68.5110.3-178.4-67172.664.900112.3
105H41Very low40.9Very low178 Ų178152.1 Ų152.182%0.82480%0.798SS**  trans-101.2106.2155.4-79.5-64.3000109.9S103 G107S103-H105 PolarHBondContact O-N 2.91Å; H105-G107 PolarHBondContact O-N 3.44Å
106K35.9Very low38.7Very low202 Ų202151.5 Ų151.588%0.87880%0.796SS**  trans-63.7117163.6-72.9178.4174.7178.10107.8
107G34.2Very low37.5Very low69 Ų69152.5 Ų152.571%0.71180%0.803SS**  trans-16058.8-169.700000115.3H105H105-G107 PolarHBondContact O-N 3.44Å
108R35.8Very low36.6Very low235 Ų235153.4 Ų153.489%0.88779%0.794SS**  trans47.6118.8162.1-160.6-179.6-163.1-175.35.4118.1S110R108-S110 PolarHBondContact O-N 2.95Å
109P33.1Very low36Very low127 Ų127155.4 Ų155.483%0.82579%0.794SS**  trans-67.7127.517130-33.2000110.6
110S34.5Very low36.2Very low119 Ų119154.2 Ų154.283%0.83278%0.784SS**  trans-117140.5162.8-1660000108.7R108R108-S110 PolarHBondContact O-N 2.95Å
111I36.8Very low36.6Very low128 Ų128152 Ų15266%0.65678%0.777SS**  trans-95159.2-171.7-50.5176.7000109
112Y34.1Very low37.3Very low213 Ų213147.7 Ų147.784%0.83578%0.776SS**  trans79.683.5171.1-48.6-70.4000117.9
113S37.5Very low37.9Very low130 Ų130145.6 Ų145.691%0.90976%0.755SS**  trans-161.7135.9130.3-83.30000109.9
114G33.3Very low38Very low73 Ų73153 Ų15375%0.75377%0.772SS**  trans-83.9146-16300000115.8R116G114-R116 PolarHBondContact O-N 3.35Å
115P35.7Very low38.3Very low123 Ų123147.8 Ų147.880%0.79976%0.761SS**  trans-86.6107.3-174.632.9-34.3000113.6S117P115-S117 PolarHBondContact O-N 2.77Å
116R34.1Very low38.8Very low237 Ų237151.7 Ų151.789%0.89477%0.768SS**  trans-76.764.8161.6-75.2-169.3175.3-169.3-0.4111.4G114 H118G114-R116 PolarHBondContact O-N 3.35Å; R116-H118 PolarHBondContact O-N 3.3Å
117S42.4Very low39.7Very low93 Ų93147 Ų14765%0.6576%0.757SS**  trans-82.1105.9172.3-1740000110.1P115 R119P115-S117 PolarHBondContact O-N 2.77Å; S117-R119 VanDerWaalsContact C-N 3.31Å; S117-R119 PolarHBondContact O-N 2.93Å
118H39.9Very low40.9Very low138 Ų138147.4 Ų147.464%0.63975%0.753SS**  trans-69.787172.6-71.9-103.1000109.9R116 R120R116-H118 PolarHBondContact O-N 3.3Å; H118-R120 PolarHBondContact O-N 3.18Å
119R38.6Very low42.4Very low218 Ų218137.6 Ų137.682%0.82372%0.72SS**  trans-62.894.7173.9-76.5-171.8171.8-159.5-0.6110.6S117 V121S117-R119 VanDerWaalsContact C-N 3.31Å; S117-R119 PolarHBondContact O-N 2.93Å; R119-V121 PolarHBondContact O-N 3.17Å
120R40.5Very low44.5Very low173 Ų173138.6 Ų138.665%0.65372%0.717SS**PPolyproline II helixtrans-68.6123.2161.8-61.7-176.5-176.6-169.9-1.7108.2G71 H118G71-R120 WeakPolarHBondContact O-CD 3.23Å; G71-R120 PolarHBondContact O-NH1 2.9Å; H118-R120 PolarHBondContact O-N 3.18Å
121V48.1Very low46.9Very low114 Ų114133.2 Ų133.269%0.69168%0.678SS**PPolyproline II helixtrans-81.1128.9178.2-176.30000108.7R119 Y123R119-V121 PolarHBondContact O-N 3.17Å; V121-Y123 PolarHBondContact O-N 3.22Å
122P44.5Very low49.3Very low114 Ų114129.6 Ų129.674%0.7466%0.663SS**PPolyproline II helixtrans-72.5129.9-18028.5-33.8000111.4R124P122-R124 PolarHBondContact O-N 2.97Å
123Y44.3Very low51.6Low134 Ų134123.5 Ų123.553%0.52566%0.657SS.*PPolyproline II helixtrans-65.8119.6-179.9-156.2-78.9000110.7V121 G171V121-Y123 PolarHBondContact O-N 3.22Å; Y123-G171 VanDerWaalsContact CE2-O 3.29Å; Y123-G171 WeakPolarHBondContact CE2-O 3.23Å
124R40.3Very low54Low228 Ų228122 Ų12286%0.8664%0.642SS**  trans-105.3111.3178.6-152.6-178-160.4-1475.9108.8P122P122-R124 PolarHBondContact O-N 2.97Å
125G39.8Very low56.7Low57 Ų57118.8 Ų118.859%0.58861%0.608SS**THydrogen-bonded Turntrans-61.3156.6-164.700000116.3
126R51.5Low59.3Low260 Ų260114.9 Ų114.998%0.98158%0.578SS**THydrogen-bonded Turntrans74.64.7178.5-51.7-167-169.5-1348.6118.4
127V55Low61.8Low105 Ų105106.1 Ų106.164%0.63655%0.553SS**SBendtrans-123.1128.4170-174.20000108.9
128A58.7Low64.2Low77 Ų77102.9 Ų102.964%0.63653%0.528SS*.  trans-64.1138.4175.600000110.3I130A128-I130 PolarHBondContact O-N 2.95Å
129P67.1Low66.7Low29 Ų2996.5 Ų96.519%0.18850%0.498CS..  trans-59.4125.1179.623.3-33.7000111.3L131 F172P129-L131 PolarHBondContact O-N 3.11Å; P129-F172 HydrophobicContact CB-CD1 4.34Å; P129-F172 HydrophobicContact CB-CE1 4.03Å; P129-F172 HydrophobicContact CB-CE2 4.2Å; P129-F172 HydrophobicContact CB-CZ 3.93Å; P129-F172 HydrophobicContact CG-CD1 3.59Å; P129-F172 HydrophobicContact CG-CD2 4.5Å; P129-F172 HydrophobicContact CG-CE1 3.56Å; P129-F172 HydrophobicContact CG-CE2 4.45Å; P129-F172 HydrophobicContact CG-CG 4.08Å; P129-F172 HydrophobicContact CG-CZ 4Å; P129-F172 WeakPolarHBondContact O-CE1 3.18Å; P129-F172 VanDerWaalsContact O-CZ 3.3Å; P129-F172 WeakPolarHBondContact O-CZ 3.21Å
130I77.2Confident69.2Low148 Ų14890.9 Ų90.976%0.75948%0.48SS*.  trans-80.3115.6175.6-59175.8000108A128 P132A128-I130 PolarHBondContact O-N 2.95Å; I130-P132 WeakPolarHBondContact O-CD 3.39Å
131L84.5Confident71.6Confident5 Ų586.5 Ų86.53%0.02647%0.469CS..  trans-60.2118.5178.9-172.661.8000109.8P129 V135 K136 L139 F172 V178 A181 A182P129-L131 PolarHBondContact O-N 3.11Å; L131-V135 HydrophobicContact CD1-CB 4.05Å; L131-V135 HydrophobicContact CD1-CG1 3.74Å; L131-V135 HydrophobicContact CG-CB 4.37Å; L131-V135 HydrophobicContact CG-CG1 4.36Å; L131-K136 HydrophobicContact CB-CG 4.27Å; L131-K136 HydrophobicContact CD2-CG 3.81Å; L131-K136 HydrophobicContact CG-CG 3.93Å; L131-L139 HydrophobicContact CD2-CD1 3.85Å; L131-F172 HydrophobicContact CB-CE2 4.29Å; L131-F172 HydrophobicContact CB-CZ 3.76Å; L131-F172 HydrophobicContact CD1-CD2 4.45Å; L131-F172 HydrophobicContact CD1-CE2 3.56Å; L131-F172 HydrophobicContact CD1-CZ 3.83Å; L131-F172 HydrophobicContact CG-CZ 4.38Å; L131-V178 HydrophobicContact CD1-CG1 4.1Å; L131-V178 HydrophobicContact CD2-CG1 4.04Å; L131-A181 HydrophobicContact CB-CB 4.12Å; L131-A182 HydrophobicContact CD2-CB 3.81Å
132P87.2Confident73.7Confident53 Ų5381.5 Ų81.534%0.34444%0.438SS..  trans-60.1143.9-172.1-25.634.6000112.4I130 V134 V135 K136 Y170I130-P132 WeakPolarHBondContact O-CD 3.39Å; P132-V134 PolarHBondContact O-N 3.26Å; P132-V134 VanDerWaalsContact O-N 3.12Å; P132-V135 HydrophobicContact CB-CG2 4.16Å; P132-V135 HydrophobicContact CG-CG2 4.29Å; P132-V135 WeakPolarHBondContact O-CA 3.34Å; P132-V135 WeakPolarHBondContact O-CB 3.28Å; P132-V135 PolarHBondContact O-N 2.89Å; P132-K136 PolarHBondContact O-N 3.3Å; P132-Y170 HydrophobicContact CG-CD1 4.35Å
133A84.1Confident76.1Confident84 Ų8476.5 Ų76.569%0.69441%0.406SS*.Hα-helixtrans-54.4-37.2-175.700000113.4K136 S137A133-K136 PolarHBondContact O-N 2.98Å; A133-S137 PolarHBondContact O-N 3.47Å; A133-S137 PolarHBondContact O-OG 2.88Å
134V87.8Confident78.2Confident100 Ų10073.2 Ų73.261%0.60641%0.406SS*.Hα-helixtrans-60.7-44174.7-179.40000111.6P132 S137 E138P132-V134 PolarHBondContact O-N 3.26Å; P132-V134 VanDerWaalsContact O-N 3.12Å; V134-S137 WeakPolarHBondContact CA-OG 3.47Å; V134-S137 PolarHBondContact O-N 3.46Å; V134-S137 PolarHBondContact O-OG 2.96Å; V134-E138 WeakPolarHBondContact O-CG 3.41Å; V134-E138 PolarHBondContact O-N 3.49Å
135V89.1Confident80.2Confident4 Ų468.7 Ų68.72%0.02440%0.398CS..Hα-helixtrans-69.6-37.3178.1-1720000110.3L131 P132 S137 E138 L139 F165 Y170L131-V135 HydrophobicContact CD1-CB 4.05Å; L131-V135 HydrophobicContact CD1-CG1 3.74Å; L131-V135 HydrophobicContact CG-CB 4.37Å; L131-V135 HydrophobicContact CG-CG1 4.36Å; P132-V135 HydrophobicContact CB-CG2 4.16Å; P132-V135 HydrophobicContact CG-CG2 4.29Å; P132-V135 WeakPolarHBondContact O-CA 3.34Å; P132-V135 WeakPolarHBondContact O-CB 3.28Å; P132-V135 PolarHBondContact O-N 2.89Å; V135-S137 VanDerWaalsContact C-N 3.32Å; V135-S137 PolarHBondContact O-N 3.01Å; V135-E138 PolarHBondContact O-N 3.28Å; V135-L139 WeakPolarHBondContact O-CG 3.32Å; V135-L139 PolarHBondContact O-N 3.39Å; V135-F165 HydrophobicContact CG1-CE2 3.68Å; V135-F165 HydrophobicContact CG1-CZ 3.92Å; V135-Y170 HydrophobicContact CG1-CD2 4.37Å; V135-Y170 HydrophobicContact CG1-CE2 4.05Å; V135-Y170 HydrophobicContact CG2-CD1 4.02Å; V135-Y170 HydrophobicContact CG2-CD2 4.22Å; V135-Y170 HydrophobicContact CG2-CE1 3.66Å; V135-Y170 HydrophobicContact CG2-CE2 3.87Å; V135-Y170 HydrophobicContact CG2-CG 4.28Å
136K89.6Confident82.4Confident42 Ų4268.9 Ų68.918%0.18339%0.391CS..Hα-helixtrans-61-37170.5-73.4-158.5177.6-158.60112.6L131 P132 A133 K140 A181 D184L131-K136 HydrophobicContact CB-CG 4.27Å; L131-K136 HydrophobicContact CD2-CG 3.81Å; L131-K136 HydrophobicContact CG-CG 3.93Å; P132-K136 PolarHBondContact O-N 3.3Å; A133-K136 PolarHBondContact O-N 2.98Å; K136-K140 WeakPolarHBondContact O-CG 3.36Å; K136-K140 PolarHBondContact O-N 3.45Å; K136-K140 VanDerWaalsContact O-N 3.08Å; K136-A181 WeakPolarHBondContact CE-O 3.4Å; K136-A181 PolarHBondContact NZ-O 2.99Å; K136-D184 IonicContact NZ-OD1 3.29Å; K136-D184 PolarHBondContact NZ-OD1 3.02Å; K136-D184 IonicContact NZ-OD2 2.69Å; K136-D184 PolarHBondContact NZ-OD2 3.18Å
137S88.3Confident84.3Confident52 Ų5259.8 Ų59.836%0.36437%0.365SS..Hα-helixtrans-69.9-40.617240.40000113A133 V134 V135 L139 K140 D141A133-S137 PolarHBondContact O-N 3.47Å; A133-S137 PolarHBondContact O-OG 2.88Å; V134-S137 WeakPolarHBondContact CA-OG 3.47Å; V134-S137 PolarHBondContact O-N 3.46Å; V134-S137 PolarHBondContact O-OG 2.96Å; V135-S137 VanDerWaalsContact C-N 3.32Å; V135-S137 PolarHBondContact O-N 3.01Å; S137-L139 VanDerWaalsContact C-N 3.3Å; S137-L139 PolarHBondContact O-N 3.31Å; S137-K140 WeakPolarHBondContact O-CB 3.3Å; S137-K140 PolarHBondContact O-N 3.26Å; S137-K140 VanDerWaalsContact O-N 3.14Å; S137-D141 WeakPolarHBondContact O-CB 3.46Å; S137-D141 PolarHBondContact O-N 3.16Å
138E91.9Very high86.1Confident26 Ų2655.3 Ų55.312%0.12134%0.338CS..Hα-helixtrans-59.7-40.6175.2-70.4176.7130.800111.7V134 V135 D141 L142 F157 F161 R163V134-E138 WeakPolarHBondContact O-CG 3.41Å; V134-E138 PolarHBondContact O-N 3.49Å; V135-E138 PolarHBondContact O-N 3.28Å; E138-D141 PolarHBondContact O-N 3.17Å; E138-L142 WeakPolarHBondContact O-CB 3.46Å; E138-L142 PolarHBondContact O-N 2.93Å; E138-F157 HydrophobicContact CB-CE2 4.04Å; E138-F157 HydrophobicContact CB-CZ 4.29Å; E138-F161 HydrophobicContact CB-CE1 4.05Å; E138-F161 HydrophobicContact CB-CE2 4Å; E138-F161 HydrophobicContact CB-CZ 3.71Å; E138-F161 HydrophobicContact CG-CD1 4.23Å; E138-F161 HydrophobicContact CG-CE1 3.88Å; E138-F161 HydrophobicContact CG-CZ 4.09Å; E138-F161 WeakPolarHBondContact O-CE2 3.26Å; E138-F161 WeakPolarHBondContact O-CZ 3.38Å; E138-R163 IonicContact OE1-CZ 2.72Å; E138-R163 IonicContact OE1-NE 2.72Å; E138-R163 IonicContact OE1-NH2 2.74Å; E138-R163 PolarHBondContact OE1-NH2 3.07Å; E138-R163 IonicContact OE2-NH2 3.16Å; E138-R163 PolarHBondContact OE2-NH2 3.27Å
139L92.2Very high87.7Confident4 Ų453.9 Ų53.92%0.02132%0.32CS..Hα-helixtrans-68.2-37.3174.9-64.4175.8000112.8L131 V135 S137 L143 F153 F157 F165 V178 A182 I186L131-L139 HydrophobicContact CD2-CD1 3.85Å; V135-L139 WeakPolarHBondContact O-CG 3.32Å; V135-L139 PolarHBondContact O-N 3.39Å; S137-L139 VanDerWaalsContact C-N 3.3Å; S137-L139 PolarHBondContact O-N 3.31Å; L139-L143 WeakPolarHBondContact O-CG 3.15Å; L139-L143 PolarHBondContact O-N 3.26Å; L139-F153 HydrophobicContact CD2-CE2 3.67Å; L139-F153 HydrophobicContact CD2-CZ 3.57Å; L139-F157 HydrophobicContact CD2-CD2 4.48Å; L139-F157 HydrophobicContact CD2-CE2 4.46Å; L139-F165 HydrophobicContact CD2-CE2 4.12Å; L139-F165 HydrophobicContact CD2-CZ 4.36Å; L139-V178 HydrophobicContact CD1-CG1 4.27Å; L139-A182 HydrophobicContact CD1-CB 4.45Å; L139-I186 HydrophobicContact CB-CD1 4.18Å; L139-I186 HydrophobicContact CD1-CD1 4.07Å
140K91.5Very high88.9Confident100 Ų10055.3 Ų55.344%0.43533%0.325SS..Hα-helixtrans-61.2-50.5171.4-77.4-177.6179-174.60111.3K136 S137 L142 L143 A144 V185 L199K136-K140 WeakPolarHBondContact O-CG 3.36Å; K136-K140 PolarHBondContact O-N 3.45Å; K136-K140 VanDerWaalsContact O-N 3.08Å; S137-K140 WeakPolarHBondContact O-CB 3.3Å; S137-K140 PolarHBondContact O-N 3.26Å; S137-K140 VanDerWaalsContact O-N 3.14Å; K140-L142 VanDerWaalsContact C-N 3.27Å; K140-L142 PolarHBondContact O-N 3.32Å; K140-L143 PolarHBondContact O-N 2.85Å; K140-A144 WeakPolarHBondContact O-CB 3.38Å; K140-A144 PolarHBondContact O-N 2.94Å; K140-V185 HydrophobicContact CD-CG1 4.12Å; K140-V185 HydrophobicContact CG-CG1 3.4Å; K140-L199 HydrophobicContact CB-CD1 4.47Å; K140-L199 HydrophobicContact CG-CD1 4.07Å
141D91Very high89.5Confident81 Ų8151.5 Ų51.543%0.43331%0.312SS..Hα-helixtrans-62.7-36.2-176.4-75.5-6.7000111.6S137 E138 R160 F161S137-D141 WeakPolarHBondContact O-CB 3.46Å; S137-D141 PolarHBondContact O-N 3.16Å; E138-D141 PolarHBondContact O-N 3.17Å; D141-R160 VanDerWaalsContact O-CZ 3.31Å; D141-R160 PolarHBondContact O-NH1 2.88Å; D141-R160 PolarHBondContact O-NH2 3.12Å; D141-R160 VanDerWaalsContact O-NH2 3.1Å; D141-F161 HydrophobicContact CB-CZ 4.27Å
142L93Very high89.9Confident8 Ų854 Ų544%0.04233%0.325CS..Hα-helixtrans-61.3-56.8172.9-173.665.2000111.4E138 K140 A144 L145 V148 F153 A156 F157 R160 F161E138-L142 WeakPolarHBondContact O-CB 3.46Å; E138-L142 PolarHBondContact O-N 2.93Å; K140-L142 VanDerWaalsContact C-N 3.27Å; K140-L142 PolarHBondContact O-N 3.32Å; L142-A144 VanDerWaalsContact C-N 3.26Å; L142-A144 PolarHBondContact O-N 2.91Å; L142-L145 PolarHBondContact O-N 3.12Å; L142-V148 HydrophobicContact CG-CG2 4.47Å; L142-F153 HydrophobicContact CD2-CD2 4.04Å; L142-F153 HydrophobicContact CD2-CE2 3.71Å; L142-A156 HydrophobicContact CD1-CB 4.12Å; L142-F157 HydrophobicContact CD2-CB 4.28Å; L142-F157 HydrophobicContact CD2-CD2 4.19Å; L142-R160 HydrophobicContact CD1-CB 3.92Å; L142-R160 HydrophobicContact CD1-CG 4.32Å; L142-F161 HydrophobicContact CB-CE2 4.26Å
143L93Very high90.2Very high10 Ų1051.8 Ų51.85%0.05231%0.31CS..Hα-helixtrans-76-10.4-175-60.4178.7000114.1L139 K140 L145 V148 I186 L197 L199L139-L143 WeakPolarHBondContact O-CG 3.15Å; L139-L143 PolarHBondContact O-N 3.26Å; K140-L143 PolarHBondContact O-N 2.85Å; L143-L145 VanDerWaalsContact C-N 3.33Å; L143-V148 HydrophobicContact CD2-CB 4Å; L143-V148 HydrophobicContact CD2-CG2 3.94Å; L143-I186 HydrophobicContact CD1-CB 4.44Å; L143-I186 HydrophobicContact CD1-CD1 4.01Å; L143-I186 HydrophobicContact CD1-CG1 3.9Å; L143-I186 HydrophobicContact CD1-CG2 3.89Å; L143-L197 HydrophobicContact CD1-CB 4.23Å; L143-L197 HydrophobicContact CD2-CB 3.82Å; L143-L199 HydrophobicContact CB-CB 4.11Å
144A88.6Confident90.5Very high65 Ų6552.6 Ų52.654%0.53730%0.3SS..THydrogen-bonded Turntrans-75.2-17.9173.200000113.6K140 L142 L199K140-A144 WeakPolarHBondContact O-CB 3.38Å; K140-A144 PolarHBondContact O-N 2.94Å; L142-A144 VanDerWaalsContact C-N 3.26Å; L142-A144 PolarHBondContact O-N 2.91Å; A144-L199 HydrophobicContact CB-CD2 4.42Å
145L82.3Confident90.6Very high132 Ų13254.2 Ų54.269%0.69130%0.298SS*.THydrogen-bonded Turntrans-84.7-48.6173-67.8-174000112L142 L143L142-L145 PolarHBondContact O-N 3.12Å; L143-L145 VanDerWaalsContact C-N 3.33Å
146S86.6Confident90.7Very high62 Ų6255.2 Ų55.243%0.43431%0.307SS..  trans-157.8160.4-179.8690000110.7
147P91.6Very high90.9Very high68 Ų6853.2 Ų53.244%0.44230%0.298SS..  trans-56.9154.3159.2-20.634.7000111L196 L197 M198P147-L196 HydrophobicContact CB-CD1 3.82Å; P147-L196 HydrophobicContact CB-CD2 4.01Å; P147-L196 HydrophobicContact CB-CG 3.93Å; P147-L197 VanDerWaalsContact CA-O 3.31Å; P147-L197 WeakPolarHBondContact CA-O 3.31Å; P147-M198 HydrophobicContact CB-SD 3.64Å; P147-M198 HydrophobicContact CG-SD 3.43Å; P147-M198 WeakPolarHBondContact CG-SD 3.48Å
148V92.7Very high91.1Very high12 Ų1252.5 Ų52.57%0.07330%0.296CS..EExtended strand (participates in β ladder)trans-138.1126-178.2177.30000109.8L142 L143 F153 A156 L197L142-V148 HydrophobicContact CG-CG2 4.47Å; L143-V148 HydrophobicContact CD2-CB 4Å; L143-V148 HydrophobicContact CD2-CG2 3.94Å; V148-F153 HydrophobicContact CG1-CB 4.38Å; V148-A156 HydrophobicContact CG1-CB 3.83Å; V148-A156 HydrophobicContact CG2-CB 4.26Å; V148-L197 PolarHBondContact N-O 3.04Å; V148-L197 VanDerWaalsContact N-O 3.1Å; V148-L197 VanDerWaalsContact O-CB 3.31Å; V148-L197 WeakPolarHBondContact O-CB 3.11Å; V148-L197 PolarHBondContact O-N 2.86Å
149L92.6Very high91Very high46 Ų4660.4 Ų60.424%0.24133%0.33CS..EExtended strand (participates in β ladder)trans-68.1140.9171.4-75.1169.2000110.3S151 D152 F153 A193 L196L149-S151 WeakPolarHBondContact CB-OG 3.45Å; L149-S151 PolarHBondContact O-N 2.94Å; L149-D152 CarbonylContact O-C 3.55Å; L149-D152 PolarHBondContact O-N 3.3Å; L149-F153 PolarHBondContact O-N 2.96Å; L149-A193 HydrophobicContact CD1-CB 3.91Å; L149-A193 HydrophobicContact CD2-CB 4.18Å; L149-L196 HydrophobicContact CD2-CB 4.28Å; L149-L196 HydrophobicContact CD2-CD1 3.92Å; L149-L196 HydrophobicContact CG-CD1 4.01Å
150L91.8Very high90.9Very high59 Ų5964.9 Ų64.931%0.30935%0.346SS..G310 helixtrans-57.3-33.9-179.7-170.759000112.5D152 F153 M175 L179 S195 L197L150-D152 PolarHBondContact O-N 3.01Å; L150-F153 WeakPolarHBondContact O-CB 3.36Å; L150-F153 PolarHBondContact O-N 2.79Å; L150-M175 HydrophobicContact CD1-CG 3.85Å; L150-L179 HydrophobicContact CD1-CD1 4.19Å; L150-S195 PolarHBondContact N-O 2.91Å; L150-L197 HydrophobicContact CD1-CD1 4.25Å
151S90.5Very high90.9Very high68 Ų6862.6 Ų62.648%0.47634%0.337SS..G310 helixtrans-61.5-20.5173530000115.4L149 K155L149-S151 WeakPolarHBondContact CB-OG 3.45Å; L149-S151 PolarHBondContact O-N 2.94Å; S151-K155 PolarHBondContact O-NZ 2.76Å
152D92Very high90.7Very high58 Ų5862.4 Ų62.431%0.3135%0.353SS..G310 helixtrans-119.93.9-176.9-63.8-79.4000111.7L149 L150 E154 K155 A156L149-D152 CarbonylContact O-C 3.55Å; L149-D152 PolarHBondContact O-N 3.3Å; L150-D152 PolarHBondContact O-N 3.01Å; D152-E154 PolarHBondContact O-N 2.77Å; D152-K155 HydrophobicContact CB-CD 4.46Å; D152-K155 WeakPolarHBondContact O-CB 3.4Å; D152-K155 PolarHBondContact O-N 2.77Å; D152-K155 WeakPolarHBondContact OD1-CD 3.47Å; D152-K155 IonicContact OD1-NZ 2.66Å; D152-K155 PolarHBondContact OD1-NZ 3.36Å; D152-A156 WeakPolarHBondContact O-CB 3.16Å; D152-A156 PolarHBondContact O-N 2.94Å
153F93.4Very high90.6Very high6 Ų666.4 Ų66.43%0.02637%0.368CS..Hα-helixtrans-56.9-47.5-178.2172.3-95.4000112.4L139 L142 V148 L149 L150 K155 A156 F157 F165 M175 L197L139-F153 HydrophobicContact CD2-CE2 3.67Å; L139-F153 HydrophobicContact CD2-CZ 3.57Å; L142-F153 HydrophobicContact CD2-CD2 4.04Å; L142-F153 HydrophobicContact CD2-CE2 3.71Å; V148-F153 HydrophobicContact CG1-CB 4.38Å; L149-F153 PolarHBondContact O-N 2.96Å; L150-F153 WeakPolarHBondContact O-CB 3.36Å; L150-F153 PolarHBondContact O-N 2.79Å; F153-K155 PolarHBondContact O-N 3.42Å; F153-A156 PolarHBondContact O-N 3.45Å; F153-F157 HydrophobicContact CE1-CB 4.46Å; F153-F157 HydrophobicContact CZ-CB 4.37Å; F153-F157 HydrophobicContact CZ-CD2 4.02Å; F153-F157 HydrophobicContact CZ-CG 4.44Å; F153-F157 WeakPolarHBondContact O-CB 3.47Å; F153-F157 PolarHBondContact O-N 3.46Å; F153-F165 HydrophobicContact CE1-CB 3.77Å; F153-F165 AromaticContact CE1-CD1 3.67Å; F153-F165 HydrophobicContact CE1-CD1 3.67Å; F153-F165 HydrophobicContact CE1-CD2 4.21Å; F153-F165 HydrophobicContact CE1-CE1 4.29Å; F153-F165 AromaticContact CE1-CG 3.61Å; F153-F165 HydrophobicContact CE1-CG 3.61Å; F153-F165 HydrophobicContact CZ-CB 4.44Å; F153-F165 HydrophobicContact CZ-CD1 4.16Å; F153-F165 HydrophobicContact CZ-CD2 4.11Å; F153-F165 HydrophobicContact CZ-CE1 4.44Å; F153-F165 HydrophobicContact CZ-CE2 4.4Å; F153-F165 AromaticContact CZ-CG 3.98Å; F153-F165 HydrophobicContact CZ-CG 3.98Å; F153-M175 HydrophobicContact CD1-CE 3.56Å; F153-M175 HydrophobicContact CD1-SD 4.05Å; F153-M175 HydrophobicContact CE1-CE 3.59Å; F153-M175 HydrophobicContact CE1-SD 3.82Å; F153-M175 HydrophobicContact CZ-SD 4.46Å; F153-L197 HydrophobicContact CB-CD1 4.45Å; F153-L197 HydrophobicContact CD2-CD1 3.67Å; F153-L197 HydrophobicContact CE2-CD1 4.35Å; F153-L197 HydrophobicContact CG-CD1 4.29Å
154E90.4Very high90.2Very high101 Ų10168.4 Ų68.447%0.47238%0.383SS..Hα-helixtrans-66.9-39179.3-177.5164.1-134.500112D152 A156 F157 A158 S164 F165D152-E154 PolarHBondContact O-N 2.77Å; E154-A156 VanDerWaalsContact C-N 3.33Å; E154-A156 PolarHBondContact O-N 2.92Å; E154-F157 PolarHBondContact O-N 2.88Å; E154-A158 WeakPolarHBondContact O-CB 3.46Å; E154-A158 PolarHBondContact O-N 3Å; E154-S164 WeakPolarHBondContact OE1-CB 3.41Å; E154-F165 PolarHBondContact OE1-N 2.94Å
155K90.3Very high90.3Very high134 Ų13465.7 Ų65.758%0.58336%0.359SS*.Hα-helixtrans-60.2-44.6174.8-57.5171.4-171.1131.80110.7S151 D152 F153 K159S151-K155 PolarHBondContact O-NZ 2.76Å; D152-K155 HydrophobicContact CB-CD 4.46Å; D152-K155 WeakPolarHBondContact O-CB 3.4Å; D152-K155 PolarHBondContact O-N 2.77Å; D152-K155 WeakPolarHBondContact OD1-CD 3.47Å; D152-K155 IonicContact OD1-NZ 2.66Å; D152-K155 PolarHBondContact OD1-NZ 3.36Å; F153-K155 PolarHBondContact O-N 3.42Å; K155-K159 WeakPolarHBondContact O-CB 3.44Å; K155-K159 PolarHBondContact O-N 3.39Å
156A91.8Very high90.5Very high25 Ų2564 Ų6421%0.20735%0.348CS..Hα-helixtrans-67.7-43.917900000112.1L142 V148 D152 F153 E154 K159 R160L142-A156 HydrophobicContact CD1-CB 4.12Å; V148-A156 HydrophobicContact CG1-CB 3.83Å; V148-A156 HydrophobicContact CG2-CB 4.26Å; D152-A156 WeakPolarHBondContact O-CB 3.16Å; D152-A156 PolarHBondContact O-N 2.94Å; F153-A156 PolarHBondContact O-N 3.45Å; E154-A156 VanDerWaalsContact C-N 3.33Å; E154-A156 PolarHBondContact O-N 2.92Å; A156-K159 PolarHBondContact O-N 3.5Å; A156-R160 WeakPolarHBondContact O-CB 3.25Å; A156-R160 PolarHBondContact O-N 2.79Å
157F93.7Very high90.6Very high0 Ų063 Ų630%033%0.334CS..Hα-helixtrans-64.8-45.9177.1-167.9-82.5000111.1E138 L139 L142 F153 E154 K159 R160 F161 R163 F165E138-F157 HydrophobicContact CB-CE2 4.04Å; E138-F157 HydrophobicContact CB-CZ 4.29Å; L139-F157 HydrophobicContact CD2-CD2 4.48Å; L139-F157 HydrophobicContact CD2-CE2 4.46Å; L142-F157 HydrophobicContact CD2-CB 4.28Å; L142-F157 HydrophobicContact CD2-CD2 4.19Å; F153-F157 HydrophobicContact CE1-CB 4.46Å; F153-F157 HydrophobicContact CZ-CB 4.37Å; F153-F157 HydrophobicContact CZ-CD2 4.02Å; F153-F157 HydrophobicContact CZ-CG 4.44Å; F153-F157 WeakPolarHBondContact O-CB 3.47Å; F153-F157 PolarHBondContact O-N 3.46Å; E154-F157 PolarHBondContact O-N 2.88Å; F157-K159 PolarHBondContact O-N 3.31Å; F157-R160 PolarHBondContact O-N 2.85Å; F157-F161 HydrophobicContact CD1-CB 4.39Å; F157-F161 AromaticContact CD1-CD2 3.98Å; F157-F161 HydrophobicContact CD1-CD2 3.98Å; F157-F161 AromaticContact CD2-CD2 3.65Å; F157-F161 HydrophobicContact CD2-CD2 3.65Å; F157-F161 AromaticContact CD2-CE2 3.85Å; F157-F161 HydrophobicContact CD2-CE2 3.85Å; F157-F161 HydrophobicContact CE1-CB 3.95Å; F157-F161 AromaticContact CE1-CD2 3.8Å; F157-F161 HydrophobicContact CE1-CD2 3.8Å; F157-F161 HydrophobicContact CE1-CG 4.19Å; F157-F161 AromaticContact CE2-CD2 3.44Å; F157-F161 HydrophobicContact CE2-CD2 3.44Å; F157-F161 VanDerWaalsContact CE2-CD2 3.44Å; F157-F161 AromaticContact CE2-CE2 3.64Å; F157-F161 HydrophobicContact CE2-CE2 3.64Å; F157-F161 HydrophobicContact CE2-CG 4.38Å; F157-F161 AromaticContact CG-CD2 3.89Å; F157-F161 HydrophobicContact CG-CD2 3.89Å; F157-F161 HydrophobicContact CG-CE2 4.48Å; F157-F161 HydrophobicContact CZ-CB 4.25Å; F157-F161 AromaticContact CZ-CD2 3.51Å; F157-F161 HydrophobicContact CZ-CD2 3.51Å; F157-F161 HydrophobicContact CZ-CE2 4.12Å; F157-F161 HydrophobicContact CZ-CG 4.03Å; F157-F161 WeakPolarHBondContact O-CD2 3.31Å; F157-F161 PolarHBondContact O-N 3.37Å; F157-R163 WeakPolarHBondContact CD1-O 3.5Å; F157-R163 HydrophobicContact CE1-CG 4.05Å; F157-F165 HydrophobicContact CD1-CB 3.95Å; F157-F165 HydrophobicContact CD1-CD2 4.07Å; F157-F165 AromaticContact CD2-CD2 3.75Å; F157-F165 HydrophobicContact CD2-CD2 3.75Å; F157-F165 HydrophobicContact CD2-CE2 4.4Å; F157-F165 HydrophobicContact CE1-CB 4.38Å; F157-F165 AromaticContact CE1-CD2 3.87Å; F157-F165 HydrophobicContact CE1-CD2 3.87Å; F157-F165 AromaticContact CE2-CD2 3.54Å; F157-F165 HydrophobicContact CE2-CD2 3.54Å; F157-F165 AromaticContact CE2-CE2 3.92Å; F157-F165 HydrophobicContact CE2-CE2 3.92Å; F157-F165 HydrophobicContact CG-CB 4.1Å; F157-F165 HydrophobicContact CG-CD2 4.05Å; F157-F165 HydrophobicContact CG-CG 4.49Å; F157-F165 AromaticContact CZ-CD2 3.62Å; F157-F165 HydrophobicContact CZ-CD2 3.62Å; F157-F165 HydrophobicContact CZ-CE2 4.18Å
158A91.4Very high90Very high37 Ų3765.4 Ų65.431%0.30634%0.341SS..Hα-helixtrans-62.4-41.6175.600000112.1E154 R160 G162 R163E154-A158 WeakPolarHBondContact O-CB 3.46Å; E154-A158 PolarHBondContact O-N 3Å; A158-R160 VanDerWaalsContact C-N 3.27Å; A158-R160 PolarHBondContact O-N 2.93Å; A158-G162 VanDerWaalsContact O-CA 3.3Å; A158-G162 WeakPolarHBondContact O-CA 3.44Å; A158-G162 PolarHBondContact O-N 2.9Å; A158-R163 WeakPolarHBondContact CA-O 3.48Å
159K90.3Very high89.4Confident193 Ų19368.4 Ų68.484%0.83936%0.355SS*.Hα-helixtrans-63.2-30.1174.8-175.3173.7-178.4176.20113K155 A156 F157K155-K159 WeakPolarHBondContact O-CB 3.44Å; K155-K159 PolarHBondContact O-N 3.39Å; A156-K159 PolarHBondContact O-N 3.5Å; F157-K159 PolarHBondContact O-N 3.31Å
160R89.7Confident88.9Confident97 Ų9768.3 Ų68.337%0.36635%0.351SS..Hα-helixtrans-90.4-36.3-179-174.359.7171.9-70.5-4.8114.2D141 L142 A156 F157 A158D141-R160 VanDerWaalsContact O-CZ 3.31Å; D141-R160 PolarHBondContact O-NH1 2.88Å; D141-R160 PolarHBondContact O-NH2 3.12Å; D141-R160 VanDerWaalsContact O-NH2 3.1Å; L142-R160 HydrophobicContact CD1-CB 3.92Å; L142-R160 HydrophobicContact CD1-CG 4.32Å; A156-R160 WeakPolarHBondContact O-CB 3.25Å; A156-R160 PolarHBondContact O-N 2.79Å; F157-R160 PolarHBondContact O-N 2.85Å; A158-R160 VanDerWaalsContact C-N 3.27Å; A158-R160 PolarHBondContact O-N 2.93Å
161F91.8Very high88.3Confident53 Ų5366.6 Ų66.623%0.23235%0.347CS..Hα-helixtrans-119.21.1-170.9-58.3-71000114.6E138 D141 L142 F157 R163E138-F161 HydrophobicContact CB-CE1 4.05Å; E138-F161 HydrophobicContact CB-CE2 4Å; E138-F161 HydrophobicContact CB-CZ 3.71Å; E138-F161 HydrophobicContact CG-CD1 4.23Å; E138-F161 HydrophobicContact CG-CE1 3.88Å; E138-F161 HydrophobicContact CG-CZ 4.09Å; E138-F161 WeakPolarHBondContact O-CE2 3.26Å; E138-F161 WeakPolarHBondContact O-CZ 3.38Å; D141-F161 HydrophobicContact CB-CZ 4.27Å; L142-F161 HydrophobicContact CB-CE2 4.26Å; F157-F161 HydrophobicContact CD1-CB 4.39Å; F157-F161 AromaticContact CD1-CD2 3.98Å; F157-F161 HydrophobicContact CD1-CD2 3.98Å; F157-F161 AromaticContact CD2-CD2 3.65Å; F157-F161 HydrophobicContact CD2-CD2 3.65Å; F157-F161 AromaticContact CD2-CE2 3.85Å; F157-F161 HydrophobicContact CD2-CE2 3.85Å; F157-F161 HydrophobicContact CE1-CB 3.95Å; F157-F161 AromaticContact CE1-CD2 3.8Å; F157-F161 HydrophobicContact CE1-CD2 3.8Å; F157-F161 HydrophobicContact CE1-CG 4.19Å; F157-F161 AromaticContact CE2-CD2 3.44Å; F157-F161 HydrophobicContact CE2-CD2 3.44Å; F157-F161 VanDerWaalsContact CE2-CD2 3.44Å; F157-F161 AromaticContact CE2-CE2 3.64Å; F157-F161 HydrophobicContact CE2-CE2 3.64Å; F157-F161 HydrophobicContact CE2-CG 4.38Å; F157-F161 AromaticContact CG-CD2 3.89Å; F157-F161 HydrophobicContact CG-CD2 3.89Å; F157-F161 HydrophobicContact CG-CE2 4.48Å; F157-F161 HydrophobicContact CZ-CB 4.25Å; F157-F161 AromaticContact CZ-CD2 3.51Å; F157-F161 HydrophobicContact CZ-CD2 3.51Å; F157-F161 HydrophobicContact CZ-CE2 4.12Å; F157-F161 HydrophobicContact CZ-CG 4.03Å; F157-F161 WeakPolarHBondContact O-CD2 3.31Å; F157-F161 PolarHBondContact O-N 3.37Å; F161-R163 HydrophobicContact CB-CG 4.29Å; F161-R163 PolarHBondContact O-N 3.07Å
162G87.5Confident87.9Confident76 Ų7663.5 Ų63.578%0.78433%0.326SS*.SBendtrans67.316.3176.400000115A158A158-G162 VanDerWaalsContact O-CA 3.3Å; A158-G162 WeakPolarHBondContact O-CA 3.44Å; A158-G162 PolarHBondContact O-N 2.9Å
163R90.1Very high87.3Confident93 Ų9365.5 Ų65.535%0.35134%0.336SS..SBendtrans-148.9148.5-176.367.5-165.4-173.8107.3-7.1111.4E138 F157 A158 F161 Y170E138-R163 IonicContact OE1-CZ 2.72Å; E138-R163 IonicContact OE1-NE 2.72Å; E138-R163 IonicContact OE1-NH2 2.74Å; E138-R163 PolarHBondContact OE1-NH2 3.07Å; E138-R163 IonicContact OE2-NH2 3.16Å; E138-R163 PolarHBondContact OE2-NH2 3.27Å; F157-R163 WeakPolarHBondContact CD1-O 3.5Å; F157-R163 HydrophobicContact CE1-CG 4.05Å; A158-R163 WeakPolarHBondContact CA-O 3.48Å; F161-R163 HydrophobicContact CB-CG 4.29Å; F161-R163 PolarHBondContact O-N 3.07Å; R163-Y170 PolarHBondContact NH1-OH 3.38Å; R163-Y170 PolarHBondContact NH2-OH 3.36Å
164S85.4Confident86.9Confident52 Ų5266.9 Ų66.936%0.36435%0.346SS..  trans-66.7154.7171.235.90000112.3E154 Q166E154-S164 WeakPolarHBondContact OE1-CB 3.41Å; S164-Q166 PolarHBondContact O-N 2.88Å; S164-Q166 VanDerWaalsContact O-N 3.15Å
165F91.3Very high86.8Confident7 Ų764.1 Ų64.13%0.03133%0.334CS..  trans-88.182.1-177.7-170.5-100000111.5V135 L139 F153 E154 F157 Y167 Y170 M175 V178V135-F165 HydrophobicContact CG1-CE2 3.68Å; V135-F165 HydrophobicContact CG1-CZ 3.92Å; L139-F165 HydrophobicContact CD2-CE2 4.12Å; L139-F165 HydrophobicContact CD2-CZ 4.36Å; F153-F165 HydrophobicContact CE1-CB 3.77Å; F153-F165 AromaticContact CE1-CD1 3.67Å; F153-F165 HydrophobicContact CE1-CD1 3.67Å; F153-F165 HydrophobicContact CE1-CD2 4.21Å; F153-F165 HydrophobicContact CE1-CE1 4.29Å; F153-F165 AromaticContact CE1-CG 3.61Å; F153-F165 HydrophobicContact CE1-CG 3.61Å; F153-F165 HydrophobicContact CZ-CB 4.44Å; F153-F165 HydrophobicContact CZ-CD1 4.16Å; F153-F165 HydrophobicContact CZ-CD2 4.11Å; F153-F165 HydrophobicContact CZ-CE1 4.44Å; F153-F165 HydrophobicContact CZ-CE2 4.4Å; F153-F165 AromaticContact CZ-CG 3.98Å; F153-F165 HydrophobicContact CZ-CG 3.98Å; E154-F165 PolarHBondContact OE1-N 2.94Å; F157-F165 HydrophobicContact CD1-CB 3.95Å; F157-F165 HydrophobicContact CD1-CD2 4.07Å; F157-F165 AromaticContact CD2-CD2 3.75Å; F157-F165 HydrophobicContact CD2-CD2 3.75Å; F157-F165 HydrophobicContact CD2-CE2 4.4Å; F157-F165 HydrophobicContact CE1-CB 4.38Å; F157-F165 AromaticContact CE1-CD2 3.87Å; F157-F165 HydrophobicContact CE1-CD2 3.87Å; F157-F165 AromaticContact CE2-CD2 3.54Å; F157-F165 HydrophobicContact CE2-CD2 3.54Å; F157-F165 AromaticContact CE2-CE2 3.92Å; F157-F165 HydrophobicContact CE2-CE2 3.92Å; F157-F165 HydrophobicContact CG-CB 4.1Å; F157-F165 HydrophobicContact CG-CD2 4.05Å; F157-F165 HydrophobicContact CG-CG 4.49Å; F157-F165 AromaticContact CZ-CD2 3.62Å; F157-F165 HydrophobicContact CZ-CD2 3.62Å; F157-F165 HydrophobicContact CZ-CE2 4.18Å; F165-Y167 VanDerWaalsContact C-N 3.28Å; F165-Y167 PolarHBondContact O-N 3.49Å; F165-Y170 HydrophobicContact CE2-CE2 4.25Å; F165-Y170 HydrophobicContact CZ-CE2 4.42Å; F165-M175 HydrophobicContact CD1-CE 3.85Å; F165-M175 HydrophobicContact CD1-SD 4.06Å; F165-M175 HydrophobicContact CE1-CE 4.38Å; F165-M175 HydrophobicContact CE1-SD 4Å; F165-V178 HydrophobicContact CE1-CG1 3.93Å; F165-V178 HydrophobicContact CE1-CG2 4.17Å; F165-V178 HydrophobicContact CZ-CG1 3.88Å
166Q86.7Confident86.5Confident98 Ų9862.3 Ų62.346%0.45833%0.326SS..  trans-7574.1-178.1-60.8-172.8-1.400112S164 M168 Q169S164-Q166 PolarHBondContact O-N 2.88Å; S164-Q166 VanDerWaalsContact O-N 3.15Å; Q166-M168 PolarHBondContact O-N 2.94Å; Q166-Q169 HydrophobicContact CB-CB 4.07Å; Q166-Q169 WeakPolarHBondContact O-CB 3.47Å; Q166-Q169 PolarHBondContact O-N 3.45Å
167Y87.4Confident86.2Confident39 Ų3963.9 Ų63.915%0.15333%0.329CS..G310 helixtrans-54.9-35.8-178.957.6-97.1000113.1F165 Q169 Y170 G171 F172 L173 M175 G736F165-Y167 VanDerWaalsContact C-N 3.28Å; F165-Y167 PolarHBondContact O-N 3.49Å; Y167-Q169 PolarHBondContact O-N 2.89Å; Y167-Y170 PolarHBondContact O-N 3.19Å; Y167-G171 PolarHBondContact O-N 3.47Å; Y167-F172 HydrophobicContact CD2-CB 4.33Å; Y167-F172 WeakPolarHBondContact CD2-O 3.45Å; Y167-F172 PolarHBondContact O-N 3.15Å; Y167-L173 WeakPolarHBondContact CE2-O 2.97Å; Y167-M175 HydrophobicContact CD1-CE 4.19Å; Y167-G736 PolarHBondContact OH-O 2.78Å
168M80.3Confident86Confident119 Ų11963.9 Ų63.959%0.58633%0.329SS*.G310 helixtrans-61.5-25.5173.6-63.5-150.8129.700114.2Q166 Y170 G171 F172 L173Q166-M168 PolarHBondContact O-N 2.94Å; M168-Y170 VanDerWaalsContact C-N 3.25Å; M168-Y170 PolarHBondContact O-N 2.94Å; M168-G171 PolarHBondContact O-N 3.42Å; M168-F172 WeakPolarHBondContact CA-O 3.32Å; M168-L173 HydrophobicContact CE-CD2 4.04Å
169Q79.7Confident86Confident76 Ų7662.8 Ų62.836%0.35532%0.318SS..G310 helixtrans-66.9-30.1175.1-168.3-177.91.300111.8Q166 Y167Q166-Q169 HydrophobicContact CB-CB 4.07Å; Q166-Q169 WeakPolarHBondContact O-CB 3.47Å; Q166-Q169 PolarHBondContact O-N 3.45Å; Y167-Q169 PolarHBondContact O-N 2.89Å
170Y81.7Confident85.8Confident44 Ų4458 Ų5817%0.17330%0.302CS..G310 helixtrans-92.22.9177.7-44.3-58.6000113P132 V135 R163 F165 Y167 M168P132-Y170 HydrophobicContact CG-CD1 4.35Å; V135-Y170 HydrophobicContact CG1-CD2 4.37Å; V135-Y170 HydrophobicContact CG1-CE2 4.05Å; V135-Y170 HydrophobicContact CG2-CD1 4.02Å; V135-Y170 HydrophobicContact CG2-CD2 4.22Å; V135-Y170 HydrophobicContact CG2-CE1 3.66Å; V135-Y170 HydrophobicContact CG2-CE2 3.87Å; V135-Y170 HydrophobicContact CG2-CG 4.28Å; R163-Y170 PolarHBondContact NH1-OH 3.38Å; R163-Y170 PolarHBondContact NH2-OH 3.36Å; F165-Y170 HydrophobicContact CE2-CE2 4.25Å; F165-Y170 HydrophobicContact CZ-CE2 4.42Å; Y167-Y170 PolarHBondContact O-N 3.19Å; M168-Y170 VanDerWaalsContact C-N 3.25Å; M168-Y170 PolarHBondContact O-N 2.94Å
171G78.2Confident85.7Confident22 Ų2254.9 Ų54.923%0.22730%0.296CS..THydrogen-bonded Turntrans95.46.7174.300000116Y123 Y167 M168Y123-G171 VanDerWaalsContact CE2-O 3.29Å; Y123-G171 WeakPolarHBondContact CE2-O 3.23Å; Y167-G171 PolarHBondContact O-N 3.47Å; M168-G171 PolarHBondContact O-N 3.42Å
172F83.2Confident85.6Confident4 Ų452.4 Ų52.42%0.01829%0.286CS..  trans-87148.2177.8-59.7-89.6000111.5P129 L131 Y167 M168 E177 V178 A181P129-F172 HydrophobicContact CB-CD1 4.34Å; P129-F172 HydrophobicContact CB-CE1 4.03Å; P129-F172 HydrophobicContact CB-CE2 4.2Å; P129-F172 HydrophobicContact CB-CZ 3.93Å; P129-F172 HydrophobicContact CG-CD1 3.59Å; P129-F172 HydrophobicContact CG-CD2 4.5Å; P129-F172 HydrophobicContact CG-CE1 3.56Å; P129-F172 HydrophobicContact CG-CE2 4.45Å; P129-F172 HydrophobicContact CG-CG 4.08Å; P129-F172 HydrophobicContact CG-CZ 4Å; P129-F172 WeakPolarHBondContact O-CE1 3.18Å; P129-F172 VanDerWaalsContact O-CZ 3.3Å; P129-F172 WeakPolarHBondContact O-CZ 3.21Å; L131-F172 HydrophobicContact CB-CE2 4.29Å; L131-F172 HydrophobicContact CB-CZ 3.76Å; L131-F172 HydrophobicContact CD1-CD2 4.45Å; L131-F172 HydrophobicContact CD1-CE2 3.56Å; L131-F172 HydrophobicContact CD1-CZ 3.83Å; L131-F172 HydrophobicContact CG-CZ 4.38Å; Y167-F172 HydrophobicContact CD2-CB 4.33Å; Y167-F172 WeakPolarHBondContact CD2-O 3.45Å; Y167-F172 PolarHBondContact O-N 3.15Å; M168-F172 WeakPolarHBondContact CA-O 3.32Å; F172-E177 WeakPolarHBondContact CA-OE2 3.49Å; F172-E177 HydrophobicContact CB-CB 4.34Å; F172-E177 HydrophobicContact CD1-CB 3.69Å; F172-V178 HydrophobicContact CB-CG2 3.68Å; F172-V178 HydrophobicContact CD1-CG2 3.84Å; F172-V178 HydrophobicContact CD2-CG2 3.79Å; F172-V178 HydrophobicContact CE1-CG2 4.46Å; F172-V178 HydrophobicContact CE2-CG2 4.45Å; F172-V178 HydrophobicContact CG-CG2 3.46Å; F172-V178 VanDerWaalsContact CG-CG2 3.46Å; F172-A181 HydrophobicContact CE1-CB 3.64Å; F172-A181 HydrophobicContact CZ-CB 4.03Å
173L78.2Confident85.7Confident100 Ų10051.6 Ų51.652%0.52427%0.268SS..SBendtrans-94-19.9178-60.2177.6000113.4Y167 M168 E177Y167-L173 WeakPolarHBondContact CE2-O 2.97Å; M168-L173 HydrophobicContact CE-CD2 4.04Å; L173-E177 PolarHBondContact N-OE2 2.76Å
174S85.6Confident85.6Confident35 Ų3551.9 Ų51.925%0.24528%0.276CS..SBendtrans-152.9168.717671.70000112.1F176 E177S174-F176 VanDerWaalsContact C-N 3.26Å; S174-F176 PolarHBondContact O-N 2.91Å; S174-F176 PolarHBondContact OG-N 3.42Å; S174-E177 PolarHBondContact O-N 3.32Å
175M89.4Confident85.8Confident43 Ų4350 Ų5021%0.21226%0.263CS..Hα-helixtrans-62.2-33.2173-163.964.268.600112.5L150 F153 F165 Y167 E177 V178 L179L150-M175 HydrophobicContact CD1-CG 3.85Å; F153-M175 HydrophobicContact CD1-CE 3.56Å; F153-M175 HydrophobicContact CD1-SD 4.05Å; F153-M175 HydrophobicContact CE1-CE 3.59Å; F153-M175 HydrophobicContact CE1-SD 3.82Å; F153-M175 HydrophobicContact CZ-SD 4.46Å; F165-M175 HydrophobicContact CD1-CE 3.85Å; F165-M175 HydrophobicContact CD1-SD 4.06Å; F165-M175 HydrophobicContact CE1-CE 4.38Å; F165-M175 HydrophobicContact CE1-SD 4Å; Y167-M175 HydrophobicContact CD1-CE 4.19Å; M175-E177 PolarHBondContact O-N 3.2Å; M175-V178 WeakPolarHBondContact O-CB 3.28Å; M175-V178 PolarHBondContact O-N 2.75Å; M175-V178 VanDerWaalsContact O-N 3.13Å; M175-L179 HydrophobicContact CG-CD1 4.41Å; M175-L179 HydrophobicContact CG-CG 4.45Å; M175-L179 WeakPolarHBondContact O-CG 3.42Å; M175-L179 PolarHBondContact O-N 3.33Å
176F83.3Confident85.8Confident95 Ų9550 Ų5042%0.41726%0.263SS..Hα-helixtrans-60.4-41.7177.1174.3-101000112.1S174 V178 L179 N180 E742S174-F176 VanDerWaalsContact C-N 3.26Å; S174-F176 PolarHBondContact O-N 2.91Å; S174-F176 PolarHBondContact OG-N 3.42Å; F176-V178 VanDerWaalsContact C-N 3.29Å; F176-V178 PolarHBondContact O-N 2.65Å; F176-L179 PolarHBondContact O-N 3.47Å; F176-N180 WeakPolarHBondContact O-CB 3.47Å; F176-N180 PolarHBondContact O-N 2.95Å; F176-E742 WeakPolarHBondContact CD2-OE1 3.43Å; F176-E742 WeakPolarHBondContact CE2-OE1 3.39Å
177E85.4Confident85.9Confident58 Ų5847.6 Ų47.627%0.27126%0.257SS..Hα-helixtrans-63.9-35.5175.6-60.9-172.3160.900112.3F172 L173 S174 M175 A181F172-E177 WeakPolarHBondContact CA-OE2 3.49Å; F172-E177 HydrophobicContact CB-CB 4.34Å; F172-E177 HydrophobicContact CD1-CB 3.69Å; L173-E177 PolarHBondContact N-OE2 2.76Å; S174-E177 PolarHBondContact O-N 3.32Å; M175-E177 PolarHBondContact O-N 3.2Å; E177-A181 WeakPolarHBondContact O-CB 2.83Å; E177-A181 PolarHBondContact O-N 3.16Å
178V89.6Confident86.1Confident1 Ų148.3 Ų48.31%0.00627%0.265CS..Hα-helixtrans-66.4-47.2176.1177.80000111L131 L139 F165 F172 M175 F176 A181 A182L131-V178 HydrophobicContact CD1-CG1 4.1Å; L131-V178 HydrophobicContact CD2-CG1 4.04Å; L139-V178 HydrophobicContact CD1-CG1 4.27Å; F165-V178 HydrophobicContact CE1-CG1 3.93Å; F165-V178 HydrophobicContact CE1-CG2 4.17Å; F165-V178 HydrophobicContact CZ-CG1 3.88Å; F172-V178 HydrophobicContact CB-CG2 3.68Å; F172-V178 HydrophobicContact CD1-CG2 3.84Å; F172-V178 HydrophobicContact CD2-CG2 3.79Å; F172-V178 HydrophobicContact CE1-CG2 4.46Å; F172-V178 HydrophobicContact CE2-CG2 4.45Å; F172-V178 HydrophobicContact CG-CG2 3.46Å; F172-V178 VanDerWaalsContact CG-CG2 3.46Å; M175-V178 WeakPolarHBondContact O-CB 3.28Å; M175-V178 PolarHBondContact O-N 2.75Å; M175-V178 VanDerWaalsContact O-N 3.13Å; F176-V178 VanDerWaalsContact C-N 3.29Å; F176-V178 PolarHBondContact O-N 2.65Å; V178-A181 CarbonylContact O-C 3.29Å; V178-A181 PolarHBondContact O-N 3Å; V178-A182 VanDerWaalsContact O-CB 3.31Å; V178-A182 WeakPolarHBondContact O-CB 3.18Å; V178-A182 PolarHBondContact O-N 3.01Å
179L91.1Very high86.5Confident14 Ų1447.8 Ų47.87%0.07326%0.262CS..Hα-helixtrans-62.7-42.6178.7-68.8175.7000111.3L150 M175 F176 A181 A182 S183 I186 V188 L197L150-L179 HydrophobicContact CD1-CD1 4.19Å; M175-L179 HydrophobicContact CG-CD1 4.41Å; M175-L179 HydrophobicContact CG-CG 4.45Å; M175-L179 WeakPolarHBondContact O-CG 3.42Å; M175-L179 PolarHBondContact O-N 3.33Å; F176-L179 PolarHBondContact O-N 3.47Å; L179-A181 PolarHBondContact O-N 3.24Å; L179-A182 CarbonylContact O-C 3.59Å; L179-A182 VanDerWaalsContact O-C 3.29Å; L179-A182 WeakPolarHBondContact O-CA 3.42Å; L179-A182 PolarHBondContact O-N 3Å; L179-S183 PolarHBondContact O-N 3.3Å; L179-I186 HydrophobicContact CD2-CD1 4.17Å; L179-I186 HydrophobicContact CD2-CG2 4.35Å; L179-V188 HydrophobicContact CD1-CG2 4.44Å; L179-L197 HydrophobicContact CD1-CD2 3.96Å; L179-L197 HydrophobicContact CD2-CD1 4.25Å; L179-L197 HydrophobicContact CD2-CD2 3.68Å
180N85.6Confident87Confident93 Ų9348.5 Ų48.550%0.49727%0.265SS..Hα-helixtrans-61.8-44.1175.1-167.41.2000111.5F176 A182 S183F176-N180 WeakPolarHBondContact O-CB 3.47Å; F176-N180 PolarHBondContact O-N 2.95Å; N180-A182 PolarHBondContact O-N 2.92Å; N180-S183 VanDerWaalsContact O-CB 3.29Å; N180-S183 WeakPolarHBondContact O-CB 3.32Å; N180-S183 PolarHBondContact O-N 3.46Å; N180-S183 PolarHBondContact O-OG 3.32Å
181A87.9Confident87.1Confident30 Ų3049 Ų4925%0.24827%0.273CS..Hα-helixtrans-68.8-12.4173.600000114.5L131 K136 F172 E177 V178 L179L131-A181 HydrophobicContact CB-CB 4.12Å; K136-A181 WeakPolarHBondContact CE-O 3.4Å; K136-A181 PolarHBondContact NZ-O 2.99Å; F172-A181 HydrophobicContact CE1-CB 3.64Å; F172-A181 HydrophobicContact CZ-CB 4.03Å; E177-A181 WeakPolarHBondContact O-CB 2.83Å; E177-A181 PolarHBondContact O-N 3.16Å; V178-A181 CarbonylContact O-C 3.29Å; V178-A181 PolarHBondContact O-N 3Å; L179-A181 PolarHBondContact O-N 3.24Å
182A90.3Very high87.3Confident1 Ų160 Ų601%0.00831%0.307CS..THydrogen-bonded Turntrans-109.310.1175.500000113.6L131 L139 V178 L179 N180 D184 V185 I186L131-A182 HydrophobicContact CD2-CB 3.81Å; L139-A182 HydrophobicContact CD1-CB 4.45Å; V178-A182 VanDerWaalsContact O-CB 3.31Å; V178-A182 WeakPolarHBondContact O-CB 3.18Å; V178-A182 PolarHBondContact O-N 3.01Å; L179-A182 CarbonylContact O-C 3.59Å; L179-A182 VanDerWaalsContact O-C 3.29Å; L179-A182 WeakPolarHBondContact O-CA 3.42Å; L179-A182 PolarHBondContact O-N 3Å; N180-A182 PolarHBondContact O-N 2.92Å; A182-D184 WeakPolarHBondContact CA-OD1 3.27Å; A182-D184 PolarHBondContact O-N 2.67Å; A182-D184 VanDerWaalsContact O-N 3.11Å; A182-V185 CarbonylContact O-C 3.6Å; A182-V185 WeakPolarHBondContact O-CA 3.38Å; A182-V185 PolarHBondContact O-N 3.48Å; A182-I186 HydrophobicContact CB-CD1 3.73Å; A182-I186 HydrophobicContact CB-CG1 4.02Å; A182-I186 PolarHBondContact O-N 2.87Å
183S89.3Confident86.8Confident59 Ų5963 Ų6341%0.41333%0.333SS..THydrogen-bonded Turntrans-66.7-9.3-176.759.60000114.8L179 N180 V185 K200L179-S183 PolarHBondContact O-N 3.3Å; N180-S183 VanDerWaalsContact O-CB 3.29Å; N180-S183 WeakPolarHBondContact O-CB 3.32Å; N180-S183 PolarHBondContact O-N 3.46Å; N180-S183 PolarHBondContact O-OG 3.32Å; S183-V185 VanDerWaalsContact C-N 3.3Å; S183-K200 PolarHBondContact O-NZ 2.64Å
184D88.2Confident87.1Confident99 Ų9959.8 Ų59.853%0.52932%0.324SS..THydrogen-bonded Turntrans-74.4-19166.459.9-30.7000113.2K136 A182K136-D184 IonicContact NZ-OD1 3.29Å; K136-D184 PolarHBondContact NZ-OD1 3.02Å; K136-D184 IonicContact NZ-OD2 2.69Å; K136-D184 PolarHBondContact NZ-OD2 3.18Å; A182-D184 WeakPolarHBondContact CA-OD1 3.27Å; A182-D184 PolarHBondContact O-N 2.67Å; A182-D184 VanDerWaalsContact O-N 3.11Å
185V88.7Confident87.3Confident12 Ų1259.1 Ų59.17%0.07332%0.319CS..THydrogen-bonded Turntrans-124-36.1-170.4169.30000112.8K140 A182 S183 L199 K200K140-V185 HydrophobicContact CD-CG1 4.12Å; K140-V185 HydrophobicContact CG-CG1 3.4Å; A182-V185 CarbonylContact O-C 3.6Å; A182-V185 WeakPolarHBondContact O-CA 3.38Å; A182-V185 PolarHBondContact O-N 3.48Å; S183-V185 VanDerWaalsContact C-N 3.3Å; V185-L199 HydrophobicContact CG1-CD1 4.06Å; V185-K200 WeakPolarHBondContact O-CB 2.94Å; V185-K200 PolarHBondContact O-N 3.05Å
186I91.3Very high87.5Confident9 Ų958.8 Ų58.85%0.04632%0.318CS..EExtended strand (participates in β ladder)trans-109.3140.6-174.2-51.9-178.2000108.9L139 L143 L179 A182 L197L139-I186 HydrophobicContact CB-CD1 4.18Å; L139-I186 HydrophobicContact CD1-CD1 4.07Å; L143-I186 HydrophobicContact CD1-CB 4.44Å; L143-I186 HydrophobicContact CD1-CD1 4.01Å; L143-I186 HydrophobicContact CD1-CG1 3.9Å; L143-I186 HydrophobicContact CD1-CG2 3.89Å; L179-I186 HydrophobicContact CD2-CD1 4.17Å; L179-I186 HydrophobicContact CD2-CG2 4.35Å; A182-I186 HydrophobicContact CB-CD1 3.73Å; A182-I186 HydrophobicContact CB-CG1 4.02Å; A182-I186 PolarHBondContact O-N 2.87Å; I186-L197 HydrophobicContact CG2-CB 4.44Å; I186-L197 HydrophobicContact CG2-CD2 4.38Å
187S90.7Very high88Confident47 Ų4754.3 Ų54.333%0.32930%0.298SS..EExtended strand (participates in β ladder)trans-115.2140.816443.20000108.9M198S187-M198 PolarHBondContact N-O 3Å; S187-M198 WeakPolarHBondContact O-CB 3.48Å; S187-M198 PolarHBondContact O-N 3.13Å; S187-M198 WeakPolarHBondContact OG-CB 3.44Å; S187-M198 PolarHBondContact OG-O 3.26Å
188V91.2Very high88.4Confident53 Ų5354.3 Ų54.332%0.32130%0.299SS..EExtended strand (participates in β ladder)trans-108.1130.4177.4-172.10000108.1L179 L196 L197L179-V188 HydrophobicContact CD1-CG2 4.44Å; V188-L196 WeakPolarHBondContact CA-O 3.48Å; V188-L197 HydrophobicContact CG1-CD2 4.41Å; V188-L197 HydrophobicContact CG2-CD2 3.93Å
189E89Confident88.5Confident109 Ų10957.7 Ų57.751%0.50932%0.317SS..EExtended strand (participates in β ladder)trans-120.5127.9178.8-173.9174.6169.900109.4L196E189-L196 PolarHBondContact N-O 2.91Å; E189-L196 WeakPolarHBondContact O-CB 3.43Å; E189-L196 PolarHBondContact O-N 3.26Å
190Q88.8Confident88.3Confident90 Ų9062.3 Ų62.342%0.42134%0.336SS..EExtended strand (participates in β ladder)trans-86.9122.3-175.7-68.2-79.257.100110.5S195 D741Q190-S195 PolarHBondContact OE1-OG 2.78Å; Q190-D741 PolarHBondContact NE2-OD1 2.96Å
191T83.8Confident87.9Confident55 Ų5567.2 Ų67.234%0.33735%0.353SS..EExtended strand (participates in β ladder)trans-122168.6-176.580.40000111.9A193 G194 L196T191-A193 PolarHBondContact O-N 3.29Å; T191-A193 VanDerWaalsContact O-N 3.08Å; T191-A193 PolarHBondContact OG1-N 2.76Å; T191-A193 VanDerWaalsContact OG1-N 3.14Å; T191-G194 WeakPolarHBondContact CB-O 3.47Å; T191-G194 PolarHBondContact N-O 2.69Å; T191-G194 PolarHBondContact O-N 2.75Å; T191-G194 PolarHBondContact OG1-N 2.97Å; T191-G194 PolarHBondContact OG1-O 2.81Å; T191-L196 HydrophobicContact CG2-CB 3.82Å; T191-L196 HydrophobicContact CG2-CD2 4.3Å
192R82.2Confident86.5Confident253 Ų25370.8 Ų70.896%0.95538%0.376SS*.THydrogen-bonded Turntrans-59-18.2172.4-172.9176.7175.7-156-2.5113.5
193A73.8Confident84.3Confident67 Ų6777.3 Ų77.355%0.55442%0.415SS*.THydrogen-bonded Turntrans-98.95.4175.800000113.6L149 T191L149-A193 HydrophobicContact CD1-CB 3.91Å; L149-A193 HydrophobicContact CD2-CB 4.18Å; T191-A193 PolarHBondContact O-N 3.29Å; T191-A193 VanDerWaalsContact O-N 3.08Å; T191-A193 PolarHBondContact OG1-N 2.76Å; T191-A193 VanDerWaalsContact OG1-N 3.14Å
194G84.3Confident81.9Confident32 Ų3279.9 Ų79.933%0.3343%0.429SS..EExtended strand (participates in β ladder)trans103-167.1-173.900000113.3T191 L196T191-G194 WeakPolarHBondContact CB-O 3.47Å; T191-G194 PolarHBondContact N-O 2.69Å; T191-G194 PolarHBondContact O-N 2.75Å; T191-G194 PolarHBondContact OG1-N 2.97Å; T191-G194 PolarHBondContact OG1-O 2.81Å; G194-L196 PolarHBondContact O-N 3.06Å
195S90.5Very high79.3Confident21 Ų2182.3 Ų82.315%0.14744%0.437CS..EExtended strand (participates in β ladder)trans-73.7121.8-173.6-43.10000112.3L150 Q190L150-S195 PolarHBondContact N-O 2.91Å; Q190-S195 PolarHBondContact OE1-OG 2.78Å
196L92.9Very high76.6Confident36 Ų3690.5 Ų90.519%0.18848%0.475CS..EExtended strand (participates in β ladder)trans-99.3122.5178.6-171.870.8000110.4P147 L149 V188 E189 T191 G194 M198P147-L196 HydrophobicContact CB-CD1 3.82Å; P147-L196 HydrophobicContact CB-CD2 4.01Å; P147-L196 HydrophobicContact CB-CG 3.93Å; L149-L196 HydrophobicContact CD2-CB 4.28Å; L149-L196 HydrophobicContact CD2-CD1 3.92Å; L149-L196 HydrophobicContact CG-CD1 4.01Å; V188-L196 WeakPolarHBondContact CA-O 3.48Å; E189-L196 PolarHBondContact N-O 2.91Å; E189-L196 WeakPolarHBondContact O-CB 3.43Å; E189-L196 PolarHBondContact O-N 3.26Å; T191-L196 HydrophobicContact CG2-CB 3.82Å; T191-L196 HydrophobicContact CG2-CD2 4.3Å; G194-L196 PolarHBondContact O-N 3.06Å; L196-M198 HydrophobicContact CD2-CG 4.4Å; L196-M198 HydrophobicContact CD2-SD 4.27Å; L196-M198 HydrophobicContact CG-CG 4.41Å
197L93.9Very high73.7Confident1 Ų197.1 Ų97.11%0.00550%0.503CS..EExtended strand (participates in β ladder)trans-86.1128.3176.7-54.7-179.8000110L143 P147 V148 L150 F153 L179 I186 V188L143-L197 HydrophobicContact CD1-CB 4.23Å; L143-L197 HydrophobicContact CD2-CB 3.82Å; P147-L197 VanDerWaalsContact CA-O 3.31Å; P147-L197 WeakPolarHBondContact CA-O 3.31Å; V148-L197 PolarHBondContact N-O 3.04Å; V148-L197 VanDerWaalsContact N-O 3.1Å; V148-L197 VanDerWaalsContact O-CB 3.31Å; V148-L197 WeakPolarHBondContact O-CB 3.11Å; V148-L197 PolarHBondContact O-N 2.86Å; L150-L197 HydrophobicContact CD1-CD1 4.25Å; F153-L197 HydrophobicContact CB-CD1 4.45Å; F153-L197 HydrophobicContact CD2-CD1 3.67Å; F153-L197 HydrophobicContact CE2-CD1 4.35Å; F153-L197 HydrophobicContact CG-CD1 4.29Å; L179-L197 HydrophobicContact CD1-CD2 3.96Å; L179-L197 HydrophobicContact CD2-CD1 4.25Å; L179-L197 HydrophobicContact CD2-CD2 3.68Å; I186-L197 HydrophobicContact CG2-CB 4.44Å; I186-L197 HydrophobicContact CG2-CD2 4.38Å; V188-L197 HydrophobicContact CG1-CD2 4.41Å; V188-L197 HydrophobicContact CG2-CD2 3.93Å
198M92.4Very high70.9Confident59 Ų59100.9 Ų100.929%0.29153%0.526SS..EExtended strand (participates in β ladder)trans-130.4143-174-70.1-84.5-85.600110.3P147 S187 L196 K200P147-M198 HydrophobicContact CB-SD 3.64Å; P147-M198 HydrophobicContact CG-SD 3.43Å; P147-M198 WeakPolarHBondContact CG-SD 3.48Å; S187-M198 PolarHBondContact N-O 3Å; S187-M198 WeakPolarHBondContact O-CB 3.48Å; S187-M198 PolarHBondContact O-N 3.13Å; S187-M198 WeakPolarHBondContact OG-CB 3.44Å; S187-M198 PolarHBondContact OG-O 3.26Å; L196-M198 HydrophobicContact CD2-CG 4.4Å; L196-M198 HydrophobicContact CD2-SD 4.27Å; L196-M198 HydrophobicContact CG-CG 4.41Å; M198-K200 PolarHBondContact O-N 3.41Å
199L92.1Very high68.2Low72 Ų72109.5 Ų109.538%0.37755%0.553SS.*EExtended strand (participates in β ladder)trans-74.3121.5171.8-173.767.7000110.2K140 L143 A144 V185 K201K140-L199 HydrophobicContact CB-CD1 4.47Å; K140-L199 HydrophobicContact CG-CD1 4.07Å; L143-L199 HydrophobicContact CB-CB 4.11Å; A144-L199 HydrophobicContact CB-CD2 4.42Å; V185-L199 HydrophobicContact CG1-CD1 4.06Å; L199-K201 PolarHBondContact O-N 3.04Å
200K88.4Confident65.4Low110 Ų110107.6 Ų107.648%0.47856%0.563SS.*  trans-71.3112.9-175-167.6168.6-178.3164.50110.6S183 V185 M198 S202S183-K200 PolarHBondContact O-NZ 2.64Å; V185-K200 WeakPolarHBondContact O-CB 2.94Å; V185-K200 PolarHBondContact O-N 3.05Å; M198-K200 PolarHBondContact O-N 3.41Å; K200-S202 PolarHBondContact O-N 2.69Å
201K75.8Confident62.4Low197 Ų197109.3 Ų109.386%0.85758%0.583SS**  trans-63.9118.7177.4-72-178.7178.51760110.6L199 V203L199-K201 PolarHBondContact O-N 3.04Å; K201-V203 PolarHBondContact O-N 2.88Å
202S58.4Low60Low104 Ų104112.1 Ų112.173%0.72760%0.602SS**  trans-68.9121.7170.952.90000110.5K200 T204K200-S202 PolarHBondContact O-N 2.69Å; S202-T204 PolarHBondContact O-N 3.05Å; S202-T204 VanDerWaalsContact O-N 3.12Å
203V43.8Very low57.4Low138 Ų138105.3 Ų105.384%0.83660%0.6SS**  trans-77.995174.6-178.50000109.3K201K201-V203 PolarHBondContact O-N 2.88Å
204T40.3Very low55.4Low114 Ų114105.3 Ų105.370%0.69961%0.607SS**  trans-78.4115.3162.639.20000109.4S202 E206S202-T204 PolarHBondContact O-N 3.05Å; S202-T204 VanDerWaalsContact O-N 3.12Å; T204-E206 VanDerWaalsContact C-N 3.33Å; T204-E206 PolarHBondContact O-N 3.46Å
205E32.2Very low53Low149 Ų149113.2 Ų113.270%0.69663%0.632SS**  trans-6982.8173.4-72.9-159.2173.600111.9K207E205-K207 PolarHBondContact O-N 2.94Å; E205-K207 IonicContact OE2-NZ 3.28Å; E205-K207 PolarHBondContact OE2-NZ 2.92Å
206E33.3Very low50.4Low185 Ų185119.9 Ų119.986%0.86466%0.664SS**  trans-71.282.8160.4-77.9-96.9120.400109T204T204-E206 VanDerWaalsContact C-N 3.33Å; T204-E206 PolarHBondContact O-N 3.46Å
207K31Very low47.3Very low148 Ų148127 Ų12764%0.64369%0.694SS**  trans-75.2116.6-174.4-159.2170.2-153128.80110.4E205E205-K207 PolarHBondContact O-N 2.94Å; E205-K207 IonicContact OE2-NZ 3.28Å; E205-K207 PolarHBondContact OE2-NZ 2.92Å
208P31.2Very low44.4Very low125 Ų125132.3 Ų132.381%0.81273%0.727SS**  trans-67.2140-168.426.7-35.3000112.4
209R33.7Very low41.5Very low235 Ų235137.5 Ų137.589%0.88775%0.75SS**  trans-140.6131173.6-148.3173.5-67.3-151.43.2108.4
210G30.2Very low38.8Very low69 Ų69139.7 Ų139.771%0.71177%0.769SS**  trans-74.8-172.9-172.700000114.3
211C27.4Very low36Very low126 Ų126144.4 Ų144.485%0.85179%0.79SS**  cis-163.2-166.712.9-103.70000108.2
212P33.1Very low33.7Very low114 Ų114146 Ų14674%0.7479%0.79SS**  -133.8175.5-64.740.6-24.4000114.6
213A27.7Very low32.3Very low109 Ų109148.8 Ų148.890%0.90179%0.794SS**  trans71.9145153.800000121.3
214G30.9Very low31.5Very low68 Ų68150 Ų15070%0.70179%0.787SS**  trans127.157.5175.100000114.1
215K35.1Very low30.8Very low197 Ų197153 Ų15386%0.85779%0.794SS**  79.3144.988.8-79.7-169.2173.8-178.20115.2
216I34.3Very low30.7Very low162 Ų162149.6 Ų149.683%0.83180%0.799SS**  trans82.8104.5171.9-58.6158.2000113.3
217F28.6Very low30.4Very low185 Ų185145.3 Ų145.381%0.81179%0.79SS**  77.2133.686-134.2-130.4000111.7
218T33Very low30.6Very low112 Ų112149 Ų14969%0.68780%0.801SS**  cis-152.4-179.331.6-36.90000112.8
219Q30.5Very low30.6Very low169 Ų169148.3 Ų148.379%0.7980%0.799SS**  trans-69.9164.6-173.6-85.1-178.5-27.900117.8
220P36.4Very low30.6Very low117 Ų117142.8 Ų142.876%0.7679%0.792SS**  trans-82.2160.1177.135.3-37.3000113.6
221F29.4Very low30.8Very low210 Ų210142.3 Ų142.392%0.92179%0.786SS**  trans-139.2159.4173.4-111.2-90.2000114.7
222R27.6Very low31Very low231 Ų231145.1 Ų145.187%0.87279%0.785SS**  trans-131.1125.6-169.2172.5-162.2-164.3-176.18.2109.1
223M28.1Very low31.2Very low162 Ų162145.1 Ų145.180%0.79879%0.785SS**  trans164.8159165-97.9-173.8-16400108.4
224K27.9Very low31.2Very low162 Ų162145.4 Ų145.470%0.70478%0.775SS**  cis-151.7179.70.3-138.2161.6-171.6168.70111.7
225Q25.7Very low31.3Very low177 Ų177147.1 Ų147.183%0.82778%0.782SS**  trans-66157.6177.7-58.7130.3-56.700113.9
226G30.2Very low31.1Very low78 Ų78146.3 Ų146.380%0.80478%0.779SS**  trans-163.6125.9163.200000110.7
227S26.3Very low31Very low96 Ų96144.7 Ų144.767%0.67178%0.779SS**  trans-148.9117.2-164.156.40000114.5
228Y36.2Very low30.9Very low224 Ų224141.7 Ų141.788%0.87878%0.78SS**  trans-150123.6165.2-53.2-74.2000106.1
229S30Very low30.6Very low111 Ų111146.6 Ų146.678%0.77679%0.792SS**  65.2130.265.1-144.80000112.3
230T34.4Very low30.7Very low120 Ų120144 Ų14474%0.73679%0.792SS**  cis-154158.614.5-48.70000108.9F232T230-F232 HydrophobicContact CG2-CD2 4.25Å
231G33.7Very low30.4Very low58 Ų58147.3 Ų147.360%0.59880%0.797SS**  cis140.9144-7.900000114.2
232F32.5Very low30.4Very low186 Ų186143 Ų14382%0.81679%0.79SS**  trans74.5164167.1-55.9-75.8000120.2T230T230-F232 HydrophobicContact CG2-CD2 4.25Å
233P35.7Very low30.3Very low114 Ų114138.2 Ų138.274%0.7479%0.787SS**  cis-119.7143.1-21.919.22.9000112.7
234V29.2Very low30.5Very low115 Ų115135.2 Ų135.270%0.69778%0.782SS**  63.9112.373.7-177.50000116
235A32.5Very low30.5Very low103 Ų103134.2 Ų134.285%0.85178%0.784SS**  trans-137.1149.9148.700000108.5
236K30.8Very low30.9Very low181 Ų181133.7 Ų133.779%0.78778%0.784SS**  trans-124155.1-171.1-80.5-176.9175.5179.70112.7
237P31.5Very low30.9Very low127 Ų127138.1 Ų138.183%0.82578%0.784SS**  trans-73.7146.7165.932.9-34.8000111.2
238C27.8Very low31Very low123 Ų123137.6 Ų137.683%0.83178%0.778SS**  trans-140.3135.3171.2-870000111.5
239F26.5Very low30.9Very low215 Ų215133.3 Ų133.394%0.94378%0.778SS**  trans-83.5144.1160.8-97.9-110.4000109.8
240S32Very low30.8Very low113 Ų113136.4 Ų136.479%0.7978%0.777SS**  trans-157.8117.2157.344.50000112.4
241Q29.6Very low30.5Very low188 Ų188138 Ų13888%0.87978%0.776SS**  trans-85.8153.9148.3-65-177.4-43.400107.5
242P31.2Very low30.4Very low119 Ų119143.8 Ų143.877%0.77379%0.791SS**  -146.5171.292.437-19.8000116
243T25.2Very low30.1Very low131 Ų131141.2 Ų141.280%0.80478%0.784SS**  trans-43.5152.7163.753.20000113.6
244S31.1Very low29.6Very low99 Ų99140.6 Ų140.669%0.69278%0.782SS**  -177.9149.353.951.80000115.2
245N27.8Very low29.8Very low141 Ų141143.5 Ų143.575%0.75479%0.79SS**  trans53.3150.5143.7-62-5000124.3
246M34.8Very low29.7Very low166 Ų166145.1 Ų145.182%0.81878%0.78SS**  trans67.4137.3170.6-46.7-52.6175.700116.3
247E29.1Very low29.5Very low170 Ų170144.7 Ų144.779%0.79478%0.778SS**  cis-176.2162-28.9-127.1-142.7113.100103.9
248P29.3Very low29.3Very low85 Ų85145.4 Ų145.455%0.55278%0.78SS**  trans-94.7145.1-163.935.3-34.5000115.2K250P248-K250 PolarHBondContact O-N 2.98Å
249P35.1Very low29.5Very low135 Ų135144.9 Ų144.988%0.87778%0.778SS**  trans-70.1111.7164.1-13.328.7000111
250K26.8Very low29.5Very low176 Ų176144.9 Ų144.977%0.76578%0.778SS**  trans-92.9168.1162.2-74.8176.2178.61650110.2P248P248-K250 PolarHBondContact O-N 2.98Å
251Q27.9Very low29.4Very low154 Ų154146.6 Ų146.672%0.7278%0.777SS**  trans65.8107.9166.4-64.7170.6-55.700117.3M253Q251-M253 HydrophobicContact CG-CG 4.49Å; Q251-M253 HydrophobicContact CG-SD 4.18Å; Q251-M253 PolarHBondContact NE2-SD 3.45Å
252I31.9Very low29.4Very low178 Ų178145 Ų14591%0.91378%0.775SS**  -115.7115.8116.8-66.8-175.7000108.1
253M27.2Very low29.4Very low133 Ų133145.5 Ų145.566%0.65578%0.775SS**  trans-90.7157.1162.3-74.8164.353.900107.3Q251Q251-M253 HydrophobicContact CG-CG 4.49Å; Q251-M253 HydrophobicContact CG-SD 4.18Å; Q251-M253 PolarHBondContact NE2-SD 3.45Å
254S25.1Very low29.6Very low100 Ų100146 Ų14670%0.69978%0.778SS**  cis-175.4149.4-3.642.60000108.5
255M32.1Very low29.5Very low177 Ų177150.2 Ų150.287%0.87279%0.786SS**  trans-151.9107149.7-124.3172.8-179.900113.8
256E30.8Very low29.7Very low137 Ų137149.6 Ų149.664%0.6479%0.788SS**  trans30.2110.1139.6-53.7-147.198.200120
257K26.9Very low29.8Very low171 Ų171147 Ų14774%0.74379%0.787SS**  64.693.192.6-66.7175.7-168.21530115
258T27.4Very low30.1Very low142 Ų142150.1 Ų150.187%0.87179%0.791SS**  -178.5121.1122.920.20000110.3
259S31.4Very low30.6Very low112 Ų112151.1 Ų151.178%0.78379%0.791SS**  trans149.643.2165.752.10000114.1
260K27.4Very low31.3Very low216 Ų216149.4 Ų149.494%0.93977%0.774SS**  trans-101.964.1166-86.2-163.9173.5-175.20111.9
261L28.3Very low32.4Very low149 Ų149147.1 Ų147.178%0.7877%0.766SS**SBendtrans-145.6152.7162.5-90.1157.9000105.9
262N30.7Very low33.8Very low155 Ų155142.7 Ų142.783%0.82975%0.75SS**SBendtrans74.441.9178.3-49.4-2.7000117.7
263V31.4Very low35.2Very low128 Ų128138.1 Ų138.178%0.77672%0.724SS**  trans-135.553.2163.7-162.10000111.9
264V29.7Very low36.5Very low141 Ų141136.9 Ų136.986%0.85572%0.715SS**SBendtrans-139.732.4176.4-159.90000111.7
265E28.8Very low38Very low188 Ų188132.4 Ų132.488%0.87968%0.684SS**SBendtrans-151.334.2-173-144156-139.900116
266T30.5Very low39.6Very low128 Ų128127.4 Ų127.479%0.78566%0.661SS**  trans-128.911.7-177.749.10000115.3
267S36.9Very low41.3Very low113 Ų113126.5 Ų126.579%0.7966%0.656SS**  trans-101.98.7-172.556.60000115.9
268R37.2Very low42.8Very low235 Ų235119.8 Ų119.889%0.88763%0.628SS**  trans-113.536.5-174.2-70.8-173.4173178.7-1.3115.1
269L38.5Very low44.5Very low106 Ų106114.1 Ų114.156%0.55559%0.592SS**  trans-64.2134.7163.9-70.7171.1000109.8E273L269-E273 VanDerWaalsContact CA-OE2 3.31Å; L269-E273 WeakPolarHBondContact CA-OE2 3.3Å; L269-E273 VanDerWaalsContact CD2-OE2 3.28Å; L269-E273 WeakPolarHBondContact CD2-OE2 3.45Å
270N50.7Low46.1Very low98 Ų98113.4 Ų113.452%0.52458%0.579SS.*  trans-67.7150.5-176.9-69.8-67.7000111.3T272 E273 K274N270-T272 PolarHBondContact O-N 2.94Å; N270-T272 VanDerWaalsContact O-N 3.17Å; N270-E273 HydrophobicContact CB-CG 4.16Å; N270-E273 WeakPolarHBondContact CB-OE1 3.26Å; N270-E273 PolarHBondContact N-OE2 2.76Å; N270-E273 PolarHBondContact ND2-OE1 2.79Å; N270-E273 WeakPolarHBondContact O-CB 3.48Å; N270-E273 PolarHBondContact O-N 3.24Å; N270-K274 PolarHBondContact O-N 3.14Å
271H49Very low47.8Very low129 Ų129106.6 Ų106.660%0.59756%0.556SS**Hα-helixtrans-58.5-33.1179.4-73.4-112.6000112.5L275H271-L275 PolarHBondContact O-N 3.03Å
272T56.8Low49.4Very low61 Ų6199.9 Ų99.937%0.37452%0.521SS..Hα-helixtrans-67.9-35.1173.3-60.10000112.6N270 K274 L275 N276 R652N270-T272 PolarHBondContact O-N 2.94Å; N270-T272 VanDerWaalsContact O-N 3.17Å; T272-K274 PolarHBondContact O-N 2.86Å; T272-L275 PolarHBondContact O-N 2.79Å; T272-N276 VanDerWaalsContact O-CB 3.32Å; T272-N276 WeakPolarHBondContact O-CB 3.49Å; T272-N276 PolarHBondContact O-N 2.84Å; T272-N276 PolarHBondContact O-OD1 3.41Å; T272-R652 PolarHBondContact OG1-NH2 2.8Å
273E61.8Low51.1Low81 Ų8196.4 Ų96.438%0.37950%0.498SS..Hα-helixtrans-66.2-38.6179.2-70.2152.9-16000111.6L269 N270 N276 Q277L269-E273 VanDerWaalsContact CA-OE2 3.31Å; L269-E273 WeakPolarHBondContact CA-OE2 3.3Å; L269-E273 VanDerWaalsContact CD2-OE2 3.28Å; L269-E273 WeakPolarHBondContact CD2-OE2 3.45Å; N270-E273 HydrophobicContact CB-CG 4.16Å; N270-E273 WeakPolarHBondContact CB-OE1 3.26Å; N270-E273 PolarHBondContact N-OE2 2.76Å; N270-E273 PolarHBondContact ND2-OE1 2.79Å; N270-E273 WeakPolarHBondContact O-CB 3.48Å; N270-E273 PolarHBondContact O-N 3.24Å; E273-N276 PolarHBondContact O-N 3.01Å; E273-Q277 WeakPolarHBondContact O-CB 3.18Å; E273-Q277 PolarHBondContact O-N 3.22Å
274K55.2Low52.6Low107 Ų10792.7 Ų92.747%0.46548%0.478SS..Hα-helixtrans-68.6-38.8174.5-78.4-156.9170.3-156.70113.5N270 T272 Q277 L278N270-K274 PolarHBondContact O-N 3.14Å; T272-K274 PolarHBondContact O-N 2.86Å; K274-Q277 WeakPolarHBondContact O-CB 3.43Å; K274-Q277 PolarHBondContact O-N 3.26Å; K274-L278 PolarHBondContact O-N 2.89Å
275L57.2Low54Low7 Ų787.7 Ų87.74%0.03745%0.447CS..Hα-helixtrans-67.2-46.6173.5-154.2-171.5000109.7H271 T272 Q277 L278 E279 R652 V659H271-L275 PolarHBondContact O-N 3.03Å; T272-L275 PolarHBondContact O-N 2.79Å; L275-Q277 PolarHBondContact O-N 2.92Å; L275-L278 CarbonylContact O-C 3.5Å; L275-L278 WeakPolarHBondContact O-CA 3.22Å; L275-L278 WeakPolarHBondContact O-CB 3.38Å; L275-L278 PolarHBondContact O-N 2.98Å; L275-E279 HydrophobicContact CD2-CB 4.23Å; L275-E279 WeakPolarHBondContact O-CB 3.34Å; L275-E279 PolarHBondContact O-N 2.91Å; L275-R652 VanDerWaalsContact CD1-NH1 3.28Å; L275-V659 HydrophobicContact CD1-CB 4.31Å; L275-V659 HydrophobicContact CD1-CG1 4.12Å; L275-V659 HydrophobicContact CD1-CG2 3.75Å; L275-V659 HydrophobicContact CG-CG1 4.18Å
276N65.8Low55.3Low72 Ų7279.3 Ų79.339%0.38541%0.409SS..Hα-helixtrans-58.6-34.7175.6-66.512.1000111.6T272 E273 N280T272-N276 VanDerWaalsContact O-CB 3.32Å; T272-N276 WeakPolarHBondContact O-CB 3.49Å; T272-N276 PolarHBondContact O-N 2.84Å; T272-N276 PolarHBondContact O-OD1 3.41Å; E273-N276 PolarHBondContact O-N 3.01Å; N276-N280 WeakPolarHBondContact O-CB 3.45Å; N276-N280 PolarHBondContact O-N 3.48Å; N276-N280 PolarHBondContact O-ND2 2.76Å
277Q66.1Low56.6Low118 Ų11875.3 Ų75.355%0.55139%0.388SS*.Hα-helixtrans-64.7-44.4171.7-173.1178.316.200111.8E273 K274 L275 N280 T281E273-Q277 WeakPolarHBondContact O-CB 3.18Å; E273-Q277 PolarHBondContact O-N 3.22Å; K274-Q277 WeakPolarHBondContact O-CB 3.43Å; K274-Q277 PolarHBondContact O-N 3.26Å; L275-Q277 PolarHBondContact O-N 2.92Å; Q277-N280 PolarHBondContact O-N 2.83Å; Q277-T281 WeakPolarHBondContact O-CB 3.39Å; Q277-T281 PolarHBondContact O-N 3.19Å; Q277-T281 PolarHBondContact O-OG1 2.84Å
278L58.6Low57.3Low30 Ų3076.4 Ų76.416%0.15738%0.381CS..Hα-helixtrans-65.6-43.1174.7179.568.9000112.3K274 L275 N280 T281 F282 W595 F635K274-L278 PolarHBondContact O-N 2.89Å; L275-L278 CarbonylContact O-C 3.5Å; L275-L278 WeakPolarHBondContact O-CA 3.22Å; L275-L278 WeakPolarHBondContact O-CB 3.38Å; L275-L278 PolarHBondContact O-N 2.98Å; L278-N280 VanDerWaalsContact C-N 3.3Å; L278-N280 PolarHBondContact O-N 3.13Å; L278-T281 CarbonylContact O-C 3.56Å; L278-T281 WeakPolarHBondContact O-CA 3.43Å; L278-T281 WeakPolarHBondContact O-CB 3.49Å; L278-T281 PolarHBondContact O-N 3.46Å; L278-T281 VanDerWaalsContact O-N 3.12Å; L278-F282 WeakPolarHBondContact O-CB 3.24Å; L278-F282 PolarHBondContact O-N 2.95Å; L278-W595 HydrophobicContact CD1-CH2 4.31Å; L278-W595 HydrophobicContact CD2-CD2 4.1Å; L278-W595 HydrophobicContact CD2-CE3 3.73Å; L278-W595 HydrophobicContact CD2-CH2 4.22Å; L278-W595 HydrophobicContact CD2-CZ3 3.8Å; L278-F635 HydrophobicContact CD1-CZ 4.49Å; L278-F635 HydrophobicContact CD2-CE1 3.74Å; L278-F635 HydrophobicContact CD2-CE2 4.33Å; L278-F635 HydrophobicContact CD2-CZ 3.55Å
279E62.2Low57.9Low22 Ų2267.9 Ų67.910%0.10335%0.352CS..Hα-helixtrans-62.5-39.5176.3-162.2-170.1106.800110.3L275 F282 K283 Y646 H649L275-E279 HydrophobicContact CD2-CB 4.23Å; L275-E279 WeakPolarHBondContact O-CB 3.34Å; L275-E279 PolarHBondContact O-N 2.91Å; E279-F282 PolarHBondContact O-N 3.3Å; E279-K283 HydrophobicContact CG-CD 4.48Å; E279-K283 VanDerWaalsContact O-CB 3.3Å; E279-K283 WeakPolarHBondContact O-CB 3.47Å; E279-K283 WeakPolarHBondContact O-CD 3.46Å; E279-K283 VanDerWaalsContact O-CG 3.23Å; E279-K283 WeakPolarHBondContact O-CG 3.37Å; E279-K283 PolarHBondContact O-N 2.77Å; E279-K283 WeakPolarHBondContact OE1-CE 3.43Å; E279-K283 IonicContact OE1-NZ 2.77Å; E279-K283 PolarHBondContact OE1-NZ 3.16Å; E279-Y646 HydrophobicContact CG-CD2 4.03Å; E279-Y646 HydrophobicContact CG-CE2 4.19Å; E279-H649 IonicContact OE2-CE1 3.7Å; E279-H649 IonicContact OE2-CG 2.65Å; E279-H649 IonicContact OE2-ND1 3.73Å; E279-H649 PolarHBondContact OE2-ND1 3.3Å
280N66Low58.3Low97 Ų9763 Ų6352%0.51933%0.327SS..Hα-helixtrans-68.4-36.9171.5-72.2-18.7000112.4N276 Q277 L278 S284N276-N280 WeakPolarHBondContact O-CB 3.45Å; N276-N280 PolarHBondContact O-N 3.48Å; N276-N280 PolarHBondContact O-ND2 2.76Å; Q277-N280 PolarHBondContact O-N 2.83Å; L278-N280 VanDerWaalsContact C-N 3.3Å; L278-N280 PolarHBondContact O-N 3.13Å; N280-S284 WeakPolarHBondContact O-CB 3.48Å; N280-S284 PolarHBondContact O-N 2.6Å
281T62.8Low58.3Low73 Ų7359.4 Ų59.445%0.44831%0.31SS..Hα-helixtrans-63.5-44.3171.4-64.40000110.6Q277 L278 S284 V285Q277-T281 WeakPolarHBondContact O-CB 3.39Å; Q277-T281 PolarHBondContact O-N 3.19Å; Q277-T281 PolarHBondContact O-OG1 2.84Å; L278-T281 CarbonylContact O-C 3.56Å; L278-T281 WeakPolarHBondContact O-CA 3.43Å; L278-T281 WeakPolarHBondContact O-CB 3.49Å; L278-T281 PolarHBondContact O-N 3.46Å; L278-T281 VanDerWaalsContact O-N 3.12Å; T281-S284 CarbonylContact O-C 3.54Å; T281-S284 WeakPolarHBondContact O-CB 3.39Å; T281-S284 PolarHBondContact O-N 3.29Å; T281-V285 HydrophobicContact CG2-CG2 4.3Å; T281-V285 WeakPolarHBondContact O-CB 3.36Å; T281-V285 VanDerWaalsContact O-CG2 3.26Å; T281-V285 WeakPolarHBondContact O-CG2 3.49Å; T281-V285 PolarHBondContact O-N 3.41Å
282F61.8Low58.3Low9 Ų953.5 Ų53.54%0.03928%0.284CS..Hα-helixtrans-65.4-45.3179.5-166.8-84.7000111.3L278 E279 S284 V285 I286 V623 F635 C637 Y646L278-F282 WeakPolarHBondContact O-CB 3.24Å; L278-F282 PolarHBondContact O-N 2.95Å; E279-F282 PolarHBondContact O-N 3.3Å; F282-S284 PolarHBondContact O-N 3.31Å; F282-V285 PolarHBondContact O-N 2.86Å; F282-I286 HydrophobicContact CD1-CD1 3.72Å; F282-I286 HydrophobicContact CD1-CG1 4.49Å; F282-I286 HydrophobicContact CE1-CD1 3.34Å; F282-I286 HydrophobicContact CE1-CG1 4.36Å; F282-I286 HydrophobicContact CZ-CD1 4.18Å; F282-I286 WeakPolarHBondContact O-CG1 3.46Å; F282-I286 PolarHBondContact O-N 2.96Å; F282-V623 HydrophobicContact CD2-CB 4.21Å; F282-V623 HydrophobicContact CD2-CG2 3.83Å; F282-V623 HydrophobicContact CE2-CB 3.66Å; F282-V623 HydrophobicContact CE2-CG2 3.29Å; F282-V623 HydrophobicContact CZ-CG2 3.88Å; F282-F635 HydrophobicContact CD2-CB 4.05Å; F282-F635 HydrophobicContact CE2-CB 3.47Å; F282-F635 VanDerWaalsContact CE2-CB 3.47Å; F282-F635 HydrophobicContact CE2-CG 4.4Å; F282-F635 HydrophobicContact CZ-CB 4.33Å; F282-C637 HydrophobicContact CE1-CB 3.65Å; F282-C637 HydrophobicContact CZ-CB 3.78Å; F282-Y646 AromaticContact CD1-CD1 3.55Å; F282-Y646 HydrophobicContact CD1-CD1 3.55Å; F282-Y646 AromaticContact CD1-CE1 3.36Å; F282-Y646 HydrophobicContact CD1-CE1 3.36Å; F282-Y646 AromaticContact CE1-CD1 3.4Å; F282-Y646 HydrophobicContact CE1-CD1 3.4Å; F282-Y646 VanDerWaalsContact CE1-CD1 3.4Å; F282-Y646 AromaticContact CE1-CE1 3.41Å; F282-Y646 HydrophobicContact CE1-CE1 3.41Å; F282-Y646 VanDerWaalsContact CE1-CE1 3.41Å; F282-Y646 HydrophobicContact CZ-CD1 4.4Å
283K66.5Low58.1Low82 Ų8252.6 Ų52.636%0.35729%0.286SS..Hα-helixtrans-56.7-45.6168.5-77.9165.7175.71730112.2E279 I286 A287 Y646E279-K283 HydrophobicContact CG-CD 4.48Å; E279-K283 VanDerWaalsContact O-CB 3.3Å; E279-K283 WeakPolarHBondContact O-CB 3.47Å; E279-K283 WeakPolarHBondContact O-CD 3.46Å; E279-K283 VanDerWaalsContact O-CG 3.23Å; E279-K283 WeakPolarHBondContact O-CG 3.37Å; E279-K283 PolarHBondContact O-N 2.77Å; E279-K283 WeakPolarHBondContact OE1-CE 3.43Å; E279-K283 IonicContact OE1-NZ 2.77Å; E279-K283 PolarHBondContact OE1-NZ 3.16Å; K283-I286 PolarHBondContact O-N 3.16Å; K283-A287 VanDerWaalsContact O-CB 3.24Å; K283-A287 WeakPolarHBondContact O-CB 3.49Å; K283-A287 PolarHBondContact O-N 3.25Å; K283-Y646 VanDerWaalsContact CE-CE2 3.47Å; K283-Y646 HydrophobicContact CG-CE2 4.3Å; K283-Y646 WeakPolarHBondContact CG-OH 3.47Å
284S62.5Low57.9Low49 Ų4952.1 Ų52.134%0.34329%0.289SS..Hα-helixtrans-66.8-39.8179.9-171.90000112N280 T281 F282 A287 Q288N280-S284 WeakPolarHBondContact O-CB 3.48Å; N280-S284 PolarHBondContact O-N 2.6Å; T281-S284 CarbonylContact O-C 3.54Å; T281-S284 WeakPolarHBondContact O-CB 3.39Å; T281-S284 PolarHBondContact O-N 3.29Å; F282-S284 PolarHBondContact O-N 3.31Å; S284-A287 PolarHBondContact O-N 3.1Å; S284-Q288 WeakPolarHBondContact O-CB 3.23Å; S284-Q288 WeakPolarHBondContact O-CG 3.29Å; S284-Q288 PolarHBondContact O-N 3.29Å; S284-Q288 PolarHBondContact OG-NE2 3.18Å
285V58.4Low58.6Low37 Ų3747.4 Ų47.422%0.22427%0.268CS..Hα-helixtrans-64-46.3174.2165.60000110.4T281 F282 A287 Q288 I289 L472T281-V285 HydrophobicContact CG2-CG2 4.3Å; T281-V285 WeakPolarHBondContact O-CB 3.36Å; T281-V285 VanDerWaalsContact O-CG2 3.26Å; T281-V285 WeakPolarHBondContact O-CG2 3.49Å; T281-V285 PolarHBondContact O-N 3.41Å; F282-V285 PolarHBondContact O-N 2.86Å; V285-A287 PolarHBondContact O-N 2.97Å; V285-Q288 PolarHBondContact O-N 3.19Å; V285-I289 HydrophobicContact CG1-CD1 4.01Å; V285-I289 WeakPolarHBondContact O-CB 2.99Å; V285-I289 WeakPolarHBondContact O-CG1 3.44Å; V285-I289 PolarHBondContact O-N 2.73Å; V285-L472 HydrophobicContact CG1-CD1 3.95Å; V285-L472 HydrophobicContact CG1-CG 4.09Å
286I56.4Low59.6Low12 Ų1250.1 Ų50.16%0.06229%0.288CS..Hα-helixtrans-62.9-38.3173.9-71.9178000111.9F282 K283 G290 L472 V621 Y646F282-I286 HydrophobicContact CD1-CD1 3.72Å; F282-I286 HydrophobicContact CD1-CG1 4.49Å; F282-I286 HydrophobicContact CE1-CD1 3.34Å; F282-I286 HydrophobicContact CE1-CG1 4.36Å; F282-I286 HydrophobicContact CZ-CD1 4.18Å; F282-I286 WeakPolarHBondContact O-CG1 3.46Å; F282-I286 PolarHBondContact O-N 2.96Å; K283-I286 PolarHBondContact O-N 3.16Å; I286-G290 VanDerWaalsContact O-CA 3.23Å; I286-G290 WeakPolarHBondContact O-CA 3.36Å; I286-G290 PolarHBondContact O-N 3.05Å; I286-L472 HydrophobicContact CG1-CD2 4.22Å; I286-V621 HydrophobicContact CD1-CG1 4.47Å; I286-Y646 HydrophobicContact CD1-CE1 4.45Å
287A58.1Low60.2Low43 Ų4350.5 Ų50.536%0.35530%0.297SS..Hα-helixtrans-77.1-32.3-179.800000113.9K283 S284 V285 G293K283-A287 VanDerWaalsContact O-CB 3.24Å; K283-A287 WeakPolarHBondContact O-CB 3.49Å; K283-A287 PolarHBondContact O-N 3.25Å; S284-A287 PolarHBondContact O-N 3.1Å; V285-A287 PolarHBondContact O-N 2.97Å; A287-G293 PolarHBondContact O-N 2.7Å
288Q51.8Low61.1Low136 Ų13652 Ų5264%0.63630%0.304SS*.Hα-helixtrans-82.1-34.2178.2-72.3179.531.300112.9S284 V285 G293S284-Q288 WeakPolarHBondContact O-CB 3.23Å; S284-Q288 WeakPolarHBondContact O-CG 3.29Å; S284-Q288 PolarHBondContact O-N 3.29Å; S284-Q288 PolarHBondContact OG-NE2 3.18Å; V285-Q288 PolarHBondContact O-N 3.19Å; Q288-G293 WeakPolarHBondContact O-CA 3.47Å
289I49.8Very low62.4Low57 Ų5751.7 Ų51.729%0.29230%0.302SS..Hα-helixtrans-90.1-23.4176.5-59.6179.3000110.9V285 L472 T965V285-I289 HydrophobicContact CG1-CD1 4.01Å; V285-I289 WeakPolarHBondContact O-CB 2.99Å; V285-I289 WeakPolarHBondContact O-CG1 3.44Å; V285-I289 PolarHBondContact O-N 2.73Å; I289-L472 HydrophobicContact CB-CD1 3.75Å; I289-L472 HydrophobicContact CD1-CD1 3.91Å; I289-L472 HydrophobicContact CG1-CD1 4.35Å; I289-L472 HydrophobicContact CG2-CD1 3.8Å; I289-T965 CarbonylContact O-C 3.57Å; I289-T965 VanDerWaalsContact O-C 3.25Å; I289-T965 WeakPolarHBondContact O-CB 3.07Å; I289-T965 PolarHBondContact O-OG1 3.35Å
290G47.1Very low63.6Low3 Ų351.8 Ų51.83%0.03130%0.302CS..SBendtrans-66.8171169.200000113.6I286 G292 G293 T965I286-G290 VanDerWaalsContact O-CA 3.23Å; I286-G290 WeakPolarHBondContact O-CA 3.36Å; I286-G290 PolarHBondContact O-N 3.05Å; G290-G292 PolarHBondContact O-N 2.79Å; G290-G292 VanDerWaalsContact O-N 3.07Å; G290-G293 PolarHBondContact O-N 2.72Å; G290-T965 VanDerWaalsContact CA-OG1 3.23Å; G290-T965 WeakPolarHBondContact CA-OG1 3.42Å
291P50Low64.6Low23 Ų2353.4 Ų53.415%0.14931%0.306CS..G310 helixtrans-65.5-19.1-169.322.5-33.3000114.6G293 T294 F338 A347 A961 T965P291-G293 VanDerWaalsContact C-N 3.32Å; P291-G293 PolarHBondContact O-N 3.4Å; P291-T294 WeakPolarHBondContact O-CB 3.06Å; P291-T294 PolarHBondContact O-N 3.48Å; P291-F338 HydrophobicContact CB-CE1 3.89Å; P291-F338 HydrophobicContact CB-CZ 4.27Å; P291-A347 HydrophobicContact CB-CB 3.73Å; P291-A347 HydrophobicContact CG-CB 3.92Å; P291-A961 VanDerWaalsContact CD-O 3.23Å; P291-A961 WeakPolarHBondContact CD-O 3.45Å; P291-A961 WeakPolarHBondContact CG-O 3.46Å; P291-T965 HydrophobicContact CB-CG2 3.87Å; P291-T965 WeakPolarHBondContact CD-OG1 3.43Å; P291-T965 VanDerWaalsContact N-OG1 3.16Å
292G49.5Very low66Low5 Ų552.4 Ų52.45%0.05230%0.296CS..G310 helixtrans-59.9-39.9167.900000112.7G290 T294 I295 K300 A347G290-G292 PolarHBondContact O-N 2.79Å; G290-G292 VanDerWaalsContact O-N 3.07Å; G292-T294 PolarHBondContact O-N 2.98Å; G292-I295 PolarHBondContact O-N 3.42Å; G292-I295 VanDerWaalsContact O-N 3.15Å; G292-K300 WeakPolarHBondContact O-CE 3.17Å; G292-K300 PolarHBondContact O-NZ 3.34Å; G292-A347 WeakPolarHBondContact CA-O 3.49Å; G292-A347 PolarHBondContact N-O 2.8Å; G292-A347 VanDerWaalsContact N-O 3.12Å
293G52.7Low67.3Low41 Ų4152 Ų5242%0.42329%0.294SS..G310 helixtrans-68.7-18.3178.700000114.5A287 Q288 G290 P291 I295A287-G293 PolarHBondContact O-N 2.7Å; Q288-G293 WeakPolarHBondContact O-CA 3.47Å; G290-G293 PolarHBondContact O-N 2.72Å; P291-G293 VanDerWaalsContact C-N 3.32Å; P291-G293 PolarHBondContact O-N 3.4Å; G293-I295 PolarHBondContact O-N 2.83Å
294T58.3Low68.5Low71 Ų7150.1 Ų50.144%0.43629%0.286SS..G310 helixtrans-73.7-14.7173.6-41.30000112.4P291 G292P291-T294 WeakPolarHBondContact O-CB 3.06Å; P291-T294 PolarHBondContact O-N 3.48Å; G292-T294 PolarHBondContact O-N 2.98Å
295I68.9Low69.9Low8 Ų852.1 Ų52.14%0.04129%0.288CS..SBendtrans-97.5125.3-178.3-60.2164.8000108.9G292 G293 L299 K300 F338 L344 A347 L348G292-I295 PolarHBondContact O-N 3.42Å; G292-I295 VanDerWaalsContact O-N 3.15Å; G293-I295 PolarHBondContact O-N 2.83Å; I295-L299 HydrophobicContact CG2-CB 3.99Å; I295-L299 HydrophobicContact CG2-CD2 3.97Å; I295-L299 HydrophobicContact CG2-CG 3.87Å; I295-K300 HydrophobicContact CB-CG 4.39Å; I295-K300 HydrophobicContact CG2-CG 3.92Å; I295-F338 HydrophobicContact CD1-CE2 3.8Å; I295-F338 HydrophobicContact CD1-CZ 3.86Å; I295-F338 HydrophobicContact CG1-CE2 3.97Å; I295-F338 HydrophobicContact CG1-CZ 4.14Å; I295-L344 HydrophobicContact CD1-CD1 3.6Å; I295-L344 HydrophobicContact CG1-CD1 4.45Å; I295-A347 HydrophobicContact CD1-CB 4.29Å; I295-L348 HydrophobicContact CB-CD2 4.31Å; I295-L348 HydrophobicContact CD1-CD1 4.09Å; I295-L348 HydrophobicContact CD1-CD2 3.48Å; I295-L348 VanDerWaalsContact CD1-CD2 3.48Å; I295-L348 HydrophobicContact CD1-CG 3.63Å; I295-L348 HydrophobicContact CG1-CD2 4.5Å; I295-L348 HydrophobicContact CG2-CD2 4.23Å
296S78.3Confident71.6Confident64 Ų6450.4 Ų50.445%0.44828%0.278SS..  trans-59.2145.5-177.373.10000111.9E298 L299 K300S296-E298 PolarHBondContact O-N 3.19Å; S296-L299 PolarHBondContact O-N 2.81Å; S296-L299 WeakPolarHBondContact OG-CB 3.23Å; S296-L299 PolarHBondContact OG-N 2.93Å; S296-K300 PolarHBondContact O-N 2.71Å
297S79.4Confident73.2Confident81 Ų8149.9 Ų49.957%0.56628%0.275SS*.Hα-helixtrans-55.6-38179.5-175.70000111.9L299 K300 H301S297-L299 PolarHBondContact O-N 2.98Å; S297-K300 PolarHBondContact O-N 3.01Å; S297-H301 PolarHBondContact O-N 2.82Å; S297-H301 PolarHBondContact O-ND1 3.01Å; S297-H301 PolarHBondContact OG-CE1 3.18Å; S297-H301 PolarHBondContact OG-ND1 3.19Å
298E83.9Confident74.8Confident150 Ų15049.1 Ų49.170%0.70127%0.268SS*.Hα-helixtrans-57.2-47.5173-62.6172.4-177.400112.2S296 H301 K302S296-E298 PolarHBondContact O-N 3.19Å; E298-H301 PolarHBondContact O-N 2.83Å; E298-K302 WeakPolarHBondContact O-CG 3.23Å; E298-K302 PolarHBondContact O-N 3.23Å
299L86.3Confident76.7Confident23 Ų2348.3 Ų48.312%0.1226%0.262CS..Hα-helixtrans-69.7-36179.7-17853.3000111.8I295 S296 S297 K302 I303 Y323 L331 L336I295-L299 HydrophobicContact CG2-CB 3.99Å; I295-L299 HydrophobicContact CG2-CD2 3.97Å; I295-L299 HydrophobicContact CG2-CG 3.87Å; S296-L299 PolarHBondContact O-N 2.81Å; S296-L299 WeakPolarHBondContact OG-CB 3.23Å; S296-L299 PolarHBondContact OG-N 2.93Å; S297-L299 PolarHBondContact O-N 2.98Å; L299-K302 PolarHBondContact O-N 3.43Å; L299-I303 HydrophobicContact CD1-CD1 3.91Å; L299-I303 HydrophobicContact CD1-CG1 4.06Å; L299-I303 HydrophobicContact CG-CD1 3.94Å; L299-I303 WeakPolarHBondContact O-CG1 3.14Å; L299-I303 PolarHBondContact O-N 2.95Å; L299-Y323 HydrophobicContact CD1-CE2 3.73Å; L299-Y323 VanDerWaalsContact CD1-OH 3.32Å; L299-Y323 WeakPolarHBondContact CD1-OH 3.43Å; L299-L331 HydrophobicContact CD1-CD1 4.09Å; L299-L331 HydrophobicContact CD2-CD1 4.38Å; L299-L336 HydrophobicContact CD2-CD1 3.85Å; L299-L336 HydrophobicContact CD2-CD2 3.81Å
300K86.4Confident78.6Confident24 Ų2448.6 Ų48.610%0.10426%0.261CS..Hα-helixtrans-58-48.5169.1-66.4-151.8-175.6-163.90111.7G292 I295 S296 S297 K302 I303 K304 L348 D350 I351G292-K300 WeakPolarHBondContact O-CE 3.17Å; G292-K300 PolarHBondContact O-NZ 3.34Å; I295-K300 HydrophobicContact CB-CG 4.39Å; I295-K300 HydrophobicContact CG2-CG 3.92Å; S296-K300 PolarHBondContact O-N 2.71Å; S297-K300 PolarHBondContact O-N 3.01Å; K300-K302 VanDerWaalsContact C-N 3.34Å; K300-K302 PolarHBondContact O-N 3.08Å; K300-I303 PolarHBondContact O-N 2.92Å; K300-K304 VanDerWaalsContact O-CB 3.31Å; K300-K304 WeakPolarHBondContact O-CB 3.43Å; K300-K304 PolarHBondContact O-N 3.45Å; K300-L348 HydrophobicContact CD-CD2 3.86Å; K300-L348 HydrophobicContact CG-CD2 3.81Å; K300-D350 IonicContact NZ-OD1 3.87Å; K300-D350 PolarHBondContact NZ-OD1 3.27Å; K300-D350 IonicContact NZ-OD2 2.87Å; K300-D350 PolarHBondContact NZ-OD2 2.9Å; K300-I351 HydrophobicContact CB-CD1 3.98Å; K300-I351 HydrophobicContact CG-CD1 4.45Å; K300-I351 WeakPolarHBondContact O-CD1 3.49Å
301H88.4Confident80.4Confident130 Ų13053.4 Ų53.460%0.60229%0.292SS*.Hα-helixtrans-62.2-40.2178.3-7785.2000112.1S297 E298 F305S297-H301 PolarHBondContact O-N 2.82Å; S297-H301 PolarHBondContact O-ND1 3.01Å; S297-H301 PolarHBondContact OG-CE1 3.18Å; S297-H301 PolarHBondContact OG-ND1 3.19Å; E298-H301 PolarHBondContact O-N 2.83Å; H301-F305 VanDerWaalsContact O-CB 3.28Å; H301-F305 WeakPolarHBondContact O-CB 3.5Å; H301-F305 PolarHBondContact O-N 3.41Å
302K91.8Very high81.9Confident53 Ų5360.3 Ų60.323%0.2332%0.322CS..Hα-helixtrans-61.5-51.4173.2-71.3-178176.4171.40111.9E298 L299 K300 K304 F305 V306 Y323 F327 E329E298-K302 WeakPolarHBondContact O-CG 3.23Å; E298-K302 PolarHBondContact O-N 3.23Å; L299-K302 PolarHBondContact O-N 3.43Å; K300-K302 VanDerWaalsContact C-N 3.34Å; K300-K302 PolarHBondContact O-N 3.08Å; K302-K304 PolarHBondContact O-N 3.41Å; K302-F305 WeakPolarHBondContact O-CB 3.33Å; K302-F305 PolarHBondContact O-N 2.92Å; K302-F305 VanDerWaalsContact O-N 3.17Å; K302-V306 WeakPolarHBondContact O-CG2 3.27Å; K302-V306 PolarHBondContact O-N 2.83Å; K302-Y323 HydrophobicContact CB-CE2 3.68Å; K302-Y323 HydrophobicContact CD-CE2 4.35Å; K302-Y323 WeakPolarHBondContact CD-OH 3.35Å; K302-F327 HydrophobicContact CB-CD2 4.11Å; K302-F327 HydrophobicContact CB-CE1 4.28Å; K302-F327 HydrophobicContact CB-CE2 3.63Å; K302-F327 HydrophobicContact CB-CZ 3.73Å; K302-F327 HydrophobicContact CD-CD1 4.04Å; K302-F327 HydrophobicContact CD-CD2 4.44Å; K302-F327 HydrophobicContact CD-CE1 4.18Å; K302-F327 HydrophobicContact CD-CG 4.19Å; K302-F327 HydrophobicContact CD-CZ 4.45Å; K302-F327 HydrophobicContact CG-CD1 4.11Å; K302-F327 HydrophobicContact CG-CD2 4.37Å; K302-F327 HydrophobicContact CG-CE1 3.73Å; K302-F327 HydrophobicContact CG-CE2 4.01Å; K302-F327 HydrophobicContact CG-CG 4.43Å; K302-F327 HydrophobicContact CG-CZ 3.68Å; K302-F327 WeakPolarHBondContact O-CE2 3.45Å; K302-E329 IonicContact NZ-OE1 3.89Å; K302-E329 PolarHBondContact NZ-OE1 2.86Å; K302-E329 IonicContact NZ-OE2 3.03Å; K302-E329 PolarHBondContact NZ-OE2 3.34Å
303I89.8Confident83.6Confident0 Ų060.6 Ų60.60%033%0.325CS..Hα-helixtrans-63.2-43.5-179.5-66.3168.6000111.1L299 K300 F305 V306 V307 L319 Y323 L331 L348 L352L299-I303 HydrophobicContact CD1-CD1 3.91Å; L299-I303 HydrophobicContact CD1-CG1 4.06Å; L299-I303 HydrophobicContact CG-CD1 3.94Å; L299-I303 WeakPolarHBondContact O-CG1 3.14Å; L299-I303 PolarHBondContact O-N 2.95Å; K300-I303 PolarHBondContact O-N 2.92Å; I303-F305 VanDerWaalsContact C-N 3.32Å; I303-F305 PolarHBondContact O-N 3.38Å; I303-V306 WeakPolarHBondContact O-CB 3.44Å; I303-V306 PolarHBondContact O-N 2.92Å; I303-V307 PolarHBondContact O-N 2.66Å; I303-V307 VanDerWaalsContact O-N 3.13Å; I303-L319 HydrophobicContact CG2-CD1 4.48Å; I303-Y323 HydrophobicContact CG1-CD2 3.96Å; I303-Y323 HydrophobicContact CG1-CE2 3.91Å; I303-L331 HydrophobicContact CD1-CD1 4.43Å; I303-L331 HydrophobicContact CD1-CD2 3.98Å; I303-L331 HydrophobicContact CG1-CD2 4.04Å; I303-L348 HydrophobicContact CB-CD1 4.38Å; I303-L348 HydrophobicContact CD1-CD1 3.64Å; I303-L348 HydrophobicContact CG2-CD1 3.94Å; I303-L352 HydrophobicContact CG2-CD1 3.98Å
304K91.5Very high85.4Confident43 Ų4358.9 Ų58.919%0.18731%0.306CS..Hα-helixtrans-58.7-43.6173.6-167.1175.2-172.3171.80111.1K300 K302 V306 V307 S308 I351 D367 D369K300-K304 VanDerWaalsContact O-CB 3.31Å; K300-K304 WeakPolarHBondContact O-CB 3.43Å; K300-K304 PolarHBondContact O-N 3.45Å; K302-K304 PolarHBondContact O-N 3.41Å; K304-V306 PolarHBondContact O-N 3.48Å; K304-V307 PolarHBondContact O-N 2.85Å; K304-S308 WeakPolarHBondContact O-CB 3.24Å; K304-S308 PolarHBondContact O-N 3.42Å; K304-I351 HydrophobicContact CB-CD1 3.99Å; K304-I351 HydrophobicContact CD-CB 4.1Å; K304-I351 HydrophobicContact CD-CG2 4.14Å; K304-I351 HydrophobicContact CG-CB 4.49Å; K304-D367 WeakPolarHBondContact CE-OD1 3.21Å; K304-D367 IonicContact NZ-OD1 2.63Å; K304-D369 IonicContact NZ-OD1 3.37Å; K304-D369 IonicContact NZ-OD2 3.75Å; K304-D369 PolarHBondContact NZ-OD2 3.17Å
305F92Very high86.8Confident91 Ų9158.6 Ų58.640%0.39930%0.299SS..Hα-helixtrans-59.5-43176.4-179.6-95000112.5H301 K302 I303 S308 K309 I326 F327H301-F305 VanDerWaalsContact O-CB 3.28Å; H301-F305 WeakPolarHBondContact O-CB 3.5Å; H301-F305 PolarHBondContact O-N 3.41Å; K302-F305 WeakPolarHBondContact O-CB 3.33Å; K302-F305 PolarHBondContact O-N 2.92Å; K302-F305 VanDerWaalsContact O-N 3.17Å; I303-F305 VanDerWaalsContact C-N 3.32Å; I303-F305 PolarHBondContact O-N 3.38Å; F305-S308 PolarHBondContact O-N 2.95Å; F305-S308 PolarHBondContact O-OG 2.72Å; F305-K309 VanDerWaalsContact CZ-CE 3.42Å; F305-I326 HydrophobicContact CD1-CG2 4Å; F305-I326 HydrophobicContact CE1-CG2 3.79Å; F305-F327 HydrophobicContact CB-CZ 4.36Å; F305-F327 HydrophobicContact CD1-CE2 4.18Å; F305-F327 AromaticContact CD1-CZ 3.74Å; F305-F327 HydrophobicContact CD1-CZ 3.74Å; F305-F327 HydrophobicContact CE1-CZ 4.43Å; F305-F327 HydrophobicContact CG-CZ 4.36Å
306V92.4Very high87.7Confident0 Ų058.5 Ų58.50%030%0.298CS..Hα-helixtrans-55.8-57.3174.21790000110.3K302 I303 K304 S308 K309 F310 L314 L319 E322 Y323 I326 F327K302-V306 WeakPolarHBondContact O-CG2 3.27Å; K302-V306 PolarHBondContact O-N 2.83Å; I303-V306 WeakPolarHBondContact O-CB 3.44Å; I303-V306 PolarHBondContact O-N 2.92Å; K304-V306 PolarHBondContact O-N 3.48Å; V306-S308 VanDerWaalsContact C-N 3.27Å; V306-S308 PolarHBondContact O-N 3.25Å; V306-K309 WeakPolarHBondContact O-CB 3.43Å; V306-K309 PolarHBondContact O-N 2.74Å; V306-F310 WeakPolarHBondContact O-CD2 3.44Å; V306-L314 HydrophobicContact CG1-CD2 3.79Å; V306-L319 HydrophobicContact CG1-CD1 4.14Å; V306-E322 HydrophobicContact CG1-CB 3.61Å; V306-Y323 HydrophobicContact CG2-CD2 3.92Å; V306-Y323 HydrophobicContact CG2-CG 4.32Å; V306-I326 HydrophobicContact CB-CD1 4.39Å; V306-I326 HydrophobicContact CG1-CD1 4.2Å; V306-I326 HydrophobicContact CG2-CD1 4.17Å; V306-F327 HydrophobicContact CG2-CD2 4.22Å; V306-F327 HydrophobicContact CG2-CE2 3.84Å
307V91.8Very high88Confident1 Ų159.7 Ų59.71%0.00631%0.307CS..Hα-helixtrans-63.6-35.5-176.7179.90000111.4I303 K304 K309 F310 L314 L319 L352 V365 F366I303-V307 PolarHBondContact O-N 2.66Å; I303-V307 VanDerWaalsContact O-N 3.13Å; K304-V307 PolarHBondContact O-N 2.85Å; V307-K309 PolarHBondContact O-N 2.95Å; V307-F310 PolarHBondContact O-N 3.48Å; V307-L314 HydrophobicContact CG2-CD2 4.33Å; V307-L319 HydrophobicContact CG2-CD1 3.75Å; V307-L352 HydrophobicContact CB-CD2 3.94Å; V307-L352 HydrophobicContact CG1-CD2 4.14Å; V307-L352 HydrophobicContact CG2-CD2 3.75Å; V307-V365 HydrophobicContact CG1-CB 4.4Å; V307-V365 HydrophobicContact CG1-CG1 4.07Å; V307-V365 WeakPolarHBondContact CG1-O 3.29Å; V307-V365 HydrophobicContact CG2-CG1 4.01Å; V307-F366 VanDerWaalsContact CG1-C 3.42Å
308S90.9Very high88.5Confident28 Ų2861.1 Ų61.120%0.19630%0.303CS..THydrogen-bonded Turntrans-60.6-15.817985.20000114.6K304 F305 V306 D367 K370K304-S308 WeakPolarHBondContact O-CB 3.24Å; K304-S308 PolarHBondContact O-N 3.42Å; F305-S308 PolarHBondContact O-N 2.95Å; F305-S308 PolarHBondContact O-OG 2.72Å; V306-S308 VanDerWaalsContact C-N 3.27Å; V306-S308 PolarHBondContact O-N 3.25Å; S308-D367 WeakPolarHBondContact CB-OD2 3.49Å; S308-K370 PolarHBondContact O-NZ 3.08Å
309K90.8Very high88.8Confident119 Ų11954 Ų5452%0.51727%0.27SS..THydrogen-bonded Turntrans-78.7-18.6174.1-64.5-70.8-177.2175.40113.8F305 V306 V307 P311 I326F305-K309 VanDerWaalsContact CZ-CE 3.42Å; V306-K309 WeakPolarHBondContact O-CB 3.43Å; V306-K309 PolarHBondContact O-N 2.74Å; V307-K309 PolarHBondContact O-N 2.95Å; K309-P311 WeakPolarHBondContact O-CD 3.47Å; K309-I326 HydrophobicContact CG-CD1 4.4Å
310F90.8Very high89Confident63 Ų6355 Ų5528%0.27628%0.275SS..  trans-114.280-173.7-61.6-85.2000110.4V306 V307 E312 G313 L314 E322V306-F310 WeakPolarHBondContact O-CD2 3.44Å; V307-F310 PolarHBondContact O-N 3.48Å; F310-E312 PolarHBondContact O-N 3.38Å; F310-G313 WeakPolarHBondContact O-CA 3.29Å; F310-G313 PolarHBondContact O-N 3.41Å; F310-L314 HydrophobicContact CB-CB 3.97Å; F310-L314 HydrophobicContact CD1-CD1 4.33Å; F310-L314 HydrophobicContact CD2-CB 4.08Å; F310-L314 HydrophobicContact CD2-CD1 4.01Å; F310-L314 HydrophobicContact CD2-CD2 3.81Å; F310-L314 HydrophobicContact CD2-CG 4.19Å; F310-L314 HydrophobicContact CE1-CD1 4.41Å; F310-L314 HydrophobicContact CE2-CD1 4.1Å; F310-L314 HydrophobicContact CE2-CD2 4Å; F310-L314 HydrophobicContact CG-CB 4.09Å; F310-L314 HydrophobicContact CG-CD1 4.13Å; F310-L314 HydrophobicContact CG-CG 4.5Å; F310-L314 HydrophobicContact CZ-CD1 4.31Å; F310-E322 HydrophobicContact CE2-CB 4.17Å; F310-E322 HydrophobicContact CE2-CG 3.93Å; F310-E322 HydrophobicContact CZ-CB 4.39Å; F310-E322 HydrophobicContact CZ-CG 3.76Å
311P83.9Confident89.1Confident103 Ų10355.6 Ų55.667%0.66929%0.288SS*.THydrogen-bonded Turntrans-66.4-18.5-175.427.7-36.1000114.1K309 G313K309-P311 WeakPolarHBondContact O-CD 3.47Å; P311-G313 VanDerWaalsContact C-N 3.28Å
312E82.8Confident89.3Confident168 Ų16851.9 Ų51.979%0.78527%0.271SS*.THydrogen-bonded Turntrans-86.11.8172.4-60-170.7-179.400113.5F310F310-E312 PolarHBondContact O-N 3.38Å
313G85Confident89.3Confident12 Ų1249.6 Ų49.612%0.12426%0.261CS..  trans96.7144.3-175.600000112.9F310 P311 V365 F366F310-G313 WeakPolarHBondContact O-CA 3.29Å; F310-G313 PolarHBondContact O-N 3.41Å; P311-G313 VanDerWaalsContact C-N 3.28Å; G313-V365 CarbonylContact C-O 3.57Å; G313-V365 WeakPolarHBondContact CA-O 3.36Å; G313-F366 VanDerWaalsContact CA-CE1 3.44Å
314L90Very high89.4Confident4 Ų453.8 Ų53.82%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-105.1124.5174.8179.255.9000110.3V306 V307 F310 I316 K318 L319 E322 V365V306-L314 HydrophobicContact CG1-CD2 3.79Å; V307-L314 HydrophobicContact CG2-CD2 4.33Å; F310-L314 HydrophobicContact CB-CB 3.97Å; F310-L314 HydrophobicContact CD1-CD1 4.33Å; F310-L314 HydrophobicContact CD2-CB 4.08Å; F310-L314 HydrophobicContact CD2-CD1 4.01Å; F310-L314 HydrophobicContact CD2-CD2 3.81Å; F310-L314 HydrophobicContact CD2-CG 4.19Å; F310-L314 HydrophobicContact CE1-CD1 4.41Å; F310-L314 HydrophobicContact CE2-CD1 4.1Å; F310-L314 HydrophobicContact CE2-CD2 4Å; F310-L314 HydrophobicContact CG-CB 4.09Å; F310-L314 HydrophobicContact CG-CD1 4.13Å; F310-L314 HydrophobicContact CG-CG 4.5Å; F310-L314 HydrophobicContact CZ-CD1 4.31Å; L314-I316 PolarHBondContact O-N 2.89Å; L314-K318 HydrophobicContact CD1-CB 3.8Å; L314-L319 HydrophobicContact CD2-CB 4.48Å; L314-L319 HydrophobicContact CD2-CD1 3.78Å; L314-E322 HydrophobicContact CD1-CG 3.86Å; L314-E322 HydrophobicContact CD2-CB 4.29Å; L314-E322 HydrophobicContact CD2-CG 4.22Å; L314-V365 PolarHBondContact N-O 2.94Å; L314-V365 WeakPolarHBondContact O-CB 3.3Å; L314-V365 WeakPolarHBondContact O-CG2 3.11Å; L314-V365 PolarHBondContact O-N 2.87Å
315F88.6Confident89.4Confident65 Ų6556.9 Ų56.929%0.28530%0.302SS..EExtended strand (participates in β ladder)trans-58.7133.1174.3-76.7-68.6000112.2S317 K318 L319 D362 L363 L364F315-S317 PolarHBondContact O-N 2.74Å; F315-K318 HydrophobicContact CB-CB 4.46Å; F315-K318 HydrophobicContact CB-CD 4.46Å; F315-K318 HydrophobicContact CB-CG 4.23Å; F315-K318 WeakPolarHBondContact O-CB 3.45Å; F315-K318 PolarHBondContact O-N 3.34Å; F315-L319 PolarHBondContact O-N 3.03Å; F315-D362 WeakPolarHBondContact CB-OD2 3.47Å; F315-D362 HydrophobicContact CD1-CB 3.94Å; F315-L363 CarbonylContact C-O 3.56Å; F315-L363 WeakPolarHBondContact CA-O 3.44Å; F315-L364 HydrophobicContact CD1-CD2 3.75Å; F315-L364 HydrophobicContact CD1-CG 4.32Å; F315-L364 HydrophobicContact CD2-CD2 4.17Å; F315-L364 HydrophobicContact CE1-CD2 3.72Å; F315-L364 HydrophobicContact CE1-CG 4.12Å; F315-L364 HydrophobicContact CE2-CD2 4.14Å; F315-L364 HydrophobicContact CG-CD2 3.99Å; F315-L364 HydrophobicContact CZ-CD2 3.92Å
316I86.3Confident89.4Confident6 Ų655.2 Ų55.23%0.03130%0.297CS..Hα-helixtrans-56.5-38.8-179.2-74.3-169.5000111.5L314 K318 L319 V341 T342 V345 V354 D362 L363 V365L314-I316 PolarHBondContact O-N 2.89Å; I316-K318 PolarHBondContact O-N 2.63Å; I316-L319 PolarHBondContact O-N 2.72Å; I316-V341 HydrophobicContact CG2-CB 3.99Å; I316-V341 HydrophobicContact CG2-CG1 3.86Å; I316-T342 HydrophobicContact CD1-CG2 4.19Å; I316-V345 HydrophobicContact CD1-CB 4.17Å; I316-V345 HydrophobicContact CD1-CG1 4.05Å; I316-V345 HydrophobicContact CD1-CG2 4.29Å; I316-V345 HydrophobicContact CG1-CG2 4.4Å; I316-V354 HydrophobicContact CD1-CG1 4.36Å; I316-D362 PolarHBondContact N-OD1 3.07Å; I316-L363 HydrophobicContact CB-CB 4.48Å; I316-L363 HydrophobicContact CD1-CB 3.62Å; I316-L363 HydrophobicContact CD1-CD1 3.85Å; I316-L363 HydrophobicContact CD1-CG 4.39Å; I316-L363 HydrophobicContact CG1-CB 3.89Å; I316-L363 PolarHBondContact N-O 2.82Å; I316-V365 HydrophobicContact CD1-CG2 4.05Å; I316-V365 HydrophobicContact CG1-CG2 3.3Å
317S85.7Confident89.3Confident89 Ų8958 Ų5862%0.62231%0.309SS*.Hα-helixtrans-59.1-27176.1630000114.1F315 D362F315-S317 PolarHBondContact O-N 2.74Å; S317-D362 WeakPolarHBondContact CB-OD2 3.21Å; S317-D362 PolarHBondContact N-OD1 3.35Å; S317-D362 PolarHBondContact N-OD2 3.35Å; S317-D362 VanDerWaalsContact N-OD2 3.15Å; S317-D362 PolarHBondContact OG-OD2 2.88Å
318K90.1Very high89.1Confident111 Ų11167.1 Ų67.148%0.48335%0.349SS..Hα-helixtrans-90.2-19.3-179.5-66.2-169175.6-169.30114.1L314 F315 I316 L320 G321 E322L314-K318 HydrophobicContact CD1-CB 3.8Å; F315-K318 HydrophobicContact CB-CB 4.46Å; F315-K318 HydrophobicContact CB-CD 4.46Å; F315-K318 HydrophobicContact CB-CG 4.23Å; F315-K318 WeakPolarHBondContact O-CB 3.45Å; F315-K318 PolarHBondContact O-N 3.34Å; I316-K318 PolarHBondContact O-N 2.63Å; K318-L320 VanDerWaalsContact C-N 3.29Å; K318-L320 PolarHBondContact O-N 3.36Å; K318-L320 VanDerWaalsContact O-N 3.17Å; K318-G321 PolarHBondContact O-N 3.05Å; K318-E322 HydrophobicContact CB-CG 4.38Å; K318-E322 PolarHBondContact O-N 3.18Å
319L90.2Very high88.9Confident1 Ų169.7 Ų69.71%0.00536%0.358CS..Hα-helixtrans-54-41.4-171179.963.3000113.6I303 V306 V307 L314 F315 I316 Y323 V341 V345I303-L319 HydrophobicContact CG2-CD1 4.48Å; V306-L319 HydrophobicContact CG1-CD1 4.14Å; V307-L319 HydrophobicContact CG2-CD1 3.75Å; L314-L319 HydrophobicContact CD2-CB 4.48Å; L314-L319 HydrophobicContact CD2-CD1 3.78Å; F315-L319 PolarHBondContact O-N 3.03Å; I316-L319 PolarHBondContact O-N 2.72Å; L319-Y323 WeakPolarHBondContact O-CB 3.37Å; L319-Y323 PolarHBondContact O-N 3.37Å; L319-Y323 VanDerWaalsContact O-N 3.11Å; L319-V341 HydrophobicContact CB-CG1 4.42Å; L319-V341 HydrophobicContact CD2-CG1 4.24Å; L319-V345 HydrophobicContact CD2-CG2 3.36Å
320L89.9Confident88.5Confident45 Ų4570 Ų7024%0.23636%0.361CS..Hα-helixtrans-66.4-40.8177.3-58.6-167.8000112.2K318 Y323 E324 L331 P333 V341K318-L320 VanDerWaalsContact C-N 3.29Å; K318-L320 PolarHBondContact O-N 3.36Å; K318-L320 VanDerWaalsContact O-N 3.17Å; L320-Y323 PolarHBondContact O-N 3.03Å; L320-E324 WeakPolarHBondContact O-CB 3.37Å; L320-E324 PolarHBondContact O-N 2.94Å; L320-L331 HydrophobicContact CD2-CB 4.08Å; L320-L331 HydrophobicContact CD2-CD2 3.84Å; L320-L331 HydrophobicContact CD2-CG 3.8Å; L320-P333 HydrophobicContact CD1-CG 4.43Å; L320-P333 HydrophobicContact CD2-CG 4.22Å; L320-V341 HydrophobicContact CD1-CG2 3.65Å; L320-V341 HydrophobicContact CD2-CG1 4.08Å; L320-V341 HydrophobicContact CD2-CG2 4.09Å; L320-V341 HydrophobicContact CG-CG1 4.26Å; L320-V341 HydrophobicContact CG-CG2 3.74Å
321G89.1Confident88.3Confident36 Ų3667.5 Ų67.537%0.37135%0.351SS..Hα-helixtrans-68.2-45.1-179.300000112.4K318 Y323 E324 V325K318-G321 PolarHBondContact O-N 3.05Å; G321-Y323 VanDerWaalsContact C-N 3.31Å; G321-Y323 PolarHBondContact O-N 3.43Å; G321-E324 PolarHBondContact O-N 3.45Å; G321-V325 WeakPolarHBondContact O-CB 3.29Å; G321-V325 VanDerWaalsContact O-CG2 3.3Å; G321-V325 WeakPolarHBondContact O-CG2 3.43Å; G321-V325 PolarHBondContact O-N 3.05Å
322E91.5Very high88.2Confident51 Ų5163.8 Ų63.824%0.23833%0.327CS..Hα-helixtrans-65.8-34.8176.3-58.9-60162.400111.7V306 F310 L314 K318 I326V306-E322 HydrophobicContact CG1-CB 3.61Å; F310-E322 HydrophobicContact CE2-CB 4.17Å; F310-E322 HydrophobicContact CE2-CG 3.93Å; F310-E322 HydrophobicContact CZ-CB 4.39Å; F310-E322 HydrophobicContact CZ-CG 3.76Å; L314-E322 HydrophobicContact CD1-CG 3.86Å; L314-E322 HydrophobicContact CD2-CB 4.29Å; L314-E322 HydrophobicContact CD2-CG 4.22Å; K318-E322 HydrophobicContact CB-CG 4.38Å; K318-E322 PolarHBondContact O-N 3.18Å; E322-I326 WeakPolarHBondContact O-CB 3.11Å; E322-I326 VanDerWaalsContact O-CG1 3.23Å; E322-I326 WeakPolarHBondContact O-CG1 3.44Å; E322-I326 PolarHBondContact O-N 2.86Å
323Y92.7Very high88.1Confident5 Ų556.3 Ų56.32%0.0229%0.293CS..Hα-helixtrans-63.2-47.5171.6-175.8-75.2000111.7L299 K302 I303 V306 L319 L320 G321 V325 I326 F327 E329 L331L299-Y323 HydrophobicContact CD1-CE2 3.73Å; L299-Y323 VanDerWaalsContact CD1-OH 3.32Å; L299-Y323 WeakPolarHBondContact CD1-OH 3.43Å; K302-Y323 HydrophobicContact CB-CE2 3.68Å; K302-Y323 HydrophobicContact CD-CE2 4.35Å; K302-Y323 WeakPolarHBondContact CD-OH 3.35Å; I303-Y323 HydrophobicContact CG1-CD2 3.96Å; I303-Y323 HydrophobicContact CG1-CE2 3.91Å; V306-Y323 HydrophobicContact CG2-CD2 3.92Å; V306-Y323 HydrophobicContact CG2-CG 4.32Å; L319-Y323 WeakPolarHBondContact O-CB 3.37Å; L319-Y323 PolarHBondContact O-N 3.37Å; L319-Y323 VanDerWaalsContact O-N 3.11Å; L320-Y323 PolarHBondContact O-N 3.03Å; G321-Y323 VanDerWaalsContact C-N 3.31Å; G321-Y323 PolarHBondContact O-N 3.43Å; Y323-V325 VanDerWaalsContact C-N 3.34Å; Y323-V325 PolarHBondContact O-N 3.29Å; Y323-I326 PolarHBondContact O-N 3.16Å; Y323-F327 HydrophobicContact CD1-CD2 4.5Å; Y323-F327 HydrophobicContact CD2-CD2 4.02Å; Y323-F327 HydrophobicContact CE1-CB 4.16Å; Y323-F327 HydrophobicContact CE1-CD2 4.42Å; Y323-F327 AromaticContact CE2-CD2 3.94Å; Y323-F327 HydrophobicContact CE2-CD2 3.94Å; Y323-F327 HydrophobicContact CE2-CE2 4.43Å; Y323-F327 HydrophobicContact CG-CD2 4.29Å; Y323-F327 PolarHBondContact O-N 3.5Å; Y323-E329 VanDerWaalsContact CD1-O 3.27Å; Y323-E329 WeakPolarHBondContact CD1-O 3.42Å; Y323-E329 HydrophobicContact CE1-CB 3.71Å; Y323-E329 WeakPolarHBondContact CE1-O 3.2Å; Y323-E329 PolarHBondContact OH-OE2 3.08Å; Y323-L331 HydrophobicContact CD1-CB 3.56Å; Y323-L331 HydrophobicContact CD1-CD2 4.43Å; Y323-L331 HydrophobicContact CD2-CB 4.45Å; Y323-L331 HydrophobicContact CD2-CD2 3.86Å; Y323-L331 HydrophobicContact CE1-CB 3.9Å; Y323-L331 HydrophobicContact CE2-CD2 4.33Å; Y323-L331 HydrophobicContact CG-CB 3.89Å; Y323-L331 HydrophobicContact CG-CD2 3.94Å
324E92.3Very high87.7Confident89 Ų8963.9 Ų63.942%0.41632%0.323SS..Hα-helixtrans-65.4-36.6179.8-170.9163.3-15100111.8L320 G321 K328 E329L320-E324 WeakPolarHBondContact O-CB 3.37Å; L320-E324 PolarHBondContact O-N 2.94Å; G321-E324 PolarHBondContact O-N 3.45Å; E324-K328 WeakPolarHBondContact O-CA 3.48Å; E324-K328 PolarHBondContact O-N 2.8Å; E324-E329 WeakPolarHBondContact CA-O 3.48Å
325V91.2Very high87.1Confident107 Ų10771.3 Ų71.365%0.64836%0.355SS*.Hα-helixtrans-65.4-44.1172.8167.70000112.2G321 Y323G321-V325 WeakPolarHBondContact O-CB 3.29Å; G321-V325 VanDerWaalsContact O-CG2 3.3Å; G321-V325 WeakPolarHBondContact O-CG2 3.43Å; G321-V325 PolarHBondContact O-N 3.05Å; Y323-V325 VanDerWaalsContact C-N 3.34Å; Y323-V325 PolarHBondContact O-N 3.29Å
326I91.4Very high86.4Confident57 Ų5770.9 Ų70.929%0.29236%0.355SS..Hα-helixtrans-76.8-43.8-175-70.9170000112.1F305 V306 K309 E322 Y323F305-I326 HydrophobicContact CD1-CG2 4Å; F305-I326 HydrophobicContact CE1-CG2 3.79Å; V306-I326 HydrophobicContact CB-CD1 4.39Å; V306-I326 HydrophobicContact CG1-CD1 4.2Å; V306-I326 HydrophobicContact CG2-CD1 4.17Å; K309-I326 HydrophobicContact CG-CD1 4.4Å; E322-I326 WeakPolarHBondContact O-CB 3.11Å; E322-I326 VanDerWaalsContact O-CG1 3.23Å; E322-I326 WeakPolarHBondContact O-CG1 3.44Å; E322-I326 PolarHBondContact O-N 2.86Å; Y323-I326 PolarHBondContact O-N 3.16Å
327F91.6Very high85.4Confident58 Ų5872.6 Ų72.625%0.25437%0.374SS..Hα-helixtrans-103.8-10.8-173.3-69-70.8000114.7K302 F305 V306 Y323 E329K302-F327 HydrophobicContact CB-CD2 4.11Å; K302-F327 HydrophobicContact CB-CE1 4.28Å; K302-F327 HydrophobicContact CB-CE2 3.63Å; K302-F327 HydrophobicContact CB-CZ 3.73Å; K302-F327 HydrophobicContact CD-CD1 4.04Å; K302-F327 HydrophobicContact CD-CD2 4.44Å; K302-F327 HydrophobicContact CD-CE1 4.18Å; K302-F327 HydrophobicContact CD-CG 4.19Å; K302-F327 HydrophobicContact CD-CZ 4.45Å; K302-F327 HydrophobicContact CG-CD1 4.11Å; K302-F327 HydrophobicContact CG-CD2 4.37Å; K302-F327 HydrophobicContact CG-CE1 3.73Å; K302-F327 HydrophobicContact CG-CE2 4.01Å; K302-F327 HydrophobicContact CG-CG 4.43Å; K302-F327 HydrophobicContact CG-CZ 3.68Å; K302-F327 WeakPolarHBondContact O-CE2 3.45Å; F305-F327 HydrophobicContact CB-CZ 4.36Å; F305-F327 HydrophobicContact CD1-CE2 4.18Å; F305-F327 AromaticContact CD1-CZ 3.74Å; F305-F327 HydrophobicContact CD1-CZ 3.74Å; F305-F327 HydrophobicContact CE1-CZ 4.43Å; F305-F327 HydrophobicContact CG-CZ 4.36Å; V306-F327 HydrophobicContact CG2-CD2 4.22Å; V306-F327 HydrophobicContact CG2-CE2 3.84Å; Y323-F327 HydrophobicContact CD1-CD2 4.5Å; Y323-F327 HydrophobicContact CD2-CD2 4.02Å; Y323-F327 HydrophobicContact CE1-CB 4.16Å; Y323-F327 HydrophobicContact CE1-CD2 4.42Å; Y323-F327 AromaticContact CE2-CD2 3.94Å; Y323-F327 HydrophobicContact CE2-CD2 3.94Å; Y323-F327 HydrophobicContact CE2-CE2 4.43Å; Y323-F327 HydrophobicContact CG-CD2 4.29Å; Y323-F327 PolarHBondContact O-N 3.5Å; F327-E329 HydrophobicContact CB-CB 4.22Å; F327-E329 HydrophobicContact CB-CG 4.4Å; F327-E329 PolarHBondContact O-N 2.64Å
328K85.8Confident84.6Confident193 Ų19369 Ų6984%0.83935%0.347SS*.SBendtrans57.430.4-173.4-55.1-178.9-179.1179.30113E324E324-K328 WeakPolarHBondContact O-CA 3.48Å; E324-K328 PolarHBondContact O-N 2.8Å
329E87Confident83.6Confident81 Ų8170 Ų7038%0.37936%0.357SS..  trans-125.9132.1-177.2-77.1172.9-169.200109.3K302 Y323 E324 F327 L331K302-E329 IonicContact NZ-OE1 3.89Å; K302-E329 PolarHBondContact NZ-OE1 2.86Å; K302-E329 IonicContact NZ-OE2 3.03Å; K302-E329 PolarHBondContact NZ-OE2 3.34Å; Y323-E329 VanDerWaalsContact CD1-O 3.27Å; Y323-E329 WeakPolarHBondContact CD1-O 3.42Å; Y323-E329 HydrophobicContact CE1-CB 3.71Å; Y323-E329 WeakPolarHBondContact CE1-O 3.2Å; Y323-E329 PolarHBondContact OH-OE2 3.08Å; E324-E329 WeakPolarHBondContact CA-O 3.48Å; F327-E329 HydrophobicContact CB-CB 4.22Å; F327-E329 HydrophobicContact CB-CG 4.4Å; F327-E329 PolarHBondContact O-N 2.64Å; E329-L331 PolarHBondContact O-N 3.07Å; E329-L331 VanDerWaalsContact O-N 3.16Å
330Q83.6Confident82.8Confident125 Ų12573.5 Ų73.558%0.58438%0.376SS*.  trans-82.296.4-179.7-175179.286.400112.1S332Q330-S332 PolarHBondContact O-N 3.27Å; Q330-S332 PolarHBondContact O-OG 3.13Å
331L85.3Confident82.4Confident12 Ų1272.7 Ų72.76%0.06337%0.373CS..  trans-65.4114.4170.7-175.158.4000110.1L299 I303 L320 Y323 E329 L336 L344L299-L331 HydrophobicContact CD1-CD1 4.09Å; L299-L331 HydrophobicContact CD2-CD1 4.38Å; I303-L331 HydrophobicContact CD1-CD1 4.43Å; I303-L331 HydrophobicContact CD1-CD2 3.98Å; I303-L331 HydrophobicContact CG1-CD2 4.04Å; L320-L331 HydrophobicContact CD2-CB 4.08Å; L320-L331 HydrophobicContact CD2-CD2 3.84Å; L320-L331 HydrophobicContact CD2-CG 3.8Å; Y323-L331 HydrophobicContact CD1-CB 3.56Å; Y323-L331 HydrophobicContact CD1-CD2 4.43Å; Y323-L331 HydrophobicContact CD2-CB 4.45Å; Y323-L331 HydrophobicContact CD2-CD2 3.86Å; Y323-L331 HydrophobicContact CE1-CB 3.9Å; Y323-L331 HydrophobicContact CE2-CD2 4.33Å; Y323-L331 HydrophobicContact CG-CB 3.89Å; Y323-L331 HydrophobicContact CG-CD2 3.94Å; E329-L331 PolarHBondContact O-N 3.07Å; E329-L331 VanDerWaalsContact O-N 3.16Å; L331-L336 HydrophobicContact CD1-CD1 3.73Å; L331-L344 HydrophobicContact CD1-CD2 4.29Å; L331-L344 HydrophobicContact CD2-CD2 4.09Å; L331-L344 HydrophobicContact CG-CD2 4.19Å
332S83.3Confident81.9Confident25 Ų2574.4 Ų74.418%0.17538%0.376CS..  trans-126.899.3-17529.80000110Q330 K334 K335Q330-S332 PolarHBondContact O-N 3.27Å; Q330-S332 PolarHBondContact O-OG 3.13Å; S332-K334 PolarHBondContact O-N 3.05Å; S332-K335 PolarHBondContact O-N 2.98Å; S332-K335 VanDerWaalsContact OG-CD 3.29Å; S332-K335 WeakPolarHBondContact OG-CD 3.17Å; S332-K335 WeakPolarHBondContact OG-CE 3.33Å
333P79.7Confident81Confident11 Ų1175.5 Ų75.57%0.07138%0.381CS..Hα-helixtrans-49.8-39-175.6-2832.2000113.5L320 K335 L336 G337 F338 N340 V341 L344L320-P333 HydrophobicContact CD1-CG 4.43Å; L320-P333 HydrophobicContact CD2-CG 4.22Å; P333-K335 VanDerWaalsContact C-N 3.3Å; P333-K335 PolarHBondContact O-N 3.17Å; P333-L336 CarbonylContact O-C 3.49Å; P333-L336 WeakPolarHBondContact O-CA 3.33Å; P333-L336 WeakPolarHBondContact O-CB 3.36Å; P333-L336 PolarHBondContact O-N 2.99Å; P333-G337 PolarHBondContact O-N 3.27Å; P333-G337 VanDerWaalsContact O-N 3.1Å; P333-F338 CarbonylContact C-O 3.56Å; P333-F338 HydrophobicContact CB-CB 3.97Å; P333-F338 PolarHBondContact O-N 3.44Å; P333-N340 WeakPolarHBondContact CB-O 3.34Å; P333-V341 HydrophobicContact CG-CG2 4.1Å; P333-L344 HydrophobicContact CB-CB 4.33Å; P333-L344 HydrophobicContact CB-CD2 4.3Å; P333-L344 HydrophobicContact CG-CD2 3.94Å
334K76Confident80.3Confident170 Ų17075.3 Ų75.374%0.73938%0.381SS*.Hα-helixtrans-64-26.5179.2-62.6-176.2179.8-178.10114.6S332 F338 L339S332-K334 PolarHBondContact O-N 3.05Å; K334-F338 VanDerWaalsContact CA-O 3.24Å; K334-F338 WeakPolarHBondContact CA-O 3.28Å; K334-F338 PolarHBondContact N-O 3.23Å; K334-F338 VanDerWaalsContact N-O 3.16Å; K334-L339 VanDerWaalsContact CE-O 3.27Å; K334-L339 WeakPolarHBondContact CE-O 3.26Å
335K78.6Confident79.8Confident161 Ų16171.2 Ų71.270%0.736%0.362SS*.Hα-helixtrans-79.4-21.8172.6-63.9-172.9-165.1159.40112.4S332 P333S332-K335 PolarHBondContact O-N 2.98Å; S332-K335 VanDerWaalsContact OG-CD 3.29Å; S332-K335 WeakPolarHBondContact OG-CD 3.17Å; S332-K335 WeakPolarHBondContact OG-CE 3.33Å; P333-K335 VanDerWaalsContact C-N 3.3Å; P333-K335 PolarHBondContact O-N 3.17Å
336L72.8Confident78.8Confident55 Ų5568.4 Ų68.429%0.28835%0.354SS..Hα-helixtrans-89.8-6.1175.6-60.2170.8000112.7L299 L331 P333 F338 L344L299-L336 HydrophobicContact CD2-CD1 3.85Å; L299-L336 HydrophobicContact CD2-CD2 3.81Å; L331-L336 HydrophobicContact CD1-CD1 3.73Å; P333-L336 CarbonylContact O-C 3.49Å; P333-L336 WeakPolarHBondContact O-CA 3.33Å; P333-L336 WeakPolarHBondContact O-CB 3.36Å; P333-L336 PolarHBondContact O-N 2.99Å; L336-F338 HydrophobicContact CB-CD2 3.77Å; L336-F338 HydrophobicContact CB-CE2 3.9Å; L336-L344 HydrophobicContact CD1-CD1 4.04Å; L336-L344 HydrophobicContact CD1-CD2 4.34Å
337G65.3Low77.7Confident42 Ų4266 Ų6643%0.43334%0.343SS..THydrogen-bonded Turntrans102-2.3179.200000115.6P333P333-G337 PolarHBondContact O-N 3.27Å; P333-G337 VanDerWaalsContact O-N 3.1Å
338F70.1Confident77Confident14 Ų1463.2 Ų63.26%0.06133%0.331CS..  trans-94141.7-178.6-54.4-70.2000112.1P291 I295 P333 K334 L336 E343 L344 A347P291-F338 HydrophobicContact CB-CE1 3.89Å; P291-F338 HydrophobicContact CB-CZ 4.27Å; I295-F338 HydrophobicContact CD1-CE2 3.8Å; I295-F338 HydrophobicContact CD1-CZ 3.86Å; I295-F338 HydrophobicContact CG1-CE2 3.97Å; I295-F338 HydrophobicContact CG1-CZ 4.14Å; P333-F338 CarbonylContact C-O 3.56Å; P333-F338 HydrophobicContact CB-CB 3.97Å; P333-F338 PolarHBondContact O-N 3.44Å; K334-F338 VanDerWaalsContact CA-O 3.24Å; K334-F338 WeakPolarHBondContact CA-O 3.28Å; K334-F338 PolarHBondContact N-O 3.23Å; K334-F338 VanDerWaalsContact N-O 3.16Å; L336-F338 HydrophobicContact CB-CD2 3.77Å; L336-F338 HydrophobicContact CB-CE2 3.9Å; F338-E343 HydrophobicContact CB-CB 4.38Å; F338-E343 HydrophobicContact CB-CG 4.4Å; F338-E343 HydrophobicContact CD1-CG 3.94Å; F338-L344 HydrophobicContact CB-CB 4.32Å; F338-L344 HydrophobicContact CD2-CB 3.94Å; F338-L344 HydrophobicContact CD2-CD1 3.64Å; F338-L344 HydrophobicContact CD2-CG 4.35Å; F338-L344 HydrophobicContact CE2-CD1 3.56Å; F338-L344 HydrophobicContact CG-CB 4.13Å; F338-L344 HydrophobicContact CZ-CD1 4.45Å; F338-A347 HydrophobicContact CE1-CB 3.66Å; F338-A347 HydrophobicContact CZ-CB 3.75Å
339L67.5Low76.4Confident131 Ų13158.1 Ų58.169%0.68632%0.32SS*.SBendtrans-68.5-37-179.1-54.9170.9000111.9K334 E343K334-L339 VanDerWaalsContact CE-O 3.27Å; K334-L339 WeakPolarHBondContact CE-O 3.26Å; L339-E343 WeakPolarHBondContact CA-OE2 3.14Å; L339-E343 WeakPolarHBondContact CB-OE2 3.47Å; L339-E343 WeakPolarHBondContact CG-OE2 3.43Å; L339-E343 PolarHBondContact N-OE2 2.7Å
340N75Confident75.6Confident76 Ų7657.9 Ų57.941%0.40632%0.321SS..SBendtrans-149.7178.7-175.366.763.3000113P333 T342 E343 L344P333-N340 WeakPolarHBondContact CB-O 3.34Å; N340-T342 WeakPolarHBondContact OD1-CA 3.36Å; N340-T342 VanDerWaalsContact OD1-CB 3.28Å; N340-T342 WeakPolarHBondContact OD1-CB 3.38Å; N340-T342 PolarHBondContact OD1-N 3.04Å; N340-E343 PolarHBondContact OD1-N 3.49Å; N340-L344 PolarHBondContact O-N 3.08Å
341V81.4Confident75.6Confident27 Ų2752.8 Ų52.816%0.16430%0.297CS..Hα-helixtrans-71.1-38.5-178.2-166.90000112.3I316 L319 L320 P333 E343 L344 V345I316-V341 HydrophobicContact CG2-CB 3.99Å; I316-V341 HydrophobicContact CG2-CG1 3.86Å; L319-V341 HydrophobicContact CB-CG1 4.42Å; L319-V341 HydrophobicContact CD2-CG1 4.24Å; L320-V341 HydrophobicContact CD1-CG2 3.65Å; L320-V341 HydrophobicContact CD2-CG1 4.08Å; L320-V341 HydrophobicContact CD2-CG2 4.09Å; L320-V341 HydrophobicContact CG-CG1 4.26Å; L320-V341 HydrophobicContact CG-CG2 3.74Å; P333-V341 HydrophobicContact CG-CG2 4.1Å; V341-E343 VanDerWaalsContact C-N 3.27Å; V341-E343 PolarHBondContact O-N 2.9Å; V341-L344 WeakPolarHBondContact O-CB 3.37Å; V341-L344 PolarHBondContact O-N 3.39Å; V341-V345 HydrophobicContact CG1-CG2 4.36Å; V341-V345 WeakPolarHBondContact O-CG2 3.49Å; V341-V345 PolarHBondContact O-N 2.88Å
342T77.8Confident75.6Confident72 Ų7252.6 Ų52.644%0.44230%0.296SS..Hα-helixtrans-60.9-37.7179.8-43.40000111.6I316 N340 V345 G346 L363I316-T342 HydrophobicContact CD1-CG2 4.19Å; N340-T342 WeakPolarHBondContact OD1-CA 3.36Å; N340-T342 VanDerWaalsContact OD1-CB 3.28Å; N340-T342 WeakPolarHBondContact OD1-CB 3.38Å; N340-T342 PolarHBondContact OD1-N 3.04Å; T342-V345 PolarHBondContact O-N 3.48Å; T342-G346 PolarHBondContact O-N 3.42Å; T342-L363 HydrophobicContact CG2-CD1 3.93Å
343E72.3Confident75.5Confident74 Ų7455.6 Ų55.635%0.34631%0.308SS..Hα-helixtrans-68.4-43.5174.9-166.3-171.5162.600112.1F338 L339 N340 V341 V345 G346 A347F338-E343 HydrophobicContact CB-CB 4.38Å; F338-E343 HydrophobicContact CB-CG 4.4Å; F338-E343 HydrophobicContact CD1-CG 3.94Å; L339-E343 WeakPolarHBondContact CA-OE2 3.14Å; L339-E343 WeakPolarHBondContact CB-OE2 3.47Å; L339-E343 WeakPolarHBondContact CG-OE2 3.43Å; L339-E343 PolarHBondContact N-OE2 2.7Å; N340-E343 PolarHBondContact OD1-N 3.49Å; V341-E343 VanDerWaalsContact C-N 3.27Å; V341-E343 PolarHBondContact O-N 2.9Å; E343-V345 VanDerWaalsContact C-N 3.31Å; E343-V345 PolarHBondContact O-N 3.42Å; E343-G346 PolarHBondContact O-N 3.24Å; E343-A347 WeakPolarHBondContact O-CB 3.34Å; E343-A347 PolarHBondContact O-N 2.87Å
344L78.1Confident75.5Confident1 Ų157.8 Ų57.81%0.00532%0.32CS..Hα-helixtrans-60.7-37.7172.7170.864.1000112.2I295 L331 P333 L336 F338 N340 V341 L348I295-L344 HydrophobicContact CD1-CD1 3.6Å; I295-L344 HydrophobicContact CG1-CD1 4.45Å; L331-L344 HydrophobicContact CD1-CD2 4.29Å; L331-L344 HydrophobicContact CD2-CD2 4.09Å; L331-L344 HydrophobicContact CG-CD2 4.19Å; P333-L344 HydrophobicContact CB-CB 4.33Å; P333-L344 HydrophobicContact CB-CD2 4.3Å; P333-L344 HydrophobicContact CG-CD2 3.94Å; L336-L344 HydrophobicContact CD1-CD1 4.04Å; L336-L344 HydrophobicContact CD1-CD2 4.34Å; F338-L344 HydrophobicContact CB-CB 4.32Å; F338-L344 HydrophobicContact CD2-CB 3.94Å; F338-L344 HydrophobicContact CD2-CD1 3.64Å; F338-L344 HydrophobicContact CD2-CG 4.35Å; F338-L344 HydrophobicContact CE2-CD1 3.56Å; F338-L344 HydrophobicContact CG-CB 4.13Å; F338-L344 HydrophobicContact CZ-CD1 4.45Å; N340-L344 PolarHBondContact O-N 3.08Å; V341-L344 WeakPolarHBondContact O-CB 3.37Å; V341-L344 PolarHBondContact O-N 3.39Å; L344-L348 HydrophobicContact CD1-CD1 4.23Å; L344-L348 WeakPolarHBondContact O-CG 3.45Å; L344-L348 PolarHBondContact O-N 2.87Å
345V81.5Confident75.6Confident3 Ų353.2 Ų53.22%0.01830%0.302CS..Hα-helixtrans-71.9-41.9175.5173.70000111I316 L319 V341 T342 E343 A347 L348 L352 V354 V365I316-V345 HydrophobicContact CD1-CB 4.17Å; I316-V345 HydrophobicContact CD1-CG1 4.05Å; I316-V345 HydrophobicContact CD1-CG2 4.29Å; I316-V345 HydrophobicContact CG1-CG2 4.4Å; L319-V345 HydrophobicContact CD2-CG2 3.36Å; V341-V345 HydrophobicContact CG1-CG2 4.36Å; V341-V345 WeakPolarHBondContact O-CG2 3.49Å; V341-V345 PolarHBondContact O-N 2.88Å; T342-V345 PolarHBondContact O-N 3.48Å; E343-V345 VanDerWaalsContact C-N 3.31Å; E343-V345 PolarHBondContact O-N 3.42Å; V345-A347 VanDerWaalsContact C-N 3.26Å; V345-A347 PolarHBondContact O-N 2.98Å; V345-L348 PolarHBondContact O-N 3.13Å; V345-L352 HydrophobicContact CG1-CD1 4.23Å; V345-V354 HydrophobicContact CG1-CG2 3.54Å; V345-V365 HydrophobicContact CG1-CG1 4.1Å; V345-V365 HydrophobicContact CG1-CG2 3.97Å; V345-V365 HydrophobicContact CG2-CG2 4.45Å
346G71.5Confident75.2Confident48 Ų4851.9 Ų51.950%0.49530%0.296SS..Hα-helixtrans-62.7-31.6175.400000113.5T342 E343 L348 S349T342-G346 PolarHBondContact O-N 3.42Å; E343-G346 PolarHBondContact O-N 3.24Å; G346-L348 VanDerWaalsContact C-N 3.26Å; G346-L348 PolarHBondContact O-N 3.03Å; G346-S349 PolarHBondContact O-OG 3Å
347A68.5Low74.7Confident6 Ų656.6 Ų56.65%0.0531%0.31CS..THydrogen-bonded Turntrans-67.7-23171.300000113.7P291 G292 I295 F338 E343 V345P291-A347 HydrophobicContact CB-CB 3.73Å; P291-A347 HydrophobicContact CG-CB 3.92Å; G292-A347 WeakPolarHBondContact CA-O 3.49Å; G292-A347 PolarHBondContact N-O 2.8Å; G292-A347 VanDerWaalsContact N-O 3.12Å; I295-A347 HydrophobicContact CD1-CB 4.29Å; F338-A347 HydrophobicContact CE1-CB 3.66Å; F338-A347 HydrophobicContact CZ-CB 3.75Å; E343-A347 WeakPolarHBondContact O-CB 3.34Å; E343-A347 PolarHBondContact O-N 2.87Å; V345-A347 VanDerWaalsContact C-N 3.26Å; V345-A347 PolarHBondContact O-N 2.98Å
348L76.3Confident73.6Confident1 Ų164.3 Ų64.31%0.00533%0.332CS..THydrogen-bonded Turntrans-101.127.7-176.2-71.1175.4000113I295 K300 I303 L344 V345 G346 D350 I351 L352I295-L348 HydrophobicContact CB-CD2 4.31Å; I295-L348 HydrophobicContact CD1-CD1 4.09Å; I295-L348 HydrophobicContact CD1-CD2 3.48Å; I295-L348 VanDerWaalsContact CD1-CD2 3.48Å; I295-L348 HydrophobicContact CD1-CG 3.63Å; I295-L348 HydrophobicContact CG1-CD2 4.5Å; I295-L348 HydrophobicContact CG2-CD2 4.23Å; K300-L348 HydrophobicContact CD-CD2 3.86Å; K300-L348 HydrophobicContact CG-CD2 3.81Å; I303-L348 HydrophobicContact CB-CD1 4.38Å; I303-L348 HydrophobicContact CD1-CD1 3.64Å; I303-L348 HydrophobicContact CG2-CD1 3.94Å; L344-L348 HydrophobicContact CD1-CD1 4.23Å; L344-L348 WeakPolarHBondContact O-CG 3.45Å; L344-L348 PolarHBondContact O-N 2.87Å; V345-L348 PolarHBondContact O-N 3.13Å; G346-L348 VanDerWaalsContact C-N 3.26Å; G346-L348 PolarHBondContact O-N 3.03Å; L348-D350 PolarHBondContact O-N 2.9Å; L348-D350 VanDerWaalsContact O-N 3.08Å; L348-I351 HydrophobicContact CB-CD1 4.34Å; L348-I351 HydrophobicContact CB-CG1 4.04Å; L348-I351 HydrophobicContact CD1-CD1 4.43Å; L348-I351 HydrophobicContact CD2-CD1 4.11Å; L348-I351 HydrophobicContact CD2-CG1 4.17Å; L348-I351 WeakPolarHBondContact O-CG1 3.5Å; L348-I351 PolarHBondContact O-N 2.82Å; L348-L352 HydrophobicContact CB-CD1 3.8Å; L348-L352 HydrophobicContact CB-CG 4.19Å; L348-L352 HydrophobicContact CD1-CD1 4.22Å; L348-L352 WeakPolarHBondContact O-CB 3.39Å; L348-L352 PolarHBondContact O-N 3.33Å
349S72.5Confident72.6Confident86 Ų8667.3 Ų67.360%0.60137%0.367SS*.THydrogen-bonded Turntrans-61.9-11176.5510000114.7G346G346-S349 PolarHBondContact O-OG 3Å
350D71.3Confident72Confident76 Ų7665.6 Ų65.641%0.40636%0.355SS..THydrogen-bonded Turntrans-79.7-15.5171.471.7-57.7000114K300 L348K300-D350 IonicContact NZ-OD1 3.87Å; K300-D350 PolarHBondContact NZ-OD1 3.27Å; K300-D350 IonicContact NZ-OD2 2.87Å; K300-D350 PolarHBondContact NZ-OD2 2.9Å; L348-D350 PolarHBondContact O-N 2.9Å; L348-D350 VanDerWaalsContact O-N 3.08Å
351I83.6Confident71.3Confident17 Ų1771.8 Ų71.89%0.08738%0.381CS..THydrogen-bonded Turntrans-130.1-14.4178.452.3147.5000114.3K300 K304 L348 A368K300-I351 HydrophobicContact CB-CD1 3.98Å; K300-I351 HydrophobicContact CG-CD1 4.45Å; K300-I351 WeakPolarHBondContact O-CD1 3.49Å; K304-I351 HydrophobicContact CB-CD1 3.99Å; K304-I351 HydrophobicContact CD-CB 4.1Å; K304-I351 HydrophobicContact CD-CG2 4.14Å; K304-I351 HydrophobicContact CG-CB 4.49Å; L348-I351 HydrophobicContact CB-CD1 4.34Å; L348-I351 HydrophobicContact CB-CG1 4.04Å; L348-I351 HydrophobicContact CD1-CD1 4.43Å; L348-I351 HydrophobicContact CD2-CD1 4.11Å; L348-I351 HydrophobicContact CD2-CG1 4.17Å; L348-I351 WeakPolarHBondContact O-CG1 3.5Å; L348-I351 PolarHBondContact O-N 2.82Å; I351-A368 WeakPolarHBondContact O-CB 3.5Å; I351-A368 PolarHBondContact O-N 3.18Å
352L83.8Confident70.9Confident8 Ų872.4 Ų72.44%0.04238%0.384CS..EExtended strand (participates in β ladder)trans-126139.1-176.1-57.6177.7000111.9I303 V307 V345 L348 V365 F366I303-L352 HydrophobicContact CG2-CD1 3.98Å; V307-L352 HydrophobicContact CB-CD2 3.94Å; V307-L352 HydrophobicContact CG1-CD2 4.14Å; V307-L352 HydrophobicContact CG2-CD2 3.75Å; V345-L352 HydrophobicContact CG1-CD1 4.23Å; L348-L352 HydrophobicContact CB-CD1 3.8Å; L348-L352 HydrophobicContact CB-CG 4.19Å; L348-L352 HydrophobicContact CD1-CD1 4.22Å; L348-L352 WeakPolarHBondContact O-CB 3.39Å; L348-L352 PolarHBondContact O-N 3.33Å; L352-V365 HydrophobicContact CB-CG1 3.92Å; L352-V365 HydrophobicContact CD1-CG1 3.91Å; L352-V365 HydrophobicContact CD2-CG1 4Å; L352-V365 HydrophobicContact CG-CG1 4.15Å; L352-F366 CarbonylContact C-O 3.52Å; L352-F366 WeakPolarHBondContact CA-O 3.47Å
353H81.5Confident71Confident89 Ų8971.2 Ų71.241%0.41238%0.375SS..EExtended strand (participates in β ladder)trans-108.1149.7169.1174-109.4000109.6E355 V365 F366H353-E355 VanDerWaalsContact CE1-CG 3.43Å; H353-E355 WeakPolarHBondContact CE1-CG 3.43Å; H353-E355 IonicContact CE1-OE1 3.5Å; H353-V365 CarbonylContact O-C 3.56Å; H353-V365 WeakPolarHBondContact O-CA 3.06Å; H353-F366 HydrophobicContact CB-CB 4.33Å; H353-F366 PolarHBondContact N-O 2.9Å; H353-F366 PolarHBondContact O-N 3.14Å
354V81.1Confident71.6Confident56 Ų5668 Ų6834%0.33936%0.36SS..EExtended strand (participates in β ladder)trans-132.6126.2-176.8-172.40000111.2I316 V345 L363 L364I316-V354 HydrophobicContact CD1-CG1 4.36Å; V345-V354 HydrophobicContact CG1-CG2 3.54Å; V354-L363 HydrophobicContact CG1-CB 3.8Å; V354-L363 HydrophobicContact CG1-CD1 4.35Å; V354-L363 HydrophobicContact CG1-CD2 3.98Å; V354-L363 HydrophobicContact CG1-CG 4.26Å; V354-L364 CarbonylContact C-O 3.59Å; V354-L364 WeakPolarHBondContact CA-O 3.46Å
355E77.1Confident71.9Confident75 Ų7568 Ų6835%0.3536%0.36SS..EExtended strand (participates in β ladder)trans-112.1144.3175.3-60.5-172.5-179.700112.5H353 L364 F366H353-E355 VanDerWaalsContact CE1-CG 3.43Å; H353-E355 WeakPolarHBondContact CE1-CG 3.43Å; H353-E355 IonicContact CE1-OE1 3.5Å; E355-L364 PolarHBondContact N-O 2.8Å; E355-L364 PolarHBondContact O-N 2.74Å; E355-F366 HydrophobicContact CB-CE2 3.94Å; E355-F366 HydrophobicContact CG-CD2 4.13Å; E355-F366 HydrophobicContact CG-CE2 3.72Å
356F70.8Confident72.2Confident132 Ų13268.4 Ų68.458%0.57936%0.361SS*.  trans-103.5108.4168.8-176.9-97.1000110.9K358 H360 L363F356-K358 PolarHBondContact O-N 3.05Å; F356-H360 VanDerWaalsContact CE2-O 3.27Å; F356-H360 WeakPolarHBondContact CE2-O 3.39Å; F356-H360 WeakPolarHBondContact CZ-O 3.39Å; F356-L363 HydrophobicContact CB-CD2 3.88Å; F356-L363 HydrophobicContact CD2-CD2 3.82Å; F356-L363 HydrophobicContact CG-CD2 4.36Å
357R61.9Low73Confident155 Ų15566.8 Ų66.859%0.58534%0.341SS*.  trans-87107.7179.1-159.8176.7-136.81587.3110.1G359 H360 L364R357-G359 PolarHBondContact O-N 2.86Å; R357-H360 PolarHBondContact O-N 2.98Å; R357-L364 HydrophobicContact CB-CD1 4.39Å
358K42.6Very low73.6Confident203 Ų20368.6 Ų68.688%0.88336%0.356SS*.THydrogen-bonded Turntrans-45.2112.6178.7-73.7-177.4177.1178.30111.3F356F356-K358 PolarHBondContact O-N 3.05Å
359G48.1Very low73.7Confident78 Ų7874.7 Ų74.780%0.80439%0.389SS*.THydrogen-bonded Turntrans120.8-20.1-178.500000114.5R357R357-G359 PolarHBondContact O-N 2.86Å
360H56.1Low73.5Confident95 Ų9575.6 Ų75.644%0.4438%0.382SS..  trans-103.3148.9174.6-62.5-82.1000111.6F356 R357F356-H360 VanDerWaalsContact CE2-O 3.27Å; F356-H360 WeakPolarHBondContact CE2-O 3.39Å; F356-H360 WeakPolarHBondContact CZ-O 3.39Å; R357-H360 PolarHBondContact O-N 2.98Å
361Q60.1Low72.5Confident205 Ų20581.2 Ų81.296%0.95840%0.403SS*.SBendtrans-89.3-8.1174.6-68.1-177-8.400113.2
362D73.5Confident70.7Confident41 Ų4183.3 Ų83.322%0.21942%0.418CS..SBendtrans-114148.8-178.7-165.26000110.4F315 I316 S317F315-D362 WeakPolarHBondContact CB-OD2 3.47Å; F315-D362 HydrophobicContact CD1-CB 3.94Å; I316-D362 PolarHBondContact N-OD1 3.07Å; S317-D362 WeakPolarHBondContact CB-OD2 3.21Å; S317-D362 PolarHBondContact N-OD1 3.35Å; S317-D362 PolarHBondContact N-OD2 3.35Å; S317-D362 VanDerWaalsContact N-OD2 3.15Å; S317-D362 PolarHBondContact OG-OD2 2.88Å
363L79.9Confident68.6Low46 Ų4690.7 Ų90.724%0.24146%0.456CS..PPolyproline II helixtrans-92.2145.1-173.4-72.6161000110.6F315 I316 T342 V354 F356F315-L363 CarbonylContact C-O 3.56Å; F315-L363 WeakPolarHBondContact CA-O 3.44Å; I316-L363 HydrophobicContact CB-CB 4.48Å; I316-L363 HydrophobicContact CD1-CB 3.62Å; I316-L363 HydrophobicContact CD1-CD1 3.85Å; I316-L363 HydrophobicContact CD1-CG 4.39Å; I316-L363 HydrophobicContact CG1-CB 3.89Å; I316-L363 PolarHBondContact N-O 2.82Å; T342-L363 HydrophobicContact CG2-CD1 3.93Å; V354-L363 HydrophobicContact CG1-CB 3.8Å; V354-L363 HydrophobicContact CG1-CD1 4.35Å; V354-L363 HydrophobicContact CG1-CD2 3.98Å; V354-L363 HydrophobicContact CG1-CG 4.26Å; F356-L363 HydrophobicContact CB-CD2 3.88Å; F356-L363 HydrophobicContact CD2-CD2 3.82Å; F356-L363 HydrophobicContact CG-CD2 4.36Å
364L84.2Confident66.7Low8 Ų891.4 Ų91.44%0.04247%0.469CS..EExtended strand (participates in β ladder)trans-99.7125.1176.2-73.4168.2000110.4F315 V354 E355 R357 F366F315-L364 HydrophobicContact CD1-CD2 3.75Å; F315-L364 HydrophobicContact CD1-CG 4.32Å; F315-L364 HydrophobicContact CD2-CD2 4.17Å; F315-L364 HydrophobicContact CE1-CD2 3.72Å; F315-L364 HydrophobicContact CE1-CG 4.12Å; F315-L364 HydrophobicContact CE2-CD2 4.14Å; F315-L364 HydrophobicContact CG-CD2 3.99Å; F315-L364 HydrophobicContact CZ-CD2 3.92Å; V354-L364 CarbonylContact C-O 3.59Å; V354-L364 WeakPolarHBondContact CA-O 3.46Å; E355-L364 PolarHBondContact N-O 2.8Å; E355-L364 PolarHBondContact O-N 2.74Å; R357-L364 HydrophobicContact CB-CD1 4.39Å; L364-F366 HydrophobicContact CB-CE2 3.67Å; L364-F366 HydrophobicContact CB-CZ 4.1Å
365V84.7Confident64.7Low0 Ų094.8 Ų94.80%049%0.492CS..EExtended strand (participates in β ladder)trans-100134.6178.3-1670000110.2V307 G313 L314 I316 V345 L352 H353V307-V365 HydrophobicContact CG1-CB 4.4Å; V307-V365 HydrophobicContact CG1-CG1 4.07Å; V307-V365 WeakPolarHBondContact CG1-O 3.29Å; V307-V365 HydrophobicContact CG2-CG1 4.01Å; G313-V365 CarbonylContact C-O 3.57Å; G313-V365 WeakPolarHBondContact CA-O 3.36Å; L314-V365 PolarHBondContact N-O 2.94Å; L314-V365 WeakPolarHBondContact O-CB 3.3Å; L314-V365 WeakPolarHBondContact O-CG2 3.11Å; L314-V365 PolarHBondContact O-N 2.87Å; I316-V365 HydrophobicContact CD1-CG2 4.05Å; I316-V365 HydrophobicContact CG1-CG2 3.3Å; V345-V365 HydrophobicContact CG1-CG1 4.1Å; V345-V365 HydrophobicContact CG1-CG2 3.97Å; V345-V365 HydrophobicContact CG2-CG2 4.45Å; L352-V365 HydrophobicContact CB-CG1 3.92Å; L352-V365 HydrophobicContact CD1-CG1 3.91Å; L352-V365 HydrophobicContact CD2-CG1 4Å; L352-V365 HydrophobicContact CG-CG1 4.15Å; H353-V365 CarbonylContact O-C 3.56Å; H353-V365 WeakPolarHBondContact O-CA 3.06Å
366F87.7Confident62.7Low12 Ų1297.7 Ų97.75%0.05351%0.514CS..EExtended strand (participates in β ladder)trans-123.8153.8178.4-60.9-94.9000110.3V307 G313 L352 H353 E355 L364 A368 P372V307-F366 VanDerWaalsContact CG1-C 3.42Å; G313-F366 VanDerWaalsContact CA-CE1 3.44Å; L352-F366 CarbonylContact C-O 3.52Å; L352-F366 WeakPolarHBondContact CA-O 3.47Å; H353-F366 HydrophobicContact CB-CB 4.33Å; H353-F366 PolarHBondContact N-O 2.9Å; H353-F366 PolarHBondContact O-N 3.14Å; E355-F366 HydrophobicContact CB-CE2 3.94Å; E355-F366 HydrophobicContact CG-CD2 4.13Å; E355-F366 HydrophobicContact CG-CE2 3.72Å; L364-F366 HydrophobicContact CB-CE2 3.67Å; L364-F366 HydrophobicContact CB-CZ 4.1Å; F366-A368 PolarHBondContact O-N 3.13Å; F366-P372 HydrophobicContact CD1-CG 3.82Å; F366-P372 HydrophobicContact CE1-CG 3.79Å; F366-P372 HydrophobicContact CG-CG 4.42Å; F366-P372 HydrophobicContact CZ-CG 4.39Å
367D87Confident61.3Low13 Ų13100.3 Ų100.37%0.0753%0.528CS..EExtended strand (participates in β ladder)trans-70.1122.8168178.5-16.9000108.1K304 S308 D369 K370K304-D367 WeakPolarHBondContact CE-OD1 3.21Å; K304-D367 IonicContact NZ-OD1 2.63Å; S308-D367 WeakPolarHBondContact CB-OD2 3.49Å; D367-D369 PolarHBondContact O-N 2.83Å; D367-D369 VanDerWaalsContact O-N 3.12Å; D367-D369 PolarHBondContact OD1-N 3.38Å; D367-K370 HydrophobicContact CB-CB 4.16Å; D367-K370 HydrophobicContact CB-CD 4.05Å; D367-K370 HydrophobicContact CB-CG 4.01Å; D367-K370 PolarHBondContact O-N 3.21Å; D367-K370 VanDerWaalsContact OD2-CE 3.26Å; D367-K370 WeakPolarHBondContact OD2-CE 3.43Å
368A81.2Confident60.1Low44 Ų4497.2 Ų97.236%0.36453%0.531SS..THydrogen-bonded Turntrans-60.6-24.9-171.800000113.8I351 F366 K370I351-A368 WeakPolarHBondContact O-CB 3.5Å; I351-A368 PolarHBondContact O-N 3.18Å; F366-A368 PolarHBondContact O-N 3.13Å; A368-K370 VanDerWaalsContact C-N 3.32Å
369D79.3Confident59.7Low130 Ų13093.9 Ų93.970%0.69552%0.522SS*.THydrogen-bonded Turntrans-78.7-16.5176.1-63.3-23.7000112.6K304 D367K304-D369 IonicContact NZ-OD1 3.37Å; K304-D369 IonicContact NZ-OD2 3.75Å; K304-D369 PolarHBondContact NZ-OD2 3.17Å; D367-D369 PolarHBondContact O-N 2.83Å; D367-D369 VanDerWaalsContact O-N 3.12Å; D367-D369 PolarHBondContact OD1-N 3.38Å
370K69.1Low59.3Low105 Ų10599.7 Ų99.746%0.45753%0.526SS..SBendtrans-107.578-173-59.3-171.5-172-172.50111.7S308 D367 A368S308-K370 PolarHBondContact O-NZ 3.08Å; D367-K370 HydrophobicContact CB-CB 4.16Å; D367-K370 HydrophobicContact CB-CD 4.05Å; D367-K370 HydrophobicContact CB-CG 4.01Å; D367-K370 PolarHBondContact O-N 3.21Å; D367-K370 VanDerWaalsContact OD2-CE 3.26Å; D367-K370 WeakPolarHBondContact OD2-CE 3.43Å; A368-K370 VanDerWaalsContact C-N 3.32Å
371K50.1Low58.2Low193 Ų193104.4 Ų104.484%0.83955%0.545SS*.PPolyproline II helixtrans-54.8129172.3-81.8-172.5171.8-1780111.8
372P44.6Very low57.2Low62 Ų62102.3 Ų102.340%0.40354%0.538SS..PPolyproline II helixtrans-60.2141.8170.6-24.134.7000112.3F366F366-P372 HydrophobicContact CD1-CG 3.82Å; F366-P372 HydrophobicContact CE1-CG 3.79Å; F366-P372 HydrophobicContact CG-CG 4.42Å; F366-P372 HydrophobicContact CZ-CG 4.39Å
373L41.2Very low55.3Low162 Ų162108.7 Ų108.785%0.84857%0.567SS**PPolyproline II helixtrans-83.6136.7170.7-73.7167000110
374P41.3Very low53.1Low104 Ų104110.7 Ų110.768%0.67559%0.591SS**PPolyproline II helixtrans-68.6137.8175.528.5-33.9000110.8V376P374-V376 PolarHBondContact O-N 3.06Å
375P38.3Very low50.7Low127 Ų127120 Ų12083%0.82563%0.631SS**PPolyproline II helixtrans-74117.1-175.428.6-34.3000111.9
376V35Very low48.2Very low136 Ų136124.5 Ų124.582%0.82467%0.668SS**  trans-82.1114.2171.3179.10000109.1P374P374-V376 PolarHBondContact O-N 3.06Å
377Q40.7Very low45.5Very low187 Ų187129.4 Ų129.487%0.87470%0.702SS**  trans-80.2136.1165.5-67.2-175.9-600109.5
378S36.9Very low42.9Very low91 Ų91135.2 Ų135.264%0.63674%0.738SS**  trans-104.7160.4-177.471.90000113.5
379D35.2Very low40.4Very low132 Ų132138.3 Ų138.371%0.70676%0.757SS**  trans66.496156-51.5-52.1000119.8
380K38.6Very low38.2Very low201 Ų201137.6 Ų137.687%0.87476%0.762SS**  -173103.495.4-93.8151.2-169.9170.80115.1
381K34.2Very low36.6Very low194 Ų194138.3 Ų138.384%0.84378%0.777SS**  trans24.1118.9134.5-170.3-174.7-177-178.20119.5
382I38.3Very low35.9Very low160 Ų160134.9 Ų134.982%0.82178%0.775SS**  -170.5161.2125-96.3157.5000110.8
383E34.2Very low35.4Very low175 Ų175142.8 Ų142.882%0.81880%0.797SS**  trans-75.5134.7-145.5-65.4162121.600120.7
384A32.4Very low34.8Very low89 Ų89141.7 Ų141.774%0.73679%0.792SS**  40.9122.7124.300000123.1
385K35.6Very low34.2Very low203 Ų203141.6 Ų141.688%0.88379%0.794SS**  -180146.697.6-98.4176.9-178.9177.10113.5
386A31.3Very low33.8Very low95 Ų95143.6 Ų143.679%0.78580%0.796SS**  trans62.7144.4161.700000118.3
387C30.8Very low33.6Very low115 Ų115143.2 Ų143.278%0.77780%0.8SS**  cis-154.6148.7-9.1-120.70000112.5
388V33.4Very low32.9Very low135 Ų135141.4 Ų141.482%0.81880%0.802SS**  trans46.4105.2157.4-169.80000118.7
389S28.6Very low32.7Very low109 Ų109142 Ų14276%0.76281%0.812SS**  trans-104.7160.2146.659.20000110
390S33.6Very low32.4Very low114 Ų114140.2 Ų140.280%0.79782%0.816SS**  trans-161.5152156.9-86.10000113.2
391P35Very low32.1Very low120 Ų120136.8 Ų136.878%0.77981%0.812SS**  trans-121.4174.6-158.118.17.8000114.7
392P34.5Very low32Very low121 Ų121136.9 Ų136.979%0.78681%0.812SS**  trans-88.8149.9-17834.7-35.8000114.6
393R33.8Very low31.4Very low228 Ų228137.3 Ų137.386%0.8681%0.81SS**  trans-164.1124.6153.9-135.1177.1-85.8-163.2-4.8115.8
394N29.4Very low31.2Very low139 Ų139136.2 Ų136.274%0.74382%0.816SS**  trans56.2153.5141.3-65.911.4000125.5
395S29Very low31Very low103 Ų103135.7 Ų135.772%0.7280%0.803SS**  trans75.3105.6145.342.10000121.7
396L28.5Very low30.7Very low168 Ų168138.4 Ų138.488%0.8881%0.808SS**  41.7113.3123.6-66166.1000119.2
397S32.6Very low30.6Very low129 Ų129140.5 Ų140.590%0.90281%0.806SS**  trans-158.2142.4140.9-83.80000111.4
398T25.7Very low30.3Very low149 Ų149139.8 Ų139.891%0.91480%0.801SS**  trans-93.6132.4-176.6-54.90000111.2
399A32.9Very low30.1Very low102 Ų102139.3 Ų139.384%0.84380%0.801SS**  trans-146.1131.7159.900000109.3
400A27.6Very low30Very low96 Ų96138.9 Ų138.979%0.79380%0.798SS**  trans-99.4158.7-178.600000111.5
401V32.5Very low29.8Very low129 Ų129142.9 Ų142.978%0.78280%0.801SS**  trans-154.7124.4146.7124.10000112.1
402K31.5Very low29.5Very low196 Ų196147 Ų14785%0.85281%0.807SS**  trans58.8107.3155-62.8176.8-177.4179.10119.8
403E27.2Very low29.2Very low169 Ų169150.3 Ų150.379%0.7981%0.812SS**  trans-63.9160.6154.3-55.3158.810800112V405E403-V405 HydrophobicContact CB-CG2 4.38Å
404T29.5Very low29Very low151 Ų151149.7 Ų149.793%0.92682%0.815SS**  trans-133.5138.8138.719.20000108.4
405V28.8Very low29Very low79 Ų79151.7 Ų151.748%0.47982%0.82SS.*  trans-106.7137.6-162.7174.30000111.4E403 N407E403-V405 HydrophobicContact CB-CG2 4.38Å; V405-N407 WeakPolarHBondContact CG1-ND2 3.43Å
406W29.4Very low28.9Very low260 Ų260152.2 Ų152.299%0.98582%0.821SS**  trans-137.5135.1147.6-96.2102.8000110.6
407N29.1Very low28.8Very low138 Ų138153.3 Ų153.374%0.73882%0.822SS**  trans-98.2151.2-163.6-83.1-53.3000114.3V405V405-N407 WeakPolarHBondContact CG1-ND2 3.43Å
408C24.7Very low28.5Very low100 Ų100156.1 Ų156.168%0.67682%0.821SS**  trans-72165169.2-1680000111.4S410C408-S410 PolarHBondContact SG-N 3.39Å; C408-S410 VanDerWaalsContact SG-N 3.38Å
409P28.7Very low28.6Very low125 Ų125158.6 Ų158.681%0.81282%0.819SS**  -145.4122.2115.134.5-19000115.9
410S25.6Very low28.3Very low101 Ų101160.5 Ų160.571%0.70681%0.813SS**  trans-77.1118.6164.2-58.50000111.4C408C408-S410 PolarHBondContact SG-N 3.39Å; C408-S410 VanDerWaalsContact SG-N 3.38Å
411K29.9Very low28.2Very low198 Ų198161.9 Ų161.986%0.86182%0.816SS**  trans-173.3101.7158.6-109.8155.5-172.8173.10115
412K29.2Very low27.9Very low207 Ų207164.7 Ų164.790%0.982%0.818SS**  158.6150116.6-87.3171.7179.4178.30112.3
413Q27.2Very low27.6Very low190 Ų190163.8 Ų163.889%0.88881%0.813SS**  trans-80.7148.3176.8-61.2155.5-69.600111.6
414K29.4Very low27.7Very low214 Ų214161 Ų16193%0.9381%0.81SS**  trans-151.2158.5134.4-111.4178.1-177.4-174.80109.6
415E29Very low27.5Very low182 Ų182160.2 Ų160.285%0.8580%0.8SS**  trans-93.9-179.6-158.9-111.7-166.5134.800114.1
416P27.1Very low27.5Very low114 Ų114163.5 Ų163.574%0.7481%0.814SS**  trans-88.4146.6-136.436.2-36.9000113.5
417Q26.9Very low27.3Very low191 Ų191156.8 Ų156.889%0.89380%0.802SS**  trans-133.2144.1165.1-70.4-165.9-1200112.1K419Q417-K419 PolarHBondContact O-N 2.91Å
418Q26.8Very low27.4Very low187 Ų187155.4 Ų155.487%0.87480%0.798SS**  trans-65.2107.8-168-63.8158-11.600111.3I420Q418-I420 PolarHBondContact O-N 3.46Å
419K28.7Very low27.5Very low201 Ų201159.2 Ų159.287%0.87480%0.803SS**  trans-79.3102.2159.6-83.7-168.4173.5-177.20108.8Q417 C421Q417-K419 PolarHBondContact O-N 2.91Å; K419-C421 PolarHBondContact O-N 3.37Å
420I25.4Very low27.5Very low142 Ų142157.9 Ų157.973%0.72879%0.794SS**  trans-55.5107171.7-62.3164.3000108.3Q418 K422Q418-I420 PolarHBondContact O-N 3.46Å; I420-K422 PolarHBondContact O-N 3.36Å
421C25.6Very low27.6Very low125 Ų125161.2 Ų161.285%0.84580%0.803SS**  trans-62.7104.6158.4-71.40000106.6K419 K423K419-C421 PolarHBondContact O-N 3.37Å; C421-K423 PolarHBondContact O-N 2.77Å
422K26.8Very low27.5Very low189 Ų189159 Ų15982%0.82280%0.796SS**  trans-56.6124.9172.7-66.7-178.1179.7-179.60107.1I420I420-K422 PolarHBondContact O-N 3.36Å
423K25.5Very low27.5Very low176 Ų176155.9 Ų155.977%0.76579%0.789SS**  trans-46.2131.5164.8-103-176.3172.3-1770107.6C421 N425C421-K423 PolarHBondContact O-N 2.77Å; K423-N425 PolarHBondContact O-N 2.95Å
424P28.5Very low27.5Very low111 Ų111153.7 Ų153.772%0.72178%0.779SS**  trans-59.3111.315427.1-30.3000105.4L426P424-L426 PolarHBondContact O-N 3.3Å
425N25.1Very low27.5Very low135 Ų135148.3 Ų148.372%0.72276%0.763SS**  trans-70.487168-76.8-23.4000105.7K423 V427K423-N425 PolarHBondContact O-N 2.95Å; N425-V427 HydrophobicContact CB-CG2 4.43Å; N425-V427 PolarHBondContact O-N 3.04Å
426L30.1Very low27.3Very low148 Ų148146 Ų14678%0.77575%0.752SS**  trans-64.485.9167.5-114.4167.6000106.6P424 V428P424-L426 PolarHBondContact O-N 3.3Å; L426-V428 HydrophobicContact CD2-CG2 4.21Å; L426-V428 PolarHBondContact O-N 3.05Å
427V24.9Very low27.5Very low118 Ų118146.8 Ų146.872%0.71576%0.755SS**  trans-73.370.2168.4-173.60000106.7N425 K429N425-V427 HydrophobicContact CB-CG2 4.43Å; N425-V427 PolarHBondContact O-N 3.04Å; V427-K429 PolarHBondContact O-N 3.34Å
428V29.8Very low27.6Very low109 Ų109142.7 Ų142.766%0.66174%0.739SS**  trans-57.199.4149.9-178.40000104L426 P430L426-V428 HydrophobicContact CD2-CG2 4.21Å; L426-V428 PolarHBondContact O-N 3.05Å; V428-P430 VanDerWaalsContact O-CD 3.23Å; V428-P430 WeakPolarHBondContact O-CD 3.28Å; V428-P430 VanDerWaalsContact O-N 3.08Å
429K27.6Very low27.9Very low180 Ų180144.2 Ų144.278%0.78374%0.743SS**  trans-52.6119.4163-78.2-178.2178174.90104.9V427 L431V427-K429 PolarHBondContact O-N 3.34Å; K429-L431 PolarHBondContact O-N 2.89Å
430P27.5Very low28.3Very low97 Ų97138 Ų13863%0.6373%0.725SS**  trans-55.1135.8163.8-16.730.3000105.9V428 Q432V428-P430 VanDerWaalsContact O-CD 3.23Å; V428-P430 WeakPolarHBondContact O-CD 3.28Å; V428-P430 VanDerWaalsContact O-N 3.08Å; P430-Q432 HydrophobicContact CB-CB 4.4Å; P430-Q432 PolarHBondContact O-N 3.23Å
431L28.6Very low28.7Very low171 Ų171139.5 Ų139.590%0.89573%0.729SS**  trans-6587.2149.3-83.5169.1000104.6K429 L433K429-L431 PolarHBondContact O-N 2.89Å; L431-L433 PolarHBondContact O-N 2.63Å
432Q27.2Very low29.3Very low151 Ų151141.1 Ų141.171%0.70673%0.728SS**  trans-71.686.1-177.7-174.7166.9-7.900106P430 Q434P430-Q432 HydrophobicContact CB-CB 4.4Å; P430-Q432 PolarHBondContact O-N 3.23Å; Q432-Q434 PolarHBondContact O-N 3.27Å
433L29.2Very low29.5Very low143 Ų143138.3 Ų138.375%0.74972%0.722SS**  trans-48.7109.8161.2-110.777.3000105.7L431 V435L431-L433 PolarHBondContact O-N 2.63Å; L433-V435 HydrophobicContact CB-CG2 4.21Å; L433-V435 PolarHBondContact O-N 2.77Å
434Q27.6Very low30.3Very low144 Ų144136.8 Ų136.867%0.67372%0.722SS**  trans-66.188.1163.3-75.2-78.53400105.6Q432 E436Q432-Q434 PolarHBondContact O-N 3.27Å; Q434-E436 HydrophobicContact CB-CG 4.48Å; Q434-E436 PolarHBondContact O-N 2.66Å
435V29.6Very low30.7Very low100 Ų100135.8 Ų135.861%0.60672%0.723SS**  trans-73.259.8163-170.20000107.1L433 T437L433-V435 HydrophobicContact CB-CG2 4.21Å; L433-V435 PolarHBondContact O-N 2.77Å; V435-T437 HydrophobicContact CG1-CG2 4.43Å; V435-T437 PolarHBondContact O-N 3.03Å
436E25.9Very low31.1Very low133 Ų133137.1 Ų137.162%0.62173%0.727SS**  trans-61.4119.6156.6-76.6-168.8137.800105.7Q434 N438Q434-E436 HydrophobicContact CB-CG 4.48Å; Q434-E436 PolarHBondContact O-N 2.66Å; E436-N438 PolarHBondContact O-N 3.14Å
437T29.2Very low31.7Very low131 Ų131133.1 Ų133.180%0.80472%0.715SS**  trans-76.852.6-169.1400000112.2V435 K439V435-T437 HydrophobicContact CG1-CG2 4.43Å; V435-T437 PolarHBondContact O-N 3.03Å; T437-K439 PolarHBondContact O-N 2.94Å
438N29.6Very low32.7Very low105 Ų105134.5 Ų134.556%0.56172%0.718SS**  trans-62.5114.6171.8-76.4-48.1000108.7E436 S440E436-N438 PolarHBondContact O-N 3.14Å; N438-S440 PolarHBondContact O-N 3.43Å; N438-S440 PolarHBondContact O-OG 2.82Å
439K34.1Very low34.1Very low220 Ų220134.7 Ų134.796%0.95771%0.712SS**THydrogen-bonded Turntrans-78.440.6-162.1-155.7172.8-177.4176.90112.9T437T437-K439 PolarHBondContact O-N 2.94Å
440S35.5Very low36.4Very low70 Ų70133.5 Ų133.549%0.4971%0.714SS.*THydrogen-bonded Turntrans-126.6-12.9-164.544.60000114.4N438 L442 N443N438-S440 PolarHBondContact O-N 3.43Å; N438-S440 PolarHBondContact O-OG 2.82Å; S440-L442 PolarHBondContact O-N 2.7Å; S440-L442 VanDerWaalsContact O-N 3.1Å; S440-N443 PolarHBondContact O-N 2.96Å
441E34.6Very low39.1Very low174 Ų174131.8 Ų131.881%0.81370%0.699SS**G310 helixtrans-65-12.1-178.8-68.4-171.7122.700114.6N443E441-N443 VanDerWaalsContact C-N 3.27Å; E441-N443 PolarHBondContact O-N 2.97Å
442L37.3Very low42Very low158 Ų158124.5 Ų124.583%0.82766%0.662SS**G310 helixtrans-76.8-7174.8-76.8166.2000114.4S440S440-L442 PolarHBondContact O-N 2.7Å; S440-L442 VanDerWaalsContact O-N 3.1Å
443N33Very low44.9Very low130 Ų130124.1 Ų124.170%0.69567%0.672SS**G310 helixtrans-98.30.8-174.5-70.5-12.6000115.1S440 E441S440-N443 PolarHBondContact O-N 2.96Å; E441-N443 VanDerWaalsContact C-N 3.27Å; E441-N443 PolarHBondContact O-N 2.97Å
444L41.8Very low47.8Very low145 Ų145119.2 Ų119.276%0.75965%0.647SS**SBendtrans-88.4-6176.9-162.957.8000113.3M446L444-M446 PolarHBondContact O-N 3.32Å
445A35.8Very low50.9Low90 Ų90113 Ų11374%0.74462%0.62SS**THydrogen-bonded Turntrans-7733.1-179.600000114.4
446M34.3Very low53.7Low162 Ų162108.5 Ų108.580%0.79859%0.593SS**THydrogen-bonded Turntrans-129.38.5-172.2-69.2-169.567.500115.1L444L444-M446 PolarHBondContact O-N 3.32Å
447A42.8Very low56.3Low64 Ų64104.4 Ų104.453%0.52958%0.578SS.*  trans-91.5102.9162.600000108.9H449A447-H449 PolarHBondContact O-N 3.23Å
448N45.1Very low58.8Low147 Ų147103.8 Ų103.879%0.78657%0.57SS**  trans-71.474.5176.2-72-6.8000110.7
449H59.5Low61.3Low113 Ų113104 Ų10452%0.52357%0.565SS.*  trans-88.2103.3163.1-65.8-60.3000107.9A447 I451 P522A447-H449 PolarHBondContact O-N 3.23Å; H449-I451 PolarHBondContact O-N 2.95Å; H449-P522 HydrophobicContact CB-CG 4.3Å
450D76.1Confident63.8Low155 Ų15598.7 Ų98.783%0.82954%0.543SS*.  trans-69.779.6174.8-68.9-34.7000110.1P452D450-P452 WeakPolarHBondContact O-CD 3.27Å
451I84.8Confident66.4Low61 Ų6195.4 Ų95.431%0.31352%0.52SS..  trans-58.2125.4174.6-60.7173.7000107.8H449 A455 F525 F576H449-I451 PolarHBondContact O-N 2.95Å; I451-A455 HydrophobicContact CG2-CB 3.81Å; I451-F525 HydrophobicContact CD1-CE1 4.2Å; I451-F525 HydrophobicContact CD1-CE2 3.65Å; I451-F525 HydrophobicContact CD1-CZ 3.39Å; I451-F576 HydrophobicContact CD1-CZ 4.21Å; I451-F576 HydrophobicContact CG1-CE2 4.19Å; I451-F576 HydrophobicContact CG1-CZ 4.4Å; I451-F576 HydrophobicContact CG2-CD2 4.48Å; I451-F576 HydrophobicContact CG2-CE2 4.19Å; I451-F576 HydrophobicContact CG2-CZ 4.45Å
452P88.6Confident69.2Low18 Ų1889 Ų8912%0.11749%0.494CS..  trans-55.4138.5180-27.835.5000111.7D450 D454 A455 R518 Y519D450-P452 WeakPolarHBondContact O-CD 3.27Å; P452-D454 PolarHBondContact O-N 2.94Å; P452-A455 HydrophobicContact CB-CB 4.2Å; P452-A455 WeakPolarHBondContact O-CB 3.37Å; P452-A455 PolarHBondContact O-N 3.19Å; P452-R518 WeakPolarHBondContact CD-O 3.15Å; P452-R518 VanDerWaalsContact CG-O 3.22Å; P452-R518 WeakPolarHBondContact CG-O 3.33Å; P452-Y519 HydrophobicContact CB-CD1 4.21Å; P452-Y519 HydrophobicContact CB-CE1 3.49Å; P452-Y519 VanDerWaalsContact CB-CE1 3.49Å; P452-Y519 HydrophobicContact CG-CD1 3.86Å; P452-Y519 HydrophobicContact CG-CE1 3.62Å; P452-Y519 HydrophobicContact CG-CE2 4.33Å; P452-Y519 HydrophobicContact CG-CG 4.3Å
453P88.2Confident71.6Confident143 Ų14385.2 Ų85.293%0.92947%0.468SS*.THydrogen-bonded Turntrans-67.5-13-172.527.6-36.3000113.9
454D91.3Very high74.3Confident41 Ų4180.9 Ų80.922%0.21945%0.445CS..THydrogen-bonded Turntrans-102.70.9173.677.6-37.6000113.4P452 Y519 K578 C579P452-D454 PolarHBondContact O-N 2.94Å; D454-Y519 WeakPolarHBondContact OD1-CE1 3.29Å; D454-Y519 PolarHBondContact OD1-OH 3.2Å; D454-Y519 PolarHBondContact OD2-OH 3.04Å; D454-K578 CarbonylContact O-C 3.51Å; D454-K578 WeakPolarHBondContact O-CA 3.49Å; D454-K578 IonicContact OD1-NZ 2.78Å; D454-K578 WeakPolarHBondContact OD2-CE 3.35Å; D454-K578 WeakPolarHBondContact OD2-CG 3.29Å; D454-K578 IonicContact OD2-NZ 3.94Å; D454-K578 PolarHBondContact OD2-NZ 2.98Å; D454-C579 WeakPolarHBondContact O-CB 3.43Å; D454-C579 PolarHBondContact O-N 3.07Å
455A92.3Very high76.5Confident12 Ų1277.1 Ų77.110%0.09943%0.429CS..EExtended strand (participates in β ladder)trans-69150.617200000111.2I451 P452 P457 Y519 F576I451-A455 HydrophobicContact CG2-CB 3.81Å; P452-A455 HydrophobicContact CB-CB 4.2Å; P452-A455 WeakPolarHBondContact O-CB 3.37Å; P452-A455 PolarHBondContact O-N 3.19Å; A455-P457 VanDerWaalsContact O-CD 3.26Å; A455-P457 WeakPolarHBondContact O-CD 3.42Å; A455-Y519 HydrophobicContact CB-CD1 4.13Å; A455-Y519 HydrophobicContact CB-CE1 4.08Å; A455-F576 HydrophobicContact CB-CB 3.88Å; A455-F576 HydrophobicContact CB-CG 4.24Å
456V88.5Confident79.1Confident6 Ų677.6 Ų77.64%0.03643%0.425CS..EExtended strand (participates in β ladder)trans-102107.5175173.10000109.4K459 L577 C579 T582V456-K459 HydrophobicContact CG1-CB 3.54Å; V456-L577 VanDerWaalsContact CB-O 3.23Å; V456-L577 WeakPolarHBondContact CB-O 3.17Å; V456-L577 VanDerWaalsContact CG2-O 3.27Å; V456-L577 WeakPolarHBondContact CG2-O 3.06Å; V456-L577 PolarHBondContact N-O 3.25Å; V456-C579 HydrophobicContact CG2-CB 3.86Å; V456-T582 HydrophobicContact CG2-CG2 3.81Å
457P80.8Confident81.7Confident48 Ų4871.3 Ų71.331%0.31239%0.394SS..SBendtrans-81.2-55.7169.529.6-31.8000111A455 F525 F576A455-P457 VanDerWaalsContact O-CD 3.26Å; A455-P457 WeakPolarHBondContact O-CD 3.42Å; P457-F525 HydrophobicContact CB-CD1 4.38Å; P457-F525 HydrophobicContact CB-CE1 3.96Å; P457-F576 HydrophobicContact CB-CE1 4.5Å
458N80.4Confident83.8Confident118 Ų11873.2 Ų73.263%0.63140%0.396SS*.SBendtrans-123.37.6-162.4-62.45.8000114.9
459K82.6Confident85.7Confident108 Ų10870.6 Ų70.647%0.4739%0.385SS..PPolyproline II helixtrans-80.9126.3-178.1-167.2-168.9168-174.10110.8V456 T582V456-K459 HydrophobicContact CG1-CB 3.54Å; K459-T582 HydrophobicContact CD-CG2 4.44Å; K459-T582 PolarHBondContact NZ-OG1 3.08Å
460K86.9Confident86.6Confident110 Ų11069 Ų6948%0.47839%0.386SS..PPolyproline II helixtrans-73.4153.2170.7-67.1-171.2175.3-168.80111.7T680K460-T680 HydrophobicContact CB-CG2 4.03Å; K460-T680 HydrophobicContact CD-CG2 4.15Å
461L91Very high86.8Confident1 Ų163.1 Ų63.11%0.00536%0.357CS..PPolyproline II helixtrans-86.6139.8173.4-171.457.7000110L531 P561 L584 A586 T679 T680L461-L531 HydrophobicContact CB-CD1 4.39Å; L461-L531 HydrophobicContact CB-CD2 4.08Å; L461-L531 HydrophobicContact CD2-CD1 4.33Å; L461-P561 HydrophobicContact CD2-CB 3.92Å; L461-P561 HydrophobicContact CD2-CG 3.85Å; L461-L584 WeakPolarHBondContact CD1-O 3.45Å; L461-A586 HydrophobicContact CD2-CB 3.76Å; L461-A586 HydrophobicContact CG-CB 4.08Å; L461-T679 HydrophobicContact CB-CG2 4.4Å; L461-T679 CarbonylContact O-C 3.6Å; L461-T679 WeakPolarHBondContact O-CA 3.19Å; L461-T679 WeakPolarHBondContact O-CB 3.41Å; L461-T680 PolarHBondContact O-N 3.04Å; L461-T680 PolarHBondContact O-OG1 2.81Å
462C91.6Very high86.6Confident40 Ų4061.3 Ų61.327%0.2735%0.348SS..BIsolated β-bridgetrans-81.1151.4175.5-56.10000111P585 A586C462-P585 CarbonylContact O-C 3.44Å; C462-P585 WeakPolarHBondContact O-CA 3.29Å; C462-P585 WeakPolarHBondContact O-CB 3.49Å; C462-A586 PolarHBondContact O-N 2.84Å
463R89Confident86.5Confident77 Ų7761.4 Ų61.429%0.29135%0.348SS..BIsolated β-bridgetrans-79.5160.3167.9-65.1177.7-131.4160.25.8111.9L675 T679 T680R463-L675 HydrophobicContact CG-CD2 4.33Å; R463-L675 HydrophobicContact CG-CG 4.35Å; R463-T679 WeakPolarHBondContact CD-OG1 3.45Å; R463-T679 WeakPolarHBondContact CG-OG1 3.29Å; R463-T679 PolarHBondContact NE-OG1 3.36Å; R463-T679 PolarHBondContact NH2-O 2.94Å; R463-T680 PolarHBondContact N-O 3.41Å
464L89.7Confident86.3Confident39 Ų3954.9 Ų54.920%0.20431%0.306CS..PPolyproline II helixtrans-57.2148.7157.8-73.3168.9000110.3I490 P585 I589L464-I490 HydrophobicContact CD1-CD1 4.27Å; L464-P585 HydrophobicContact CD2-CB 4.17Å; L464-P585 HydrophobicContact CD2-CG 4.3Å; L464-P585 HydrophobicContact CG-CB 4.27Å; L464-I589 HydrophobicContact CD1-CD1 4Å; L464-I589 HydrophobicContact CD1-CG1 4.05Å
465P88.1Confident86.3Confident66 Ų6652.9 Ų52.943%0.42930%0.296SS..PPolyproline II helixtrans-63.2153.8172.528.7-35.2000110.8
466P89.7Confident86.2Confident101 Ų10153 Ų5366%0.65629%0.294SS*.PPolyproline II helixtrans-57.7141170.5-21.333.2000111.3Y627P466-Y627 HydrophobicContact CB-CD2 4.35Å; P466-Y627 HydrophobicContact CB-CE2 4.16Å
467L89.3Confident86.5Confident30 Ų3053.6 Ų53.616%0.15730%0.297CS..PPolyproline II helixtrans-86.8146176.2-56.5175.5000111.1I473 I490 I589 V624 Y627 L632L467-I473 HydrophobicContact CD1-CD1 3.7Å; L467-I473 HydrophobicContact CD1-CG2 4.37Å; L467-I490 HydrophobicContact CD1-CD1 4.17Å; L467-I490 HydrophobicContact CD2-CD1 4.03Å; L467-I589 HydrophobicContact CD1-CD1 4.23Å; L467-V624 HydrophobicContact CB-CG1 4.45Å; L467-V624 HydrophobicContact CB-CG2 3.86Å; L467-V624 HydrophobicContact CD1-CG2 4.11Å; L467-Y627 HydrophobicContact CB-CE2 4.19Å; L467-Y627 PolarHBondContact N-OH 3.02Å; L467-L632 HydrophobicContact CD1-CD2 4.25Å
468D86.7Confident87Confident104 Ų10453.2 Ų53.256%0.55629%0.291SS*.PPolyproline II helixtrans-65.6135-179.6-70.2-44.6000112.3S471 V624D468-S471 WeakPolarHBondContact O-CB 3.48Å; D468-S471 PolarHBondContact O-N 3.41Å; D468-S471 VanDerWaalsContact O-N 3.08Å; D468-S471 PolarHBondContact O-OG 2.88Å; D468-V624 WeakPolarHBondContact O-CB 3.48Å; D468-V624 WeakPolarHBondContact O-CG1 3.44Å
469T85.4Confident87.6Confident92 Ų9249.9 Ų49.956%0.56427%0.27SS*.THydrogen-bonded Turntrans-54.5138.7171.5-79.40000111.3S471 D625T469-S471 PolarHBondContact O-N 3.43Å; T469-D625 WeakPolarHBondContact CB-O 3.23Å; T469-D625 VanDerWaalsContact CG2-O 3.24Å; T469-D625 WeakPolarHBondContact CG2-O 3.27Å; T469-D625 PolarHBondContact OG1-O 2.69Å
470S77.8Confident88.1Confident78 Ų7846.1 Ų46.155%0.54526%0.255SS..THydrogen-bonded Turntrans65.29.3-173.1-54.30000116V624S470-V624 WeakPolarHBondContact CA-O 3.45Å; S470-V624 PolarHBondContact N-O 3.27Å
471S79.7Confident88.4Confident32 Ų3243.6 Ų43.622%0.22425%0.247CC..  trans-70.6140.5171.162.40000112.2D468 T469 V623 V624D468-S471 WeakPolarHBondContact O-CB 3.48Å; D468-S471 PolarHBondContact O-N 3.41Å; D468-S471 VanDerWaalsContact O-N 3.08Å; D468-S471 PolarHBondContact O-OG 2.88Å; T469-S471 PolarHBondContact O-N 3.43Å; S471-V623 WeakPolarHBondContact O-CA 3.32Å; S471-V624 PolarHBondContact O-N 3.02Å; S471-V624 WeakPolarHBondContact OG-CG2 3.4Å
472L82.2Confident88.6Confident24 Ų2444.2 Ų44.213%0.12625%0.251CS..EExtended strand (participates in β ladder)trans-87.4131.1167.7-88168.6000109.4V285 I286 I289 V621 G622 V623 L963V285-L472 HydrophobicContact CG1-CD1 3.95Å; V285-L472 HydrophobicContact CG1-CG 4.09Å; I286-L472 HydrophobicContact CG1-CD2 4.22Å; I289-L472 HydrophobicContact CB-CD1 3.75Å; I289-L472 HydrophobicContact CD1-CD1 3.91Å; I289-L472 HydrophobicContact CG1-CD1 4.35Å; I289-L472 HydrophobicContact CG2-CD1 3.8Å; L472-V621 HydrophobicContact CD2-CG1 3.37Å; L472-G622 WeakPolarHBondContact CA-O 3.48Å; L472-V623 HydrophobicContact CD2-CG2 3.44Å; L472-V623 VanDerWaalsContact CD2-CG2 3.44Å; L472-V623 HydrophobicContact CG-CG2 4.07Å; L472-L963 HydrophobicContact CB-CD2 4.18Å
473I84.5Confident88.8Confident19 Ų1942.3 Ų42.310%0.09724%0.238CC..EExtended strand (participates in β ladder)trans-133.5141.817952.5172.5000111.1L467 V475 I488 G622 V624 I634L467-I473 HydrophobicContact CD1-CD1 3.7Å; L467-I473 HydrophobicContact CD1-CG2 4.37Å; I473-V475 HydrophobicContact CB-CG1 4.28Å; I473-V475 HydrophobicContact CD1-CG1 3.54Å; I473-V475 HydrophobicContact CG1-CG1 3.68Å; I473-I488 HydrophobicContact CD1-CD1 4.37Å; I473-G622 PolarHBondContact N-O 2.91Å; I473-G622 PolarHBondContact O-N 2.7Å; I473-V624 HydrophobicContact CD1-CG2 3.99Å; I473-V624 HydrophobicContact CG1-CG2 4.45Å; I473-I634 HydrophobicContact CD1-CD1 3.93Å
474G86Confident89Confident6 Ų639.5 Ų39.56%0.06223%0.23CC..EExtended strand (participates in β ladder)trans-74.8136.7161.400000109.3Y491 L620G474-Y491 PolarHBondContact O-N 3.15Å; G474-L620 WeakPolarHBondContact CA-O 3.32Å
475V91Very high89.2Confident0 Ų039 Ų390%023%0.226CC..EExtended strand (participates in β ladder)trans-141.1149.6-179.1-56.10000112.6I473 I488 R489 L620 I634 L636I473-V475 HydrophobicContact CB-CG1 4.28Å; I473-V475 HydrophobicContact CD1-CG1 3.54Å; I473-V475 HydrophobicContact CG1-CG1 3.68Å; V475-I488 HydrophobicContact CB-CB 4.46Å; V475-I488 HydrophobicContact CB-CD1 4.44Å; V475-I488 HydrophobicContact CG1-CD1 3.86Å; V475-R489 WeakPolarHBondContact CA-O 3.15Å; V475-L620 HydrophobicContact CG2-CB 3.89Å; V475-L620 PolarHBondContact N-O 3.11Å; V475-L620 PolarHBondContact O-N 3.33Å; V475-I634 HydrophobicContact CG1-CD1 4.36Å; V475-L636 HydrophobicContact CG2-CD2 3.84Å
476F90.4Very high89.6Confident15 Ų1535.8 Ų35.87%0.06621%0.206CC..EExtended strand (participates in β ladder)trans-105.5146.9154.9-71.7-71.2000109I488 R489 Y491 K618 P619 P949F476-I488 CarbonylContact O-C 3.57Å; F476-I488 WeakPolarHBondContact O-CA 3.38Å; F476-I488 WeakPolarHBondContact O-CB 3.26Å; F476-R489 PolarHBondContact N-O 3.49Å; F476-R489 PolarHBondContact O-N 3.09Å; F476-Y491 HydrophobicContact CD2-CD2 4.22Å; F476-Y491 HydrophobicContact CD2-CG 4.29Å; F476-Y491 AromaticContact CE2-CD2 3.44Å; F476-Y491 HydrophobicContact CE2-CD2 3.44Å; F476-Y491 VanDerWaalsContact CE2-CD2 3.44Å; F476-Y491 HydrophobicContact CE2-CE2 4.1Å; F476-Y491 AromaticContact CE2-CG 3.79Å; F476-Y491 HydrophobicContact CE2-CG 3.79Å; F476-Y491 HydrophobicContact CZ-CD2 4.12Å; F476-Y491 HydrophobicContact CZ-CE2 4.44Å; F476-Y491 HydrophobicContact CZ-CG 4.37Å; F476-K618 WeakPolarHBondContact CD1-O 3.48Å; F476-P619 HydrophobicContact CE1-CB 4.08Å; F476-P619 HydrophobicContact CZ-CB 4.19Å; F476-P949 HydrophobicContact CD1-CB 4.31Å; F476-P949 HydrophobicContact CD1-CG 4.48Å; F476-P949 HydrophobicContact CD2-CB 4.23Å; F476-P949 HydrophobicContact CD2-CG 4.07Å; F476-P949 HydrophobicContact CE1-CB 3.88Å; F476-P949 HydrophobicContact CE2-CB 3.79Å; F476-P949 HydrophobicContact CE2-CG 4.11Å; F476-P949 HydrophobicContact CG-CB 4.48Å; F476-P949 HydrophobicContact CG-CG 4.27Å; F476-P949 HydrophobicContact CZ-CB 3.61Å; F476-P949 HydrophobicContact CZ-CG 4.34Å
477V93.5Very high89.8Confident17 Ų1731.3 Ų31.310%0.10318%0.176CC..EExtended strand (participates in β ladder)trans-97.8112.4169-177.10000107.2I480 F486 I488 C615 L620 L636V477-I480 HydrophobicContact CG1-CD1 3.72Å; V477-I480 HydrophobicContact CG1-CG1 3.48Å; V477-I480 VanDerWaalsContact CG1-CG1 3.48Å; V477-F486 HydrophobicContact CG1-CB 4.32Å; V477-F486 HydrophobicContact CG1-CD2 3.9Å; V477-F486 HydrophobicContact CG1-CG 4.43Å; V477-I488 HydrophobicContact CG2-CG2 4.17Å; V477-C615 HydrophobicContact CB-CB 4.22Å; V477-C615 HydrophobicContact CG2-CB 4.36Å; V477-L620 HydrophobicContact CG2-CD1 3.93Å; V477-L636 HydrophobicContact CG2-CD1 4.03Å
478E90.6Very high90.1Very high40 Ų4029.9 Ų29.919%0.18717%0.168CC..EExtended strand (participates in β ladder)trans-92.8-38.8-168.2-61.8-73.6-171.600112.1Y487 R489 F563E478-Y487 PolarHBondContact N-O 3.21Å; E478-R489 HydrophobicContact CG-CB 3.83Å; E478-R489 IonicContact OE1-CZ 3.76Å; E478-R489 IonicContact OE1-NE 2.77Å; E478-R489 PolarHBondContact OE1-NE 3.41Å; E478-R489 IonicContact OE1-NH2 2.75Å; E478-R489 PolarHBondContact OE1-NH2 2.87Å; E478-F563 WeakPolarHBondContact CB-O 3.44Å
479Y93Very high90.3Very high48 Ų4825.3 Ų25.319%0.18814%0.143CC..EExtended strand (participates in β ladder)trans-142.5137.5-179.7-173.7-120.9000111.4I481 F486 Y487 N565Y479-I481 HydrophobicContact CD1-CG1 4.34Å; Y479-I481 HydrophobicContact CE1-CD1 3.94Å; Y479-I481 HydrophobicContact CE1-CG1 3.67Å; Y479-F486 CarbonylContact O-C 3.17Å; Y479-F486 VanDerWaalsContact O-CA 3.26Å; Y479-F486 WeakPolarHBondContact O-CA 3.23Å; Y479-F486 VanDerWaalsContact O-CB 3.3Å; Y479-F486 WeakPolarHBondContact O-CB 3.43Å; Y479-Y487 AromaticContact CD1-CD2 3.97Å; Y479-Y487 HydrophobicContact CD1-CD2 3.97Å; Y479-Y487 HydrophobicContact CD1-CE2 4.24Å; Y479-Y487 PolarHBondContact O-N 2.97Å; Y479-N565 HydrophobicContact CD1-CB 4.06Å; Y479-N565 HydrophobicContact CD2-CB 3.61Å; Y479-N565 HydrophobicContact CE1-CB 4.36Å; Y479-N565 HydrophobicContact CE2-CB 3.96Å; Y479-N565 HydrophobicContact CG-CB 3.69Å
480I94.4Very high90.5Very high29 Ų2921.9 Ų21.915%0.14912%0.122CC..EExtended strand (participates in β ladder)trans-131.6117.6-173-60.6173.9000110V477 F486 F611 Q612 C615V477-I480 HydrophobicContact CG1-CD1 3.72Å; V477-I480 HydrophobicContact CG1-CG1 3.48Å; V477-I480 VanDerWaalsContact CG1-CG1 3.48Å; I480-F486 HydrophobicContact CB-CB 4.49Å; I480-F486 HydrophobicContact CG1-CB 4.17Å; I480-F611 HydrophobicContact CD1-CD1 4.22Å; I480-F611 HydrophobicContact CD1-CE1 4.19Å; I480-F611 HydrophobicContact CG1-CE1 4.28Å; I480-F611 HydrophobicContact CG2-CD1 3.7Å; I480-F611 HydrophobicContact CG2-CE1 3.93Å; I480-Q612 HydrophobicContact CB-CG 4.25Å; I480-Q612 HydrophobicContact CD1-CB 4.43Å; I480-Q612 HydrophobicContact CD1-CG 3.97Å; I480-Q612 HydrophobicContact CG2-CG 3.94Å; I480-C615 HydrophobicContact CD1-CB 3.92Å
481I93.2Very high90.7Very high58 Ų5821 Ų2130%0.29711%0.107SC..EExtended strand (participates in β ladder)trans-97.9-46.3165.9-57.8167.2000109Y479 Q485Y479-I481 HydrophobicContact CD1-CG1 4.34Å; Y479-I481 HydrophobicContact CE1-CD1 3.94Å; Y479-I481 HydrophobicContact CE1-CG1 3.67Å; I481-Q485 WeakPolarHBondContact CA-O 3.43Å; I481-Q485 HydrophobicContact CB-CB 4.25Å; I481-Q485 HydrophobicContact CB-CG 4.32Å; I481-Q485 WeakPolarHBondContact CB-O 3.41Å; I481-Q485 HydrophobicContact CD1-CG 4.04Å; I481-Q485 PolarHBondContact N-O 2.91Å
482S94.7Very high90.4Very high14 Ų1421.6 Ų21.610%0.09811%0.111CC..EExtended strand (participates in β ladder)trans-157.6171.717474.40000111.8S484 Q485S482-S484 PolarHBondContact O-N 3Å; S482-S484 VanDerWaalsContact O-N 3.12Å; S482-S484 PolarHBondContact OG-N 3.18Å; S482-Q485 PolarHBondContact N-O 3.4Å; S482-Q485 CarbonylContact O-C 3.59Å; S482-Q485 PolarHBondContact O-N 2.99Å; S482-Q485 VanDerWaalsContact O-O 3.04Å; S482-Q485 PolarHBondContact OG-N 3.25Å
483P95.1Very high89.5Confident0 Ų028.4 Ų28.40%014%0.135CC..THydrogen-bonded Turntrans-59.6-17171.4-22.432.3000114.8F486 L593 W603 F611 L651P483-F486 WeakPolarHBondContact O-CE1 3.35Å; P483-L593 WeakPolarHBondContact O-CB 3.33Å; P483-L593 PolarHBondContact O-N 3.44Å; P483-W603 HydrophobicContact CB-CD2 4.18Å; P483-W603 HydrophobicContact CB-CE3 4.42Å; P483-W603 HydrophobicContact CB-CH2 4Å; P483-W603 HydrophobicContact CB-CZ2 3.73Å; P483-W603 HydrophobicContact CB-CZ3 4.33Å; P483-W603 HydrophobicContact CG-CD2 3.82Å; P483-W603 HydrophobicContact CG-CE3 3.87Å; P483-W603 HydrophobicContact CG-CG 4.36Å; P483-W603 HydrophobicContact CG-CH2 4.27Å; P483-W603 HydrophobicContact CG-CZ2 4.23Å; P483-W603 HydrophobicContact CG-CZ3 4.09Å; P483-F611 HydrophobicContact CB-CD1 4.35Å; P483-F611 HydrophobicContact CB-CD2 4.28Å; P483-F611 HydrophobicContact CB-CG 4.2Å; P483-F611 HydrophobicContact CG-CB 3.86Å; P483-F611 HydrophobicContact CG-CD1 4.1Å; P483-F611 HydrophobicContact CG-CD2 4.34Å; P483-F611 HydrophobicContact CG-CG 3.86Å; P483-L651 HydrophobicContact CB-CD1 4.36Å; P483-L651 HydrophobicContact CG-CD1 4.34Å
484S94.3Very high88.7Confident17 Ų1731.5 Ų31.512%0.11915%0.152CC..THydrogen-bonded Turntrans-102.85.5171.1-57.30000113.4S482 S592 W603 S666S482-S484 PolarHBondContact O-N 3Å; S482-S484 VanDerWaalsContact O-N 3.12Å; S482-S484 PolarHBondContact OG-N 3.18Å; S484-S592 WeakPolarHBondContact CA-OG 3.34Å; S484-W603 PolarHBondContact OG-NE1 3.05Å; S484-S666 WeakPolarHBondContact O-CB 3.4Å; S484-S666 PolarHBondContact O-OG 3.42Å
485Q94.3Very high88.1Confident28 Ų2831.8 Ų31.813%0.13115%0.153CC..EExtended strand (participates in β ladder)trans-153.888.5-178.9-162.3-17813.500110.2I481 S482 G668 F669I481-Q485 WeakPolarHBondContact CA-O 3.43Å; I481-Q485 HydrophobicContact CB-CB 4.25Å; I481-Q485 HydrophobicContact CB-CG 4.32Å; I481-Q485 WeakPolarHBondContact CB-O 3.41Å; I481-Q485 HydrophobicContact CD1-CG 4.04Å; I481-Q485 PolarHBondContact N-O 2.91Å; S482-Q485 PolarHBondContact N-O 3.4Å; S482-Q485 CarbonylContact O-C 3.59Å; S482-Q485 PolarHBondContact O-N 2.99Å; S482-Q485 VanDerWaalsContact O-O 3.04Å; S482-Q485 PolarHBondContact OG-N 3.25Å; Q485-G668 VanDerWaalsContact NE2-C 3.34Å; Q485-F669 HydrophobicContact CB-CE2 4.24Å; Q485-F669 HydrophobicContact CB-CZ 4.41Å; Q485-F669 HydrophobicContact CG-CD1 3.95Å; Q485-F669 HydrophobicContact CG-CD2 3.96Å; Q485-F669 HydrophobicContact CG-CE1 3.64Å; Q485-F669 HydrophobicContact CG-CE2 3.69Å; Q485-F669 HydrophobicContact CG-CG 4.1Å; Q485-F669 HydrophobicContact CG-CZ 3.52Å
486F95.2Very high87.4Confident0 Ų032.2 Ų32.20%016%0.155CC..EExtended strand (participates in β ladder)trans-139.8171.9173.860.7-87.5000110.4V477 Y479 I480 P483 I488 C591 L593 F611 I634 L636V477-F486 HydrophobicContact CG1-CB 4.32Å; V477-F486 HydrophobicContact CG1-CD2 3.9Å; V477-F486 HydrophobicContact CG1-CG 4.43Å; Y479-F486 CarbonylContact O-C 3.17Å; Y479-F486 VanDerWaalsContact O-CA 3.26Å; Y479-F486 WeakPolarHBondContact O-CA 3.23Å; Y479-F486 VanDerWaalsContact O-CB 3.3Å; Y479-F486 WeakPolarHBondContact O-CB 3.43Å; I480-F486 HydrophobicContact CB-CB 4.49Å; I480-F486 HydrophobicContact CG1-CB 4.17Å; P483-F486 WeakPolarHBondContact O-CE1 3.35Å; F486-I488 HydrophobicContact CD2-CG2 3.79Å; F486-I488 HydrophobicContact CE2-CG2 3.57Å; F486-C591 HydrophobicContact CD1-CB 4.47Å; F486-C591 HydrophobicContact CD2-CB 3.68Å; F486-C591 HydrophobicContact CE1-CB 4.19Å; F486-C591 HydrophobicContact CE2-CB 3.34Å; F486-C591 HydrophobicContact CG-CB 4.25Å; F486-C591 HydrophobicContact CZ-CB 3.63Å; F486-C591 PolarHBondContact N-O 3.38Å; F486-C591 PolarHBondContact O-N 3.33Å; F486-L593 HydrophobicContact CE1-CB 4.13Å; F486-F611 HydrophobicContact CB-CE1 4.28Å; F486-F611 AromaticContact CD1-CE1 3.73Å; F486-F611 HydrophobicContact CD1-CE1 3.73Å; F486-F611 AromaticContact CD1-CZ 3.63Å; F486-F611 HydrophobicContact CD1-CZ 3.63Å; F486-F611 HydrophobicContact CD2-CZ 4.46Å; F486-F611 HydrophobicContact CE1-CE1 4.18Å; F486-F611 AromaticContact CE1-CZ 3.59Å; F486-F611 HydrophobicContact CE1-CZ 3.59Å; F486-F611 HydrophobicContact CE2-CZ 4.43Å; F486-F611 HydrophobicContact CG-CE1 4.03Å; F486-F611 HydrophobicContact CG-CZ 4.08Å; F486-F611 HydrophobicContact CZ-CZ 4.02Å; F486-I634 HydrophobicContact CE2-CG2 4.15Å; F486-I634 HydrophobicContact CZ-CG2 3.75Å; F486-L636 HydrophobicContact CE2-CD1 3.9Å; F486-L636 HydrophobicContact CZ-CD1 3.85Å
487Y95.4Very high86.8Confident6 Ų634.1 Ų34.12%0.02417%0.165CC..EExtended strand (participates in β ladder)trans-121.7139175-68.4-98.2000110.1E478 Y479 F559 G564 A588 I589 P590 F669E478-Y487 PolarHBondContact N-O 3.21Å; Y479-Y487 AromaticContact CD1-CD2 3.97Å; Y479-Y487 HydrophobicContact CD1-CD2 3.97Å; Y479-Y487 HydrophobicContact CD1-CE2 4.24Å; Y479-Y487 PolarHBondContact O-N 2.97Å; Y487-F559 HydrophobicContact CE1-CE2 4.43Å; Y487-F559 HydrophobicContact CE1-CZ 4.43Å; Y487-G564 WeakPolarHBondContact CE2-O 3.26Å; Y487-A588 HydrophobicContact CD1-CB 4.06Å; Y487-I589 WeakPolarHBondContact CA-O 3.47Å; Y487-P590 HydrophobicContact CD1-CB 4.08Å; Y487-P590 HydrophobicContact CE1-CB 3.78Å; Y487-F669 HydrophobicContact CE1-CE1 4.49Å; Y487-F669 AromaticContact CE2-CE1 4Å; Y487-F669 HydrophobicContact CE2-CE1 4Å; Y487-F669 HydrophobicContact CE2-CZ 4.22Å; Y487-F669 AromaticContact CZ-CE1 3.79Å
488I94.5Very high86.6Confident0 Ų036.8 Ų36.80%018%0.178CC..EExtended strand (participates in β ladder)trans-113.4161.5172.169.1174.3000111I473 V475 F476 V477 F486 A588 I589 C591 L632 I634I473-I488 HydrophobicContact CD1-CD1 4.37Å; V475-I488 HydrophobicContact CB-CB 4.46Å; V475-I488 HydrophobicContact CB-CD1 4.44Å; V475-I488 HydrophobicContact CG1-CD1 3.86Å; F476-I488 CarbonylContact O-C 3.57Å; F476-I488 WeakPolarHBondContact O-CA 3.38Å; F476-I488 WeakPolarHBondContact O-CB 3.26Å; V477-I488 HydrophobicContact CG2-CG2 4.17Å; F486-I488 HydrophobicContact CD2-CG2 3.79Å; F486-I488 HydrophobicContact CE2-CG2 3.57Å; I488-A588 WeakPolarHBondContact O-CA 3.38Å; I488-I589 HydrophobicContact CD1-CB 4.45Å; I488-I589 HydrophobicContact CG1-CB 3.82Å; I488-I589 HydrophobicContact CG1-CG2 4.49Å; I488-I589 PolarHBondContact N-O 3.37Å; I488-I589 PolarHBondContact O-N 3.05Å; I488-C591 HydrophobicContact CG2-CB 4.37Å; I488-L632 HydrophobicContact CD1-CD2 3.94Å; I488-I634 HydrophobicContact CD1-CD1 3.79Å
489R91.8Very high86.6Confident8 Ų835 Ų353%0.0317%0.169CC..EExtended strand (participates in β ladder)trans-125.4145.4159.4179.5168.155.2111.1-1.6109.2V475 F476 E478 Y491 L499 Q587V475-R489 WeakPolarHBondContact CA-O 3.15Å; F476-R489 PolarHBondContact N-O 3.49Å; F476-R489 PolarHBondContact O-N 3.09Å; E478-R489 HydrophobicContact CG-CB 3.83Å; E478-R489 IonicContact OE1-CZ 3.76Å; E478-R489 IonicContact OE1-NE 2.77Å; E478-R489 PolarHBondContact OE1-NE 3.41Å; E478-R489 IonicContact OE1-NH2 2.75Å; E478-R489 PolarHBondContact OE1-NH2 2.87Å; R489-Y491 PolarHBondContact O-N 3.44Å; R489-L499 VanDerWaalsContact CD-CD2 3.49Å; R489-Q587 HydrophobicContact CG-CB 4.11Å
490I89.9Confident86.4Confident21 Ų2134.7 Ų34.711%0.10817%0.17CC..EExtended strand (participates in β ladder)trans-69.4125178.8-59.2175.2000109.2L464 L467 S492 I589L464-I490 HydrophobicContact CD1-CD1 4.27Å; L467-I490 HydrophobicContact CD1-CD1 4.17Å; L467-I490 HydrophobicContact CD2-CD1 4.03Å; I490-S492 PolarHBondContact O-N 3.15Å; I490-I589 HydrophobicContact CD1-CD1 4.05Å; I490-I589 HydrophobicContact CG1-CD1 4.01Å
491Y81.7Confident86.1Confident60 Ų6036 Ų3624%0.23518%0.177CC..  trans-92.586.7166.7179.3-122.2000108.9G474 F476 R489 P619 A956G474-Y491 PolarHBondContact O-N 3.15Å; F476-Y491 HydrophobicContact CD2-CD2 4.22Å; F476-Y491 HydrophobicContact CD2-CG 4.29Å; F476-Y491 AromaticContact CE2-CD2 3.44Å; F476-Y491 HydrophobicContact CE2-CD2 3.44Å; F476-Y491 VanDerWaalsContact CE2-CD2 3.44Å; F476-Y491 HydrophobicContact CE2-CE2 4.1Å; F476-Y491 AromaticContact CE2-CG 3.79Å; F476-Y491 HydrophobicContact CE2-CG 3.79Å; F476-Y491 HydrophobicContact CZ-CD2 4.12Å; F476-Y491 HydrophobicContact CZ-CE2 4.44Å; F476-Y491 HydrophobicContact CZ-CG 4.37Å; R489-Y491 PolarHBondContact O-N 3.44Å; Y491-P619 HydrophobicContact CD1-CB 3.62Å; Y491-P619 HydrophobicContact CE1-CB 3.85Å; Y491-P619 HydrophobicContact CE1-CG 4.37Å; Y491-P619 HydrophobicContact CG-CB 4.31Å; Y491-A956 WeakPolarHBondContact OH-CB 3.48Å
492S73.1Confident86.1Confident44 Ų4434.2 Ų34.231%0.30817%0.168SC..SBendtrans-135.9156.9167.972.90000109.2I490 D494 S495 S496I490-S492 PolarHBondContact O-N 3.15Å; S492-D494 PolarHBondContact O-N 3.48Å; S492-S495 PolarHBondContact O-N 2.98Å; S492-S495 WeakPolarHBondContact OG-CB 3.48Å; S492-S495 PolarHBondContact OG-N 3.46Å; S492-S496 PolarHBondContact O-N 3Å; S492-S496 PolarHBondContact O-OG 3.39Å; S492-S496 VanDerWaalsContact O-OG 3.09Å
493R63.9Low86Confident167 Ų16734 Ų3463%0.6317%0.165SC*.Hα-helixtrans-55.4-42.7-179.7-156.1-179.7179-120.3-28.4111.7S495 E497R493-S495 VanDerWaalsContact C-N 3.29Å; R493-S495 PolarHBondContact O-N 3.44Å; R493-E497 HydrophobicContact CG-CG 4.26Å; R493-E497 WeakPolarHBondContact CG-OE1 3.36Å; R493-E497 IonicContact CZ-OE1 3.46Å; R493-E497 IonicContact CZ-OE2 3.91Å; R493-E497 IonicContact NE-OE1 3.45Å; R493-E497 PolarHBondContact NE-OE1 3.25Å; R493-E497 IonicContact NE-OE2 2.65Å; R493-E497 PolarHBondContact NE-OE2 3.49Å; R493-E497 IonicContact NH2-OE1 2.78Å; R493-E497 PolarHBondContact NH2-OE1 2.98Å; R493-E497 IonicContact NH2-OE2 2.65Å; R493-E497 PolarHBondContact NH2-OE2 2.76Å; R493-E497 VanDerWaalsContact O-CB 3.31Å; R493-E497 WeakPolarHBondContact O-CB 3.09Å; R493-E497 WeakPolarHBondContact O-CG 3.43Å; R493-E497 PolarHBondContact O-N 3.22Å
494D67.5Low85.8Confident84 Ų8434.2 Ų34.245%0.44917%0.167SC..Hα-helixtrans-878-173.4-41.3-72000113.6S492 L498S492-D494 PolarHBondContact O-N 3.48Å; D494-L498 WeakPolarHBondContact O-CD1 3.42Å
495S73.5Confident85.7Confident12 Ų1235.1 Ų35.18%0.08417%0.169CC..Hα-helixtrans-125.8-49.9172.9170.90000112.3S492 R493 L498 L499 Q587S492-S495 PolarHBondContact O-N 2.98Å; S492-S495 WeakPolarHBondContact OG-CB 3.48Å; S492-S495 PolarHBondContact OG-N 3.46Å; R493-S495 VanDerWaalsContact C-N 3.29Å; R493-S495 PolarHBondContact O-N 3.44Å; S495-L498 PolarHBondContact O-N 3.47Å; S495-L499 PolarHBondContact O-N 2.8Å; S495-Q587 PolarHBondContact OG-OE1 3.43Å
496S74.9Confident85.7Confident8 Ų833.8 Ų33.86%0.05616%0.162CC..Hα-helixtrans-72.8-39.6-176.567.80000112.5S492 L498 L499 E500S492-S496 PolarHBondContact O-N 3Å; S492-S496 PolarHBondContact O-OG 3.39Å; S492-S496 VanDerWaalsContact O-OG 3.09Å; S496-L498 VanDerWaalsContact C-N 3.28Å; S496-L498 PolarHBondContact O-N 2.9Å; S496-L499 PolarHBondContact O-N 3.03Å; S496-E500 WeakPolarHBondContact O-CG 3.33Å; S496-E500 PolarHBondContact O-N 3.07Å; S496-E500 VanDerWaalsContact O-N 3.16Å
497E79.2Confident85.5Confident56 Ų5634.6 Ų34.626%0.26217%0.165SC..Hα-helixtrans-63.4-34.9174.3-61.3-173.5-168.800110.9R493 E500 D501R493-E497 HydrophobicContact CG-CG 4.26Å; R493-E497 WeakPolarHBondContact CG-OE1 3.36Å; R493-E497 IonicContact CZ-OE1 3.46Å; R493-E497 IonicContact CZ-OE2 3.91Å; R493-E497 IonicContact NE-OE1 3.45Å; R493-E497 PolarHBondContact NE-OE1 3.25Å; R493-E497 IonicContact NE-OE2 2.65Å; R493-E497 PolarHBondContact NE-OE2 3.49Å; R493-E497 IonicContact NH2-OE1 2.78Å; R493-E497 PolarHBondContact NH2-OE1 2.98Å; R493-E497 IonicContact NH2-OE2 2.65Å; R493-E497 PolarHBondContact NH2-OE2 2.76Å; R493-E497 VanDerWaalsContact O-CB 3.31Å; R493-E497 WeakPolarHBondContact O-CB 3.09Å; R493-E497 WeakPolarHBondContact O-CG 3.43Å; R493-E497 PolarHBondContact O-N 3.22Å; E497-E500 PolarHBondContact O-N 2.87Å; E497-D501 VanDerWaalsContact O-CB 3.32Å; E497-D501 WeakPolarHBondContact O-CB 3.45Å; E497-D501 PolarHBondContact O-N 3.38Å
498L88.3Confident85.2Confident73 Ų7339.3 Ų39.338%0.38218%0.183SC..Hα-helixtrans-68.4-38.1178.6-63.9-172.5000113.6D494 S495 S496 M502 L584D494-L498 WeakPolarHBondContact O-CD1 3.42Å; S495-L498 PolarHBondContact O-N 3.47Å; S496-L498 VanDerWaalsContact C-N 3.28Å; S496-L498 PolarHBondContact O-N 2.9Å; L498-M502 WeakPolarHBondContact O-CB 3.45Å; L498-M502 PolarHBondContact O-N 3.01Å; L498-L584 HydrophobicContact CB-CD1 3.94Å; L498-L584 HydrophobicContact CD1-CD1 4.16Å
499L91Very high85Confident1 Ų140.1 Ų40.11%0.00519%0.189CC..Hα-helixtrans-68.3-43.7174.8-177.363.9000111R489 S495 S496 M502 M503 D562 F563 L584 Q587R489-L499 VanDerWaalsContact CD-CD2 3.49Å; S495-L499 PolarHBondContact O-N 2.8Å; S496-L499 PolarHBondContact O-N 3.03Å; L499-M502 HydrophobicContact CD1-CE 3.67Å; L499-M502 PolarHBondContact O-N 2.78Å; L499-M503 HydrophobicContact CD1-CG 4.4Å; L499-M503 HydrophobicContact CD1-SD 4.36Å; L499-M503 HydrophobicContact CD2-SD 4.49Å; L499-M503 HydrophobicContact CG-CG 4.5Å; L499-M503 HydrophobicContact CG-SD 4.05Å; L499-M503 WeakPolarHBondContact O-CB 3.37Å; L499-M503 VanDerWaalsContact O-CG 3.31Å; L499-M503 WeakPolarHBondContact O-CG 3.41Å; L499-M503 PolarHBondContact O-N 2.91Å; L499-D562 HydrophobicContact CD1-CB 3.99Å; L499-D562 HydrophobicContact CD2-CB 4.13Å; L499-F563 HydrophobicContact CD2-CZ 4.25Å; L499-L584 HydrophobicContact CB-CD2 4.15Å; L499-L584 HydrophobicContact CD1-CD2 3.98Å; L499-Q587 HydrophobicContact CB-CG 4.28Å; L499-Q587 HydrophobicContact CD1-CG 4.04Å; L499-Q587 HydrophobicContact CD2-CB 4.25Å; L499-Q587 HydrophobicContact CD2-CG 4.16Å; L499-Q587 HydrophobicContact CG-CG 4.38Å
500E88.1Confident85.1Confident42 Ų4239.8 Ų39.820%0.19619%0.187CC..Hα-helixtrans-58.8-49.6175.4-73.2173.8-158.500111.5R46 S496 E497 M502 M503 I504R46-E500 WeakPolarHBondContact CD-OE2 3.27Å; R46-E500 IonicContact CZ-OE2 2.74Å; R46-E500 IonicContact NH1-OE2 2.73Å; R46-E500 PolarHBondContact NH1-OE2 2.69Å; S496-E500 WeakPolarHBondContact O-CG 3.33Å; S496-E500 PolarHBondContact O-N 3.07Å; S496-E500 VanDerWaalsContact O-N 3.16Å; E497-E500 PolarHBondContact O-N 2.87Å; E500-M502 VanDerWaalsContact C-N 3.32Å; E500-M502 PolarHBondContact O-N 3.44Å; E500-M503 PolarHBondContact O-N 3.11Å; E500-M503 VanDerWaalsContact O-N 3.15Å; E500-I504 VanDerWaalsContact O-CG1 3.26Å; E500-I504 WeakPolarHBondContact O-CG1 3.46Å; E500-I504 PolarHBondContact O-N 3.18Å
501D89.2Confident85Confident57 Ų5741.9 Ų41.931%0.30520%0.204SC..Hα-helixtrans-61.9-40.5-179.8-73.710.2000111.1R46 E497 I504 E505R46-D501 IonicContact CZ-OD1 2.69Å; R46-D501 IonicContact NH1-OD1 3.88Å; R46-D501 PolarHBondContact NH1-OD1 2.81Å; R46-D501 IonicContact NH2-OD1 3.94Å; R46-D501 PolarHBondContact NH2-OD1 2.61Å; R46-D501 IonicContact NH2-OD2 2.71Å; E497-D501 VanDerWaalsContact O-CB 3.32Å; E497-D501 WeakPolarHBondContact O-CB 3.45Å; E497-D501 PolarHBondContact O-N 3.38Å; D501-I504 PolarHBondContact O-N 3.19Å; D501-E505 PolarHBondContact O-N 3.43Å
502M93.7Very high85.3Confident21 Ų2142.9 Ų42.910%0.10321%0.214CC..Hα-helixtrans-62.6-45173.2-173.2-163.775.400111.9L498 L499 E500 I504 E505 M506 R544 Y581 L584L498-M502 WeakPolarHBondContact O-CB 3.45Å; L498-M502 PolarHBondContact O-N 3.01Å; L499-M502 HydrophobicContact CD1-CE 3.67Å; L499-M502 PolarHBondContact O-N 2.78Å; E500-M502 VanDerWaalsContact C-N 3.32Å; E500-M502 PolarHBondContact O-N 3.44Å; M502-I504 VanDerWaalsContact C-N 3.34Å; M502-I504 PolarHBondContact O-N 2.8Å; M502-E505 PolarHBondContact O-N 3.04Å; M502-M506 HydrophobicContact CE-SD 3.91Å; M502-M506 HydrophobicContact CG-SD 4.27Å; M502-M506 WeakPolarHBondContact O-CB 3.49Å; M502-M506 VanDerWaalsContact O-CG 3.31Å; M502-M506 WeakPolarHBondContact O-CG 3.44Å; M502-M506 PolarHBondContact O-N 2.9Å; M502-M506 HydrophobicContact SD-SD 4.46Å; M502-R544 HydrophobicContact CE-CG 3.84Å; M502-Y581 HydrophobicContact CG-CD1 3.9Å; M502-L584 HydrophobicContact CB-CD2 4.46Å; M502-L584 HydrophobicContact SD-CB 4.11Å; M502-L584 HydrophobicContact SD-CD2 3.98Å
503M92.5Very high86Confident9 Ų946.2 Ų46.24%0.04422%0.224CC..Hα-helixtrans-65.8-35.2178.3-73.4177.166.300112.2L499 E500 R507 W541 Y543 F563L499-M503 HydrophobicContact CD1-CG 4.4Å; L499-M503 HydrophobicContact CD1-SD 4.36Å; L499-M503 HydrophobicContact CD2-SD 4.49Å; L499-M503 HydrophobicContact CG-CG 4.5Å; L499-M503 HydrophobicContact CG-SD 4.05Å; L499-M503 WeakPolarHBondContact O-CB 3.37Å; L499-M503 VanDerWaalsContact O-CG 3.31Å; L499-M503 WeakPolarHBondContact O-CG 3.41Å; L499-M503 PolarHBondContact O-N 2.91Å; E500-M503 PolarHBondContact O-N 3.11Å; E500-M503 VanDerWaalsContact O-N 3.15Å; M503-R507 WeakPolarHBondContact O-CB 3.43Å; M503-R507 PolarHBondContact O-N 3.2Å; M503-W541 HydrophobicContact CB-CE3 3.86Å; M503-W541 HydrophobicContact CB-CZ3 3.74Å; M503-W541 HydrophobicContact CE-CB 4.37Å; M503-W541 HydrophobicContact CE-CD2 4.36Å; M503-W541 HydrophobicContact CE-CE3 4.12Å; M503-Y543 HydrophobicContact CE-CD1 4.11Å; M503-Y543 HydrophobicContact CE-CE1 3.61Å; M503-F563 HydrophobicContact CE-CZ 4.18Å; M503-F563 HydrophobicContact SD-CE2 4.32Å; M503-F563 HydrophobicContact SD-CZ 3.91Å
504I90.6Very high87.2Confident5 Ų541.7 Ų41.73%0.02621%0.212CC..Hα-helixtrans-65.6-49.5175.2-70.3165.7000110R46 R51 E500 D501 M502 M506 R507 R508 W541R46-I504 HydrophobicContact CG-CD1 4.35Å; R51-I504 HydrophobicContact CB-CG2 4.24Å; E500-I504 VanDerWaalsContact O-CG1 3.26Å; E500-I504 WeakPolarHBondContact O-CG1 3.46Å; E500-I504 PolarHBondContact O-N 3.18Å; D501-I504 PolarHBondContact O-N 3.19Å; M502-I504 VanDerWaalsContact C-N 3.34Å; M502-I504 PolarHBondContact O-N 2.8Å; I504-M506 PolarHBondContact O-N 2.94Å; I504-R507 PolarHBondContact O-N 3.02Å; I504-R508 WeakPolarHBondContact O-CB 3.42Å; I504-R508 PolarHBondContact O-N 3.07Å; I504-W541 HydrophobicContact CG1-CH2 3.83Å; I504-W541 HydrophobicContact CG1-CZ3 3.81Å
505E92Very high88.3Confident35 Ų3538.6 Ų38.616%0.16420%0.197CC..Hα-helixtrans-68.7-33.6178.2-65.4-62.8156.200112.4R51 D501 M502 R508 C509 Y581R51-E505 IonicContact CZ-OE1 3.58Å; R51-E505 IonicContact NH1-OE1 2.84Å; R51-E505 PolarHBondContact NH1-OE1 3.36Å; D501-E505 PolarHBondContact O-N 3.43Å; M502-E505 PolarHBondContact O-N 3.04Å; E505-R508 WeakPolarHBondContact OE2-CD 3.47Å; E505-R508 IonicContact OE2-NH1 3.63Å; E505-R508 PolarHBondContact OE2-NH1 2.57Å; E505-C509 VanDerWaalsContact O-CB 3.25Å; E505-C509 WeakPolarHBondContact O-CB 3.27Å; E505-C509 PolarHBondContact O-N 2.87Å; E505-Y581 HydrophobicContact CB-CE1 4.2Å; E505-Y581 PolarHBondContact O-OH 2.98Å; E505-Y581 VanDerWaalsContact O-OH 3.07Å
506M94.1Very high89.1Confident0 Ų038.3 Ų38.30%019%0.194CC..Hα-helixtrans-61.2-46170.4-78.8-177.859.700111M502 I504 C509 Y510 C533 W542 R544 L577 Y581M502-M506 HydrophobicContact CE-SD 3.91Å; M502-M506 HydrophobicContact CG-SD 4.27Å; M502-M506 WeakPolarHBondContact O-CB 3.49Å; M502-M506 VanDerWaalsContact O-CG 3.31Å; M502-M506 WeakPolarHBondContact O-CG 3.44Å; M502-M506 PolarHBondContact O-N 2.9Å; M502-M506 HydrophobicContact SD-SD 4.46Å; I504-M506 PolarHBondContact O-N 2.94Å; M506-C509 PolarHBondContact O-N 2.88Å; M506-Y510 HydrophobicContact CB-CD2 4.23Å; M506-Y510 HydrophobicContact CB-CE2 4.19Å; M506-Y510 HydrophobicContact CE-CE2 4.08Å; M506-Y510 HydrophobicContact CG-CE2 4.12Å; M506-Y510 WeakPolarHBondContact O-CD2 3.32Å; M506-Y510 PolarHBondContact O-N 2.84Å; M506-C533 HydrophobicContact CE-CB 3.58Å; M506-W542 HydrophobicContact CB-CB 4.16Å; M506-W542 HydrophobicContact CE-CB 4.15Å; M506-W542 WeakPolarHBondContact CE-O 3.39Å; M506-R544 HydrophobicContact CE-CG 3.98Å; M506-R544 HydrophobicContact SD-CG 3.82Å; M506-L577 HydrophobicContact CE-CD1 3.75Å; M506-L577 HydrophobicContact SD-CD1 4.21Å; M506-Y581 HydrophobicContact CB-CE1 4.43Å; M506-Y581 HydrophobicContact CG-CD1 3.48Å; M506-Y581 VanDerWaalsContact CG-CD1 3.48Å; M506-Y581 HydrophobicContact CG-CD2 3.69Å; M506-Y581 HydrophobicContact CG-CE1 3.53Å; M506-Y581 HydrophobicContact CG-CE2 3.72Å; M506-Y581 HydrophobicContact CG-CG 3.56Å; M506-Y581 HydrophobicContact SD-CD1 4.26Å; M506-Y581 HydrophobicContact SD-CD2 4.34Å; M506-Y581 HydrophobicContact SD-CG 3.99Å
507R91.2Very high89.9Confident17 Ų1742 Ų426%0.06421%0.213CC..Hα-helixtrans-61.2-49.2175.6170.4178.3167.2173.8-20.2112.3L48 G49 Y50 M503 I504 C509 S511 K540 W541L48-R507 PolarHBondContact O-NH1 3.43Å; L48-R507 PolarHBondContact O-NH2 3.49Å; G49-R507 PolarHBondContact O-NE 2.71Å; G49-R507 PolarHBondContact O-NH2 2.93Å; Y50-R507 VanDerWaalsContact CE1-NH2 3.3Å; Y50-R507 PolarHBondContact OH-NH2 2.77Å; M503-R507 WeakPolarHBondContact O-CB 3.43Å; M503-R507 PolarHBondContact O-N 3.2Å; I504-R507 PolarHBondContact O-N 3.02Å; R507-C509 PolarHBondContact O-N 2.93Å; R507-S511 WeakPolarHBondContact O-CB 3.47Å; R507-S511 PolarHBondContact O-N 3.45Å; R507-S511 VanDerWaalsContact O-N 3.09Å; R507-S511 PolarHBondContact O-OG 3.2Å; R507-K540 WeakPolarHBondContact CD-O 3.23Å; R507-K540 WeakPolarHBondContact CG-O 3.44Å; R507-W541 HydrophobicContact CB-CE3 4.4Å
508R88.4Confident90.5Very high105 Ų10544.5 Ų44.540%0.39622%0.22SC..Hα-helixtrans-54.2-38.5175.1-175.9-174.9175-154.6-0.7111.6I504 E505 D738I504-R508 WeakPolarHBondContact O-CB 3.42Å; I504-R508 PolarHBondContact O-N 3.07Å; E505-R508 WeakPolarHBondContact OE2-CD 3.47Å; E505-R508 IonicContact OE2-NH1 3.63Å; E505-R508 PolarHBondContact OE2-NH1 2.57Å; R508-D738 IonicContact CZ-OD1 2.7Å; R508-D738 IonicContact NH1-OD1 3.19Å; R508-D738 IonicContact NH2-OD1 2.72Å; R508-D738 PolarHBondContact NH2-OD1 2.83Å; R508-D738 IonicContact NH2-OD2 3.4Å
509C91.4Very high90.8Very high17 Ų1741.4 Ų41.412%0.11520%0.204CC..Hα-helixtrans-74.6-64.7-179.8-160.40000112.9E505 M506 R507 S511 N512 V515 K578 Y581E505-C509 VanDerWaalsContact O-CB 3.25Å; E505-C509 WeakPolarHBondContact O-CB 3.27Å; E505-C509 PolarHBondContact O-N 2.87Å; M506-C509 PolarHBondContact O-N 2.88Å; R507-C509 PolarHBondContact O-N 2.93Å; C509-S511 PolarHBondContact O-N 3.09Å; C509-N512 PolarHBondContact O-N 2.61Å; C509-V515 VanDerWaalsContact O-CB 3.32Å; C509-V515 WeakPolarHBondContact O-CB 3.49Å; C509-V515 WeakPolarHBondContact O-CG1 3.28Å; C509-K578 VanDerWaalsContact SG-CD 3.56Å; C509-K578 VanDerWaalsContact SG-CE 3.52Å; C509-Y581 VanDerWaalsContact CB-OH 3.25Å; C509-Y581 WeakPolarHBondContact CB-OH 3.22Å
510Y92.7Very high91Very high1 Ų144.5 Ų44.50%0.00422%0.223CC..Hα-helixtrans-81.4-11.8-169-57.3-71.8000114.9M506 N512 V515 S516 Y519 C533 W542 K578 Y581M506-Y510 HydrophobicContact CB-CD2 4.23Å; M506-Y510 HydrophobicContact CB-CE2 4.19Å; M506-Y510 HydrophobicContact CE-CE2 4.08Å; M506-Y510 HydrophobicContact CG-CE2 4.12Å; M506-Y510 WeakPolarHBondContact O-CD2 3.32Å; M506-Y510 PolarHBondContact O-N 2.84Å; Y510-N512 PolarHBondContact O-N 2.87Å; Y510-V515 HydrophobicContact CD1-CG1 4.4Å; Y510-S516 WeakPolarHBondContact O-CB 3.48Å; Y510-S516 PolarHBondContact O-OG 3.15Å; Y510-Y519 HydrophobicContact CE1-CD2 4.27Å; Y510-Y519 HydrophobicContact CE1-CG 4.17Å; Y510-C533 VanDerWaalsContact CZ-SG 3.54Å; Y510-W542 VanDerWaalsContact CB-CD2 3.45Å; Y510-W542 HydrophobicContact CD2-CB 4.24Å; Y510-W542 HydrophobicContact CD2-CD2 4.12Å; Y510-W542 HydrophobicContact CD2-CE3 4.25Å; Y510-W542 HydrophobicContact CD2-CG 4.14Å; Y510-W542 HydrophobicContact CG-CD2 4.1Å; Y510-W542 HydrophobicContact CG-CE3 4.18Å; Y510-W542 HydrophobicContact CG-CG 4.49Å; Y510-W542 WeakPolarHBondContact O-CZ2 3.3Å; Y510-K578 HydrophobicContact CE1-CD 4.08Å; Y510-K578 HydrophobicContact CE1-CG 4.27Å; Y510-K578 PolarHBondContact OH-N 2.7Å; Y510-Y581 HydrophobicContact CE2-CD2 4.14Å; Y510-Y581 AromaticContact CE2-CE2 3.72Å; Y510-Y581 HydrophobicContact CE2-CE2 3.72Å; Y510-Y581 AromaticContact CZ-CE2 3.89Å; Y510-Y581 WeakPolarHBondContact OH-CD2 3.36Å; Y510-Y581 WeakPolarHBondContact OH-CE2 3.37Å
511S89.2Confident91.2Very high66 Ų6643 Ų4346%0.46222%0.216SC..THydrogen-bonded Turntrans-76.7-13.1174.2-49.10000112.8R507 C509 Q513 W542R507-S511 WeakPolarHBondContact O-CB 3.47Å; R507-S511 PolarHBondContact O-N 3.45Å; R507-S511 VanDerWaalsContact O-N 3.09Å; R507-S511 PolarHBondContact O-OG 3.2Å; C509-S511 PolarHBondContact O-N 3.09Å; S511-Q513 PolarHBondContact O-N 3.41Å; S511-W542 PolarHBondContact OG-NE1 3.11Å
512N87.1Confident91.4Very high81 Ų8141.2 Ų41.243%0.43321%0.207SC..SBendtrans-76.1116.1164.1-178.9-18.2000108.8C509 Y510 L514 V515 S516C509-N512 PolarHBondContact O-N 2.61Å; Y510-N512 PolarHBondContact O-N 2.87Å; N512-L514 PolarHBondContact O-N 3.5Å; N512-L514 WeakPolarHBondContact OD1-CB 3.21Å; N512-L514 PolarHBondContact OD1-N 3.48Å; N512-L514 VanDerWaalsContact OD1-N 3.08Å; N512-V515 HydrophobicContact CB-CB 4.32Å; N512-V515 HydrophobicContact CB-CG2 3.95Å; N512-V515 WeakPolarHBondContact O-CA 3.1Å; N512-V515 WeakPolarHBondContact O-CB 3.45Å; N512-V515 PolarHBondContact O-N 2.85Å; N512-S516 PolarHBondContact O-N 3.31Å
513Q88.3Confident91.2Very high114 Ų11445 Ų4553%0.53323%0.225SC..Hα-helixtrans-53.4-39.4-177.7-164.267.639.300112.9S511 V515 S516 D517S511-Q513 PolarHBondContact O-N 3.41Å; Q513-V515 PolarHBondContact O-N 3.49Å; Q513-S516 PolarHBondContact O-N 3.29Å; Q513-S516 VanDerWaalsContact O-N 3.16Å; Q513-D517 WeakPolarHBondContact CG-OD2 3.27Å; Q513-D517 PolarHBondContact NE2-OD1 3.45Å; Q513-D517 WeakPolarHBondContact O-CB 3.36Å; Q513-D517 VanDerWaalsContact O-CG 3.25Å; Q513-D517 PolarHBondContact O-N 2.91Å
514L89Confident91.1Very high71 Ų7148.4 Ų48.437%0.37225%0.249SC..Hα-helixtrans-69-18.3179.5-54.8168.6000113.6N512 R518 P746N512-L514 PolarHBondContact O-N 3.5Å; N512-L514 WeakPolarHBondContact OD1-CB 3.21Å; N512-L514 PolarHBondContact OD1-N 3.48Å; N512-L514 VanDerWaalsContact OD1-N 3.08Å; L514-R518 PolarHBondContact O-NE 3.47Å; L514-P746 HydrophobicContact CD1-CB 3.66Å; L514-P746 HydrophobicContact CD1-CG 3.64Å; L514-P746 HydrophobicContact CD2-CB 4.39Å
515V89.7Confident91.1Very high20 Ų2050.5 Ų50.512%0.12126%0.257CS..Hα-helixtrans-86-54.8167.5-1790000107.9C509 Y510 N512 Q513 D517 R518 Y519C509-V515 VanDerWaalsContact O-CB 3.32Å; C509-V515 WeakPolarHBondContact O-CB 3.49Å; C509-V515 WeakPolarHBondContact O-CG1 3.28Å; Y510-V515 HydrophobicContact CD1-CG1 4.4Å; N512-V515 HydrophobicContact CB-CB 4.32Å; N512-V515 HydrophobicContact CB-CG2 3.95Å; N512-V515 WeakPolarHBondContact O-CA 3.1Å; N512-V515 WeakPolarHBondContact O-CB 3.45Å; N512-V515 PolarHBondContact O-N 2.85Å; Q513-V515 PolarHBondContact O-N 3.49Å; V515-D517 VanDerWaalsContact C-N 3.3Å; V515-D517 PolarHBondContact O-N 3.41Å; V515-R518 PolarHBondContact O-N 3.16Å; V515-Y519 HydrophobicContact CG1-CD2 3.92Å; V515-Y519 HydrophobicContact CG1-CE2 3.82Å; V515-Y519 VanDerWaalsContact O-CD2 3.32Å; V515-Y519 WeakPolarHBondContact O-CD2 3.42Å; V515-Y519 PolarHBondContact O-N 3.39Å
516S91.4Very high91.2Very high5 Ų549 Ų494%0.03525%0.25CS..Hα-helixtrans-48.2-49-178-150.70000113Y510 N512 Q513 R518 Y519 V520 R575Y510-S516 WeakPolarHBondContact O-CB 3.48Å; Y510-S516 PolarHBondContact O-OG 3.15Å; N512-S516 PolarHBondContact O-N 3.31Å; Q513-S516 PolarHBondContact O-N 3.29Å; Q513-S516 VanDerWaalsContact O-N 3.16Å; S516-R518 VanDerWaalsContact C-N 3.27Å; S516-R518 PolarHBondContact O-N 3.4Å; S516-Y519 PolarHBondContact O-N 3.41Å; S516-Y519 VanDerWaalsContact O-N 3.14Å; S516-V520 PolarHBondContact O-N 2.85Å; S516-R575 WeakPolarHBondContact O-CD 3.22Å; S516-R575 PolarHBondContact O-NE 2.86Å; S516-R575 PolarHBondContact OG-NE 3.28Å; S516-R575 VanDerWaalsContact OG-NE 3.09Å
517D91.4Very high91.1Very high85 Ų8553.5 Ų53.546%0.45527%0.271SS..G310 helixtrans-65.2-29.1-176.4-65.8-17.5000112.9Q513 V515 V520Q513-D517 WeakPolarHBondContact CG-OD2 3.27Å; Q513-D517 PolarHBondContact NE2-OD1 3.45Å; Q513-D517 WeakPolarHBondContact O-CB 3.36Å; Q513-D517 VanDerWaalsContact O-CG 3.25Å; Q513-D517 PolarHBondContact O-N 2.91Å; V515-D517 VanDerWaalsContact C-N 3.3Å; V515-D517 PolarHBondContact O-N 3.41Å; D517-V520 WeakPolarHBondContact O-CG2 3.48Å
518R92Very high91.2Very high109 Ų10956 Ų5641%0.41129%0.29SS..G310 helixtrans-77.7-19.4176.9-72.1-173-71151.6-7.7114P452 L514 V515 S516P452-R518 WeakPolarHBondContact CD-O 3.15Å; P452-R518 VanDerWaalsContact CG-O 3.22Å; P452-R518 WeakPolarHBondContact CG-O 3.33Å; L514-R518 PolarHBondContact O-NE 3.47Å; V515-R518 PolarHBondContact O-N 3.16Å; S516-R518 VanDerWaalsContact C-N 3.27Å; S516-R518 PolarHBondContact O-N 3.4Å
519Y94.6Very high91.3Very high8 Ų852.1 Ų52.13%0.03128%0.282CS..G310 helixtrans-10311.9175.1-65.6-90.8000112.3P452 D454 A455 Y510 V515 S516 M521 R575 F576 K578P452-Y519 HydrophobicContact CB-CD1 4.21Å; P452-Y519 HydrophobicContact CB-CE1 3.49Å; P452-Y519 VanDerWaalsContact CB-CE1 3.49Å; P452-Y519 HydrophobicContact CG-CD1 3.86Å; P452-Y519 HydrophobicContact CG-CE1 3.62Å; P452-Y519 HydrophobicContact CG-CE2 4.33Å; P452-Y519 HydrophobicContact CG-CG 4.3Å; D454-Y519 WeakPolarHBondContact OD1-CE1 3.29Å; D454-Y519 PolarHBondContact OD1-OH 3.2Å; D454-Y519 PolarHBondContact OD2-OH 3.04Å; A455-Y519 HydrophobicContact CB-CD1 4.13Å; A455-Y519 HydrophobicContact CB-CE1 4.08Å; Y510-Y519 HydrophobicContact CE1-CD2 4.27Å; Y510-Y519 HydrophobicContact CE1-CG 4.17Å; V515-Y519 HydrophobicContact CG1-CD2 3.92Å; V515-Y519 HydrophobicContact CG1-CE2 3.82Å; V515-Y519 VanDerWaalsContact O-CD2 3.32Å; V515-Y519 WeakPolarHBondContact O-CD2 3.42Å; V515-Y519 PolarHBondContact O-N 3.39Å; S516-Y519 PolarHBondContact O-N 3.41Å; S516-Y519 VanDerWaalsContact O-N 3.14Å; Y519-M521 PolarHBondContact O-N 2.8Å; Y519-R575 CarbonylContact O-C 3.58Å; Y519-R575 WeakPolarHBondContact O-CA 3.16Å; Y519-R575 WeakPolarHBondContact O-CD 3.24Å; Y519-F576 HydrophobicContact CD1-CB 4.16Å; Y519-F576 PolarHBondContact O-N 3.25Å; Y519-K578 HydrophobicContact CD1-CG 4.06Å; Y519-K578 HydrophobicContact CE1-CD 4.12Å; Y519-K578 HydrophobicContact CE1-CG 3.38Å; Y519-K578 HydrophobicContact CE2-CD 4.02Å; Y519-K578 HydrophobicContact CE2-CG 4.2Å; Y519-K578 VanDerWaalsContact CZ-CG 3.5Å; Y519-K578 PolarHBondContact OH-NZ 2.83Å
520V94.2Very high91.4Very high67 Ų6753.4 Ų53.441%0.40629%0.287SS..BIsolated β-bridgetrans-54.1125.6172.6171.30000109.9S516 D517 P522S516-V520 PolarHBondContact O-N 2.85Å; D517-V520 WeakPolarHBondContact O-CG2 3.48Å; V520-P522 WeakPolarHBondContact O-CD 3.44Å
521M93.3Very high91.5Very high10 Ų1053.6 Ų53.65%0.04929%0.288CS..  trans-85.4114.4-175-169.8165.4173.400109.7Y519 F525 I526 H530 C532 I547 L574 F576Y519-M521 PolarHBondContact O-N 2.8Å; M521-F525 HydrophobicContact CE-CB 4.03Å; M521-F525 WeakPolarHBondContact CE-O 3.42Å; M521-F525 HydrophobicContact CG-CB 4.05Å; M521-I526 HydrophobicContact CG-CG1 4.19Å; M521-H530 HydrophobicContact CE-CB 4.04Å; M521-C532 HydrophobicContact CE-CB 4.35Å; M521-C532 HydrophobicContact SD-CB 3.69Å; M521-I547 HydrophobicContact CE-CD1 3.72Å; M521-L574 HydrophobicContact CB-CB 4.19Å; M521-L574 HydrophobicContact SD-CB 4.15Å; M521-L574 HydrophobicContact SD-CD1 4.11Å; M521-F576 HydrophobicContact CG-CD1 4.43Å; M521-F576 HydrophobicContact CG-CE1 4.25Å; M521-F576 HydrophobicContact CG-CZ 4.36Å
522P91.9Very high91.9Very high20 Ų2050.4 Ų50.413%0.1327%0.266CS..  trans-67.7150-179.6-18.932.4000111.7H449 V520 C524 F525 F576H449-P522 HydrophobicContact CB-CG 4.3Å; V520-P522 WeakPolarHBondContact O-CD 3.44Å; P522-C524 PolarHBondContact O-N 2.94Å; P522-F525 HydrophobicContact CB-CD2 4.33Å; P522-F525 HydrophobicContact CG-CD2 4.25Å; P522-F525 PolarHBondContact O-N 2.91Å; P522-F576 VanDerWaalsContact CD-CE2 3.5Å
523E89.8Confident92.3Very high101 Ų10146.6 Ų46.647%0.47225%0.245SC..G310 helixtrans-51.3-35.9-175.8-170.468.2-16000113.6F525 I526 K571E523-F525 PolarHBondContact O-N 3.36Å; E523-I526 PolarHBondContact O-N 3.01Å; E523-K571 IonicContact OE1-NZ 2.88Å; E523-K571 PolarHBondContact OE1-NZ 2.84Å; E523-K571 WeakPolarHBondContact OE2-CD 3.46Å
524C89.7Confident92.6Very high80 Ų8041.1 Ų41.154%0.54122%0.22SC..G310 helixtrans-63.9-22.1177.455.30000114.3P522P522-C524 PolarHBondContact O-N 2.94Å
525F91.5Very high92.8Very high48 Ų4842.3 Ų42.321%0.21122%0.219CC..G310 helixtrans-90.4-11.2172.8-72.2-89.9000113.2I451 P457 M521 P522 E523 Q527 H530 F576I451-F525 HydrophobicContact CD1-CE1 4.2Å; I451-F525 HydrophobicContact CD1-CE2 3.65Å; I451-F525 HydrophobicContact CD1-CZ 3.39Å; P457-F525 HydrophobicContact CB-CD1 4.38Å; P457-F525 HydrophobicContact CB-CE1 3.96Å; M521-F525 HydrophobicContact CE-CB 4.03Å; M521-F525 WeakPolarHBondContact CE-O 3.42Å; M521-F525 HydrophobicContact CG-CB 4.05Å; P522-F525 HydrophobicContact CB-CD2 4.33Å; P522-F525 HydrophobicContact CG-CD2 4.25Å; P522-F525 PolarHBondContact O-N 2.91Å; E523-F525 PolarHBondContact O-N 3.36Å; F525-Q527 VanDerWaalsContact C-N 3.29Å; F525-Q527 PolarHBondContact O-N 3.5Å; F525-H530 PolarHBondContact O-ND1 3.42Å; F525-F576 HydrophobicContact CB-CE1 4.15Å; F525-F576 HydrophobicContact CB-CZ 4.07Å; F525-F576 AromaticContact CD1-CE1 3.89Å; F525-F576 HydrophobicContact CD1-CE1 3.89Å; F525-F576 AromaticContact CD1-CZ 3.92Å; F525-F576 HydrophobicContact CD1-CZ 3.92Å; F525-F576 AromaticContact CD2-CZ 3.83Å; F525-F576 HydrophobicContact CD2-CZ 3.83Å; F525-F576 HydrophobicContact CE1-CE1 4.47Å; F525-F576 HydrophobicContact CE1-CZ 4.34Å; F525-F576 HydrophobicContact CE2-CZ 4.26Å; F525-F576 AromaticContact CG-CE1 3.94Å; F525-F576 HydrophobicContact CG-CE1 3.94Å; F525-F576 AromaticContact CG-CZ 3.65Å; F525-F576 HydrophobicContact CG-CZ 3.65Å; F525-F576 HydrophobicContact CZ-CZ 4.5Å
526I93.5Very high92.4Very high3 Ų343 Ų432%0.01522%0.222CC..  trans-79.379.8-177.8-57.2-175.4000109.3M521 E523 I547 V550 V556 K571 L574M521-I526 HydrophobicContact CG-CG1 4.19Å; E523-I526 PolarHBondContact O-N 3.01Å; I526-I547 HydrophobicContact CB-CD1 4.39Å; I526-I547 HydrophobicContact CG2-CD1 3.96Å; I526-V550 HydrophobicContact CG2-CG2 4.4Å; I526-V550 WeakPolarHBondContact O-CG2 3.1Å; I526-V556 HydrophobicContact CG2-CG1 3.57Å; I526-K571 HydrophobicContact CD1-CB 3.78Å; I526-K571 HydrophobicContact CD1-CD 4.18Å; I526-K571 HydrophobicContact CD1-CG 3.98Å; I526-K571 HydrophobicContact CG2-CD 4.3Å; I526-K571 HydrophobicContact CG2-CG 4.17Å; I526-L574 HydrophobicContact CD1-CD1 4.27Å; I526-L574 HydrophobicContact CG1-CD1 4.25Å; I526-L574 HydrophobicContact CG2-CD1 4.17Å
527Q92.1Very high91.5Very high95 Ų9548 Ų4844%0.44426%0.257SS..  trans-136.3149.2-174-59.6-60.2-34.300111.3F525 G529 H530 I547F525-Q527 VanDerWaalsContact C-N 3.29Å; F525-Q527 PolarHBondContact O-N 3.5Å; Q527-G529 PolarHBondContact O-N 3.16Å; Q527-H530 PolarHBondContact O-N 3.13Å; Q527-I547 WeakPolarHBondContact O-CB 3.47Å
528P93Very high90.4Very high70 Ų7048.1 Ų48.146%0.45525%0.254SS..THydrogen-bonded Turntrans-54.3133.2179.5-28.337.1000114I547P528-I547 CarbonylContact C-O 3.59Å; P528-I547 WeakPolarHBondContact CA-O 3.39Å
529G91.7Very high89.4Confident23 Ų2343.9 Ų43.924%0.23724%0.24CC..THydrogen-bonded Turntrans91.9-6.7178.400000116.1Q527 I547 Y678Q527-G529 PolarHBondContact O-N 3.16Å; G529-I547 PolarHBondContact N-O 3.01Å; G529-Y678 VanDerWaalsContact CA-CD1 3.5Å
530H93.5Very high88.6Confident44 Ų4446.8 Ų46.820%0.20425%0.253CS..  trans-75.5134.5174-68.4152.9000112.5M521 F525 Q527 I546 I547M521-H530 HydrophobicContact CE-CB 4.04Å; F525-H530 PolarHBondContact O-ND1 3.42Å; Q527-H530 PolarHBondContact O-N 3.13Å; H530-I546 WeakPolarHBondContact O-CA 3.42Å; H530-I547 PolarHBondContact O-N 3.48Å
531L95.5Very high88.2Confident5 Ų543.9 Ų43.93%0.02624%0.235CC..EExtended strand (participates in β ladder)trans-87.6120.9179178.167.9000110.2L461 I546 L577 T582L461-L531 HydrophobicContact CB-CD1 4.39Å; L461-L531 HydrophobicContact CB-CD2 4.08Å; L461-L531 HydrophobicContact CD2-CD1 4.33Å; L531-I546 HydrophobicContact CD1-CD1 4.42Å; L531-I546 HydrophobicContact CD1-CG1 3.82Å; L531-L577 HydrophobicContact CD1-CD2 4.31Å; L531-L577 HydrophobicContact CD2-CD2 3.84Å; L531-L577 HydrophobicContact CG-CD2 3.86Å; L531-T582 HydrophobicContact CD2-CG2 3.9Å
532C95.7Very high88.2Confident0 Ų043.8 Ų43.80%023%0.234CC..EExtended strand (participates in β ladder)trans-140.4-173.2-175.549.60000110.5M521 V545 R575M521-C532 HydrophobicContact CE-CB 4.35Å; M521-C532 HydrophobicContact SD-CB 3.69Å; C532-V545 PolarHBondContact N-O 3.45Å; C532-V545 PolarHBondContact O-N 3.45Å; C532-V545 VanDerWaalsContact O-O 3.11Å; C532-R575 CarbonylContact C-O 3.59Å; C532-R575 WeakPolarHBondContact CA-O 3.34Å; C532-R575 VanDerWaalsContact CB-O 3.29Å; C532-R575 WeakPolarHBondContact CB-O 3.15Å
533C96.4Very high88.4Confident0 Ų043.1 Ų43.10%023%0.229CC..EExtended strand (participates in β ladder)trans-131.8157.9167.458.50000112.1M506 Y510 Y543 R575 L577M506-C533 HydrophobicContact CE-CB 3.58Å; Y510-C533 VanDerWaalsContact CZ-SG 3.54Å; C533-Y543 CarbonylContact C-O 3.53Å; C533-Y543 WeakPolarHBondContact CA-O 3.43Å; C533-Y543 WeakPolarHBondContact CB-O 3.19Å; C533-R575 PolarHBondContact N-O 3.45Å; C533-R575 PolarHBondContact O-N 3.09Å; C533-L577 HydrophobicContact CB-CD1 3.83Å
534V95.4Very high88.7Confident0 Ų038.5 Ų38.50%021%0.207CC..EExtended strand (participates in β ladder)trans-141.8146.3-179.169.70000110.3W542 Y543 V545 Y560 V569 S573 L574V534-W542 WeakPolarHBondContact O-CA 3.43Å; V534-Y543 PolarHBondContact N-O 3.31Å; V534-Y543 PolarHBondContact O-N 2.58Å; V534-V545 HydrophobicContact CB-CG2 3.96Å; V534-V545 HydrophobicContact CG1-CB 4.39Å; V534-V545 HydrophobicContact CG1-CG1 3.75Å; V534-V545 HydrophobicContact CG1-CG2 3.72Å; V534-Y560 HydrophobicContact CG1-CE1 4.38Å; V534-V569 HydrophobicContact CG1-CG1 4.49Å; V534-V569 HydrophobicContact CG2-CB 4.17Å; V534-V569 HydrophobicContact CG2-CG1 4.08Å; V534-V569 HydrophobicContact CG2-CG2 4.29Å; V534-S573 VanDerWaalsContact CG2-OG 3.23Å; V534-S573 WeakPolarHBondContact CG2-OG 3.32Å; V534-L574 HydrophobicContact CB-CD2 4.31Å; V534-L574 HydrophobicContact CG2-CD2 4.43Å
535R92.3Very high89Confident96 Ų9634.7 Ų34.736%0.36218%0.181SC..EExtended strand (participates in β ladder)trans-96.7132.3166.5-162-172.765.180.1-2.3109.4D539 W541 W542R535-D539 PolarHBondContact NH1-O 3.36Å; R535-W541 WeakPolarHBondContact CA-O 3.37Å; R535-W541 VanDerWaalsContact CG-O 3.3Å; R535-W541 WeakPolarHBondContact CG-O 3.44Å; R535-W542 HydrophobicContact CB-CD2 3.79Å; R535-W542 HydrophobicContact CB-CE3 4.01Å; R535-W542 HydrophobicContact CB-CG 4.41Å; R535-W542 HydrophobicContact CB-CH2 3.92Å; R535-W542 HydrophobicContact CB-CZ2 3.71Å; R535-W542 HydrophobicContact CB-CZ3 4.05Å; R535-W542 HydrophobicContact CG-CD2 4.31Å; R535-W542 HydrophobicContact CG-CZ2 4.32Å
536I80.3Confident89.2Confident33 Ų3332.5 Ų32.517%0.16917%0.172CC..  trans-87138.3175.3-66.4178.7000109E538 D539 Y543 Y560 L946I536-E538 VanDerWaalsContact C-N 3.29Å; I536-E538 HydrophobicContact CG2-CB 4.36Å; I536-E538 PolarHBondContact O-N 2.73Å; I536-D539 WeakPolarHBondContact CB-OD2 3.4Å; I536-D539 WeakPolarHBondContact CG2-OD2 3.4Å; I536-D539 PolarHBondContact O-N 2.73Å; I536-D539 VanDerWaalsContact O-O 3.05Å; I536-Y543 HydrophobicContact CB-CE2 4.37Å; I536-Y543 HydrophobicContact CD1-CD2 3.73Å; I536-Y543 HydrophobicContact CD1-CE2 3.71Å; I536-Y543 HydrophobicContact CD1-CG 4.42Å; I536-Y543 HydrophobicContact CG1-CD2 3.95Å; I536-Y543 HydrophobicContact CG1-CE2 4.1Å; I536-Y560 HydrophobicContact CD1-CE1 4.04Å; I536-L946 HydrophobicContact CD1-CB 4.49Å; I536-L946 HydrophobicContact CD1-CD1 3.3Å; I536-L946 HydrophobicContact CD1-CG 4.46Å
537S72.9Confident89.3Confident110 Ų11032.4 Ų32.477%0.76917%0.171SC*.THydrogen-bonded Turntrans-67.1-28.3-173.8-64.10000113.8D539S537-D539 VanDerWaalsContact C-N 3.29Å; S537-D539 PolarHBondContact O-N 2.88Å
538E68.2Low89.4Confident88 Ų8829.2 Ų29.241%0.41116%0.156SC..THydrogen-bonded Turntrans-77.8-9.3-178.9-59.9-168.2-165.700114.2S2 I536S2-E538 WeakPolarHBondContact CB-O 2.91Å; S2-E538 PolarHBondContact OG-O 2.74Å; I536-E538 VanDerWaalsContact C-N 3.29Å; I536-E538 HydrophobicContact CG2-CB 4.36Å; I536-E538 PolarHBondContact O-N 2.73Å
539D72.6Confident89.4Confident20 Ų2031.8 Ų31.811%0.10716%0.157CC..SBendtrans-142.3-178.4-174.167.858.9000113.1R535 I536 S537 W541R535-D539 PolarHBondContact NH1-O 3.36Å; I536-D539 WeakPolarHBondContact CB-OD2 3.4Å; I536-D539 WeakPolarHBondContact CG2-OD2 3.4Å; I536-D539 PolarHBondContact O-N 2.73Å; I536-D539 VanDerWaalsContact O-O 3.05Å; S537-D539 VanDerWaalsContact C-N 3.29Å; S537-D539 PolarHBondContact O-N 2.88Å; D539-W541 WeakPolarHBondContact OD1-CA 3.44Å; D539-W541 WeakPolarHBondContact OD1-CB 3.45Å; D539-W541 PolarHBondContact OD1-N 3.36Å
540K76Confident89.5Confident70 Ų7033.2 Ų33.230%0.30416%0.161SC..SBendtrans-104.113-179.9-73.5-178.5167.8174.40113.2D59 R507D59-K540 IonicContact OD1-NZ 3.47Å; D59-K540 IonicContact OD2-NZ 3.49Å; D59-K540 PolarHBondContact OD2-NZ 3.35Å; R507-K540 WeakPolarHBondContact CD-O 3.23Å; R507-K540 WeakPolarHBondContact CG-O 3.44Å
541W87.4Confident89.4Confident5 Ų533.9 Ų33.92%0.01917%0.165CC..  trans-105.5151.6-167.6-65.199000113.2Q4 R46 M503 I504 R507 R535 D539 Y543 I948Q4-W541 VanDerWaalsContact OE1-CD1 3.24Å; Q4-W541 VanDerWaalsContact OE1-NE1 3.15Å; R46-W541 WeakPolarHBondContact O-CH2 3.39Å; M503-W541 HydrophobicContact CB-CE3 3.86Å; M503-W541 HydrophobicContact CB-CZ3 3.74Å; M503-W541 HydrophobicContact CE-CB 4.37Å; M503-W541 HydrophobicContact CE-CD2 4.36Å; M503-W541 HydrophobicContact CE-CE3 4.12Å; I504-W541 HydrophobicContact CG1-CH2 3.83Å; I504-W541 HydrophobicContact CG1-CZ3 3.81Å; R507-W541 HydrophobicContact CB-CE3 4.4Å; R535-W541 WeakPolarHBondContact CA-O 3.37Å; R535-W541 VanDerWaalsContact CG-O 3.3Å; R535-W541 WeakPolarHBondContact CG-O 3.44Å; D539-W541 WeakPolarHBondContact OD1-CA 3.44Å; D539-W541 WeakPolarHBondContact OD1-CB 3.45Å; D539-W541 PolarHBondContact OD1-N 3.36Å; W541-Y543 HydrophobicContact CB-CD2 4.37Å; W541-Y543 HydrophobicContact CB-CE2 3.58Å; W541-I948 HydrophobicContact CD2-CD1 3.85Å; W541-I948 HydrophobicContact CG-CD1 4.08Å; W541-I948 HydrophobicContact CH2-CD1 4.26Å; W541-I948 HydrophobicContact CZ2-CD1 3.46Å; W541-I948 VanDerWaalsContact CZ2-CD1 3.46Å
542W93.3Very high88.8Confident9 Ų940.9 Ų40.93%0.03420%0.198CC..EExtended strand (participates in β ladder)trans-113.2119176.9-75.182.1000108.7M506 Y510 S511 V534 R535 R575M506-W542 HydrophobicContact CB-CB 4.16Å; M506-W542 HydrophobicContact CE-CB 4.15Å; M506-W542 WeakPolarHBondContact CE-O 3.39Å; Y510-W542 VanDerWaalsContact CB-CD2 3.45Å; Y510-W542 HydrophobicContact CD2-CB 4.24Å; Y510-W542 HydrophobicContact CD2-CD2 4.12Å; Y510-W542 HydrophobicContact CD2-CE3 4.25Å; Y510-W542 HydrophobicContact CD2-CG 4.14Å; Y510-W542 HydrophobicContact CG-CD2 4.1Å; Y510-W542 HydrophobicContact CG-CE3 4.18Å; Y510-W542 HydrophobicContact CG-CG 4.49Å; Y510-W542 WeakPolarHBondContact O-CZ2 3.3Å; S511-W542 PolarHBondContact OG-NE1 3.11Å; V534-W542 WeakPolarHBondContact O-CA 3.43Å; R535-W542 HydrophobicContact CB-CD2 3.79Å; R535-W542 HydrophobicContact CB-CE3 4.01Å; R535-W542 HydrophobicContact CB-CG 4.41Å; R535-W542 HydrophobicContact CB-CH2 3.92Å; R535-W542 HydrophobicContact CB-CZ2 3.71Å; R535-W542 HydrophobicContact CB-CZ3 4.05Å; R535-W542 HydrophobicContact CG-CD2 4.31Å; R535-W542 HydrophobicContact CG-CZ2 4.32Å; W542-R575 HydrophobicContact CH2-CG 3.68Å; W542-R575 HydrophobicContact CZ3-CB 4.11Å; W542-R575 HydrophobicContact CZ3-CG 3.45Å; W542-R575 VanDerWaalsContact CZ3-CG 3.45Å
543Y95.3Very high88.2Confident5 Ų549.6 Ų49.62%0.0224%0.236CC..EExtended strand (participates in β ladder)trans-102142.5-175.2-65.3-92.4000109.8M503 C533 V534 I536 W541 Y560 F563 L946M503-Y543 HydrophobicContact CE-CD1 4.11Å; M503-Y543 HydrophobicContact CE-CE1 3.61Å; C533-Y543 CarbonylContact C-O 3.53Å; C533-Y543 WeakPolarHBondContact CA-O 3.43Å; C533-Y543 WeakPolarHBondContact CB-O 3.19Å; V534-Y543 PolarHBondContact N-O 3.31Å; V534-Y543 PolarHBondContact O-N 2.58Å; I536-Y543 HydrophobicContact CB-CE2 4.37Å; I536-Y543 HydrophobicContact CD1-CD2 3.73Å; I536-Y543 HydrophobicContact CD1-CE2 3.71Å; I536-Y543 HydrophobicContact CD1-CG 4.42Å; I536-Y543 HydrophobicContact CG1-CD2 3.95Å; I536-Y543 HydrophobicContact CG1-CE2 4.1Å; W541-Y543 HydrophobicContact CB-CD2 4.37Å; W541-Y543 HydrophobicContact CB-CE2 3.58Å; Y543-Y560 HydrophobicContact CD1-CD1 4.34Å; Y543-Y560 HydrophobicContact CD1-CE1 4.48Å; Y543-Y560 HydrophobicContact CG-CD1 4.28Å; Y543-Y560 HydrophobicContact CG-CE1 4.07Å; Y543-F563 HydrophobicContact CD1-CD2 4.17Å; Y543-F563 AromaticContact CD1-CE2 3.64Å; Y543-F563 HydrophobicContact CD1-CE2 3.64Å; Y543-F563 HydrophobicContact CD1-CZ 4.3Å; Y543-F563 HydrophobicContact CE1-CD2 4.45Å; Y543-F563 AromaticContact CE1-CE2 3.79Å; Y543-F563 HydrophobicContact CE1-CE2 3.79Å; Y543-F563 AromaticContact CE1-CZ 4Å; Y543-F563 HydrophobicContact CE1-CZ 4Å; Y543-L946 HydrophobicContact CD1-CD1 4.2Å; Y543-L946 HydrophobicContact CE1-CB 4.18Å; Y543-L946 HydrophobicContact CE1-CD1 4.03Å; Y543-L946 HydrophobicContact CE1-CD2 4.09Å; Y543-L946 HydrophobicContact CE1-CG 4.33Å
544R96.5Very high87.9Confident5 Ų554.8 Ų54.82%0.01926%0.26CS..EExtended strand (participates in β ladder)trans-72.6136.3163.5-57.6-168-59.8-176.62.1108.1M502 M506 P561 D562 L577 Y581 L584 P585M502-R544 HydrophobicContact CE-CG 3.84Å; M506-R544 HydrophobicContact CE-CG 3.98Å; M506-R544 HydrophobicContact SD-CG 3.82Å; R544-P561 HydrophobicContact CB-CG 4.46Å; R544-P561 WeakPolarHBondContact O-CD 3.11Å; R544-D562 IonicContact CZ-OD1 3.74Å; R544-D562 IonicContact CZ-OD2 2.73Å; R544-D562 IonicContact NE-OD1 3.42Å; R544-D562 IonicContact NE-OD2 3.76Å; R544-D562 PolarHBondContact NE-OD2 3.01Å; R544-D562 VanDerWaalsContact NH2-CG 3.27Å; R544-D562 IonicContact NH2-OD1 3.27Å; R544-D562 PolarHBondContact NH2-OD1 2.88Å; R544-D562 IonicContact NH2-OD2 3.65Å; R544-D562 PolarHBondContact NH2-OD2 3.23Å; R544-L577 HydrophobicContact CG-CD1 4.09Å; R544-L577 HydrophobicContact CG-CD2 4.31Å; R544-Y581 WeakPolarHBondContact CD-O 3.11Å; R544-Y581 PolarHBondContact NH1-O 3.01Å; R544-L584 PolarHBondContact NH1-O 2.73Å; R544-L584 PolarHBondContact NH2-O 2.78Å; R544-P585 PolarHBondContact NH2-O 3.22Å
545V96.5Very high87.8Confident0 Ų057.9 Ų57.90%028%0.275CS..EExtended strand (participates in β ladder)trans-142.9153.4-177.6-82.80000110.8C532 V534 V558 F559 Y560C532-V545 PolarHBondContact N-O 3.45Å; C532-V545 PolarHBondContact O-N 3.45Å; C532-V545 VanDerWaalsContact O-O 3.11Å; V534-V545 HydrophobicContact CB-CG2 3.96Å; V534-V545 HydrophobicContact CG1-CB 4.39Å; V534-V545 HydrophobicContact CG1-CG1 3.75Å; V534-V545 HydrophobicContact CG1-CG2 3.72Å; V545-V558 HydrophobicContact CB-CB 3.94Å; V545-V558 HydrophobicContact CB-CG1 4.22Å; V545-V558 HydrophobicContact CB-CG2 4.34Å; V545-V558 HydrophobicContact CG1-CB 4Å; V545-V558 HydrophobicContact CG1-CG2 3.9Å; V545-F559 WeakPolarHBondContact CA-O 3.48Å; V545-Y560 HydrophobicContact CG1-CD1 3.56Å; V545-Y560 HydrophobicContact CG1-CD2 4.32Å; V545-Y560 HydrophobicContact CG1-CE1 3.47Å; V545-Y560 VanDerWaalsContact CG1-CE1 3.47Å; V545-Y560 HydrophobicContact CG1-CE2 4.24Å; V545-Y560 HydrophobicContact CG1-CG 3.99Å
546I95.8Very high88Confident2 Ų253.3 Ų53.31%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-122128.8173.1-55.8175.7000107.6H530 L531 H548 V558 F559 P561 Y678 T679H530-I546 WeakPolarHBondContact O-CA 3.42Å; L531-I546 HydrophobicContact CD1-CD1 4.42Å; L531-I546 HydrophobicContact CD1-CG1 3.82Å; I546-H548 PolarHBondContact O-N 2.98Å; I546-V558 CarbonylContact O-C 3.55Å; I546-V558 WeakPolarHBondContact O-CA 3.32Å; I546-F559 PolarHBondContact N-O 2.95Å; I546-F559 PolarHBondContact O-N 2.86Å; I546-P561 HydrophobicContact CD1-CB 4.26Å; I546-P561 HydrophobicContact CD1-CG 4.2Å; I546-P561 HydrophobicContact CG1-CG 4.22Å; I546-Y678 HydrophobicContact CG2-CD1 4.16Å; I546-Y678 HydrophobicContact CG2-CD2 3.88Å; I546-Y678 HydrophobicContact CG2-CE2 4.48Å; I546-Y678 HydrophobicContact CG2-CG 3.71Å; I546-T679 HydrophobicContact CD1-CG2 4.45Å
547I95.3Very high88.7Confident0 Ų052.8 Ų52.80%025%0.254CS..EExtended strand (participates in β ladder)trans-63.2120177.8-58.2174.4000108.6M521 I526 Q527 P528 G529 H530 V550 L574M521-I547 HydrophobicContact CE-CD1 3.72Å; I526-I547 HydrophobicContact CB-CD1 4.39Å; I526-I547 HydrophobicContact CG2-CD1 3.96Å; Q527-I547 WeakPolarHBondContact O-CB 3.47Å; P528-I547 CarbonylContact C-O 3.59Å; P528-I547 WeakPolarHBondContact CA-O 3.39Å; G529-I547 PolarHBondContact N-O 3.01Å; H530-I547 PolarHBondContact O-N 3.48Å; I547-V550 HydrophobicContact CG2-CG2 4.43Å; I547-L574 HydrophobicContact CD1-CD1 3.9Å; I547-L574 HydrophobicContact CG1-CD1 4.26Å
548H93.6Very high89.8Confident28 Ų2847.5 Ų47.513%0.1322%0.218CC..EExtended strand (participates in β ladder)trans-90.7-52.8-179.9-173.624000111.1I546 E557 Y678I546-H548 PolarHBondContact O-N 2.98Å; H548-E557 IonicContact CD2-OE2 3.85Å; H548-E557 PolarHBondContact CD2-OE2 3.14Å; H548-E557 IonicContact CG-OE2 2.69Å; H548-E557 PolarHBondContact N-O 3.03Å; H548-Y678 AromaticContact ND1-CE2 3.68Å; H548-Y678 AromaticContact ND1-CZ 3.72Å; H548-Y678 PolarHBondContact ND1-OH 2.84Å; H548-Y678 PolarHBondContact O-OH 3.12Å
549R93.7Very high91.1Very high124 Ų12443.3 Ų43.347%0.46820%0.198SC..EExtended strand (participates in β ladder)trans-144.7145.5172.452.3177.9167.7163.71.6110.5L551 E557R549-L551 HydrophobicContact CG-CD2 3.94Å; R549-E557 HydrophobicContact CG-CB 3.65Å; R549-E557 HydrophobicContact CG-CG 4.49Å; R549-E557 WeakPolarHBondContact CG-OE2 3.05Å; R549-E557 IonicContact CZ-OE1 3Å; R549-E557 IonicContact CZ-OE2 2.88Å; R549-E557 PolarHBondContact N-O 2.74Å; R549-E557 IonicContact NE-OE1 2.74Å; R549-E557 PolarHBondContact NE-OE1 2.91Å; R549-E557 IonicContact NE-OE2 2.65Å; R549-E557 PolarHBondContact NE-OE2 3.25Å; R549-E557 IonicContact NH2-OE1 2.66Å; R549-E557 PolarHBondContact NH2-OE1 3.1Å; R549-E557 IonicContact NH2-OE2 2.77Å; R549-E557 PolarHBondContact NH2-OE2 2.8Å; R549-E557 PolarHBondContact O-N 3.36Å
550V93.2Very high92.2Very high54 Ų5442.8 Ų42.833%0.32720%0.195SC..EExtended strand (participates in β ladder)trans-81.5132.6165.6-178.90000107.6I526 I547 V556I526-V550 HydrophobicContact CG2-CG2 4.4Å; I526-V550 WeakPolarHBondContact O-CG2 3.1Å; I547-V550 HydrophobicContact CG2-CG2 4.43Å; V550-V556 HydrophobicContact CB-CG1 4.41Å; V550-V556 HydrophobicContact CG1-CG1 4.24Å; V550-V556 HydrophobicContact CG2-CG1 4.17Å
551L90.4Very high93.1Very high57 Ų5739.5 Ų39.530%0.29818%0.18SC..  trans-100.5-123.8-179.3-61.3177000108.7R549 E555 E557 I568R549-L551 HydrophobicContact CG-CD2 3.94Å; L551-E555 HydrophobicContact CB-CB 4.24Å; L551-E555 PolarHBondContact N-O 2.59Å; L551-E557 HydrophobicContact CD1-CB 4.22Å; L551-E557 HydrophobicContact CG-CB 4.4Å; L551-I568 HydrophobicContact CD1-CD1 3.8Å; L551-I568 HydrophobicContact CD1-CG1 3.87Å; L551-I568 HydrophobicContact CD1-CG2 3.96Å
552E83.4Confident93.5Very high153 Ų15339.4 Ų39.472%0.71518%0.18SC*.SBendtrans-69.5-176.1176.2-59.7-160.9177.900113.1Q554 E555 K571E552-Q554 PolarHBondContact O-N 3.47Å; E552-Q554 VanDerWaalsContact O-N 3.07Å; E552-E555 PolarHBondContact O-N 3.34Å; E552-K571 PolarHBondContact O-NZ 3.45Å
553K82.6Confident93.4Very high183 Ų18339.5 Ų39.580%0.79618%0.181SC*.SBendtrans-54.8-31.2-177.4-70.7-177.4178.3176.50113.9K571K553-K571 WeakPolarHBondContact O-CE 3.16Å; K553-K571 PolarHBondContact O-NZ 3.3Å
554Q91.1Very high93.3Very high109 Ų10939.3 Ų39.351%0.50918%0.18SC..SBendtrans-116.1-4.7-177.1-67.7-59-36.500115E552 Q570 K571E552-Q554 PolarHBondContact O-N 3.47Å; E552-Q554 VanDerWaalsContact O-N 3.07Å; Q554-Q570 CarbonylContact O-C 3.51Å; Q554-Q570 WeakPolarHBondContact O-CA 3.18Å; Q554-Q570 PolarHBondContact O-OE1 3.49Å; Q554-K571 WeakPolarHBondContact O-CG 3.33Å; Q554-K571 PolarHBondContact O-N 3.04Å
555E94.2Very high93.1Very high65 Ų6539.7 Ų39.730%0.30418%0.183SC..EExtended strand (participates in β ladder)trans-117.7149.7-173.7-62.4-162.3160.300112.8L551 E552 I568 Q570L551-E555 HydrophobicContact CB-CB 4.24Å; L551-E555 PolarHBondContact N-O 2.59Å; E552-E555 PolarHBondContact O-N 3.34Å; E555-I568 HydrophobicContact CB-CG2 4.17Å; E555-Q570 PolarHBondContact OE1-NE2 2.82Å
556V95Very high92.9Very high0 Ų042.1 Ų42.10%020%0.195CC..EExtended strand (participates in β ladder)trans-137.9149.3172.2-65.10000109.4I526 V550 V558 I568 V569 K571 L574I526-V556 HydrophobicContact CG2-CG1 3.57Å; V550-V556 HydrophobicContact CB-CG1 4.41Å; V550-V556 HydrophobicContact CG1-CG1 4.24Å; V550-V556 HydrophobicContact CG2-CG1 4.17Å; V556-V558 HydrophobicContact CG2-CG1 4.2Å; V556-I568 WeakPolarHBondContact O-CA 3.47Å; V556-V569 HydrophobicContact CG2-CG2 3.65Å; V556-V569 PolarHBondContact N-O 2.78Å; V556-V569 PolarHBondContact O-N 2.98Å; V556-K571 HydrophobicContact CG1-CD 4.34Å; V556-K571 HydrophobicContact CG1-CG 3.73Å; V556-L574 HydrophobicContact CG2-CD1 4.14Å
557E95.5Very high92.8Very high21 Ų2143 Ų4310%0.09821%0.205CC..EExtended strand (participates in β ladder)trans-94.3135.9165.9-169-179.9-106.200109.8H548 R549 L551 I566 G567 I568H548-E557 IonicContact CD2-OE2 3.85Å; H548-E557 PolarHBondContact CD2-OE2 3.14Å; H548-E557 IonicContact CG-OE2 2.69Å; H548-E557 PolarHBondContact N-O 3.03Å; R549-E557 HydrophobicContact CG-CB 3.65Å; R549-E557 HydrophobicContact CG-CG 4.49Å; R549-E557 WeakPolarHBondContact CG-OE2 3.05Å; R549-E557 IonicContact CZ-OE1 3Å; R549-E557 IonicContact CZ-OE2 2.88Å; R549-E557 PolarHBondContact N-O 2.74Å; R549-E557 IonicContact NE-OE1 2.74Å; R549-E557 PolarHBondContact NE-OE1 2.91Å; R549-E557 IonicContact NE-OE2 2.65Å; R549-E557 PolarHBondContact NE-OE2 3.25Å; R549-E557 IonicContact NH2-OE1 2.66Å; R549-E557 PolarHBondContact NH2-OE1 3.1Å; R549-E557 IonicContact NH2-OE2 2.77Å; R549-E557 PolarHBondContact NH2-OE2 2.8Å; R549-E557 PolarHBondContact O-N 3.36Å; L551-E557 HydrophobicContact CD1-CB 4.22Å; L551-E557 HydrophobicContact CG-CB 4.4Å; E557-I566 HydrophobicContact CG-CG2 3.26Å; E557-G567 CarbonylContact C-O 3.16Å; E557-G567 WeakPolarHBondContact CA-O 3.31Å; E557-I568 HydrophobicContact CG-CG1 4.48Å
558V95.6Very high92.7Very high0 Ų047.6 Ų47.60%023%0.228CC..EExtended strand (participates in β ladder)trans-124.9140.2-178.3-71.20000111.3V545 I546 V556 Y560 I566 G567 V569 L574V545-V558 HydrophobicContact CB-CB 3.94Å; V545-V558 HydrophobicContact CB-CG1 4.22Å; V545-V558 HydrophobicContact CB-CG2 4.34Å; V545-V558 HydrophobicContact CG1-CB 4Å; V545-V558 HydrophobicContact CG1-CG2 3.9Å; I546-V558 CarbonylContact O-C 3.55Å; I546-V558 WeakPolarHBondContact O-CA 3.32Å; V556-V558 HydrophobicContact CG2-CG1 4.2Å; V558-Y560 HydrophobicContact CG2-CE2 3.82Å; V558-I566 CarbonylContact O-C 3.57Å; V558-I566 WeakPolarHBondContact O-CA 3.5Å; V558-G567 WeakPolarHBondContact CG2-O 3.27Å; V558-G567 PolarHBondContact N-O 3.09Å; V558-G567 PolarHBondContact O-N 3.38Å; V558-V569 HydrophobicContact CG1-CG2 3.87Å; V558-V569 HydrophobicContact CG2-CG1 3.92Å; V558-V569 HydrophobicContact CG2-CG2 3.82Å; V558-L574 HydrophobicContact CG1-CD2 4.38Å
559F95.7Very high92.7Very high0 Ų047 Ų470%023%0.227CC..EExtended strand (participates in β ladder)trans-91.8138168.2172-112.7000109.8Y487 V545 I546 P561 G564 N565 I566 P674 L675Y487-F559 HydrophobicContact CE1-CE2 4.43Å; Y487-F559 HydrophobicContact CE1-CZ 4.43Å; V545-F559 WeakPolarHBondContact CA-O 3.48Å; I546-F559 PolarHBondContact N-O 2.95Å; I546-F559 PolarHBondContact O-N 2.86Å; F559-P561 HydrophobicContact CD1-CB 4.39Å; F559-P561 HydrophobicContact CE1-CB 4Å; F559-P561 WeakPolarHBondContact O-CD 3.31Å; F559-G564 WeakPolarHBondContact CE2-O 3.44Å; F559-N565 WeakPolarHBondContact CD2-O 3.5Å; F559-I566 HydrophobicContact CB-CG1 4.49Å; F559-I566 HydrophobicContact CD2-CG1 4Å; F559-P674 HydrophobicContact CB-CB 4.27Å; F559-P674 HydrophobicContact CD1-CB 3.97Å; F559-P674 HydrophobicContact CD2-CB 3.63Å; F559-P674 HydrophobicContact CD2-CG 4.14Å; F559-P674 HydrophobicContact CE1-CB 4.18Å; F559-P674 HydrophobicContact CE2-CB 3.86Å; F559-P674 HydrophobicContact CE2-CG 4.34Å; F559-P674 HydrophobicContact CG-CB 3.68Å; F559-P674 HydrophobicContact CZ-CB 4.14Å; F559-L675 HydrophobicContact CE1-CB 4.24Å; F559-L675 HydrophobicContact CE1-CD1 3.94Å; F559-L675 HydrophobicContact CZ-CB 4.09Å; F559-L675 HydrophobicContact CZ-CD1 4.19Å
560Y96Very high92.7Very high9 Ų944.9 Ų44.94%0.03522%0.222CC..  trans-10092.6179.4-69.2-99.2000109.9V534 I536 Y543 V545 V558 D562 F563 G564 N565 L946V534-Y560 HydrophobicContact CG1-CE1 4.38Å; I536-Y560 HydrophobicContact CD1-CE1 4.04Å; Y543-Y560 HydrophobicContact CD1-CD1 4.34Å; Y543-Y560 HydrophobicContact CD1-CE1 4.48Å; Y543-Y560 HydrophobicContact CG-CD1 4.28Å; Y543-Y560 HydrophobicContact CG-CE1 4.07Å; V545-Y560 HydrophobicContact CG1-CD1 3.56Å; V545-Y560 HydrophobicContact CG1-CD2 4.32Å; V545-Y560 HydrophobicContact CG1-CE1 3.47Å; V545-Y560 VanDerWaalsContact CG1-CE1 3.47Å; V545-Y560 HydrophobicContact CG1-CE2 4.24Å; V545-Y560 HydrophobicContact CG1-CG 3.99Å; V558-Y560 HydrophobicContact CG2-CE2 3.82Å; Y560-D562 PolarHBondContact O-N 2.8Å; Y560-F563 PolarHBondContact O-N 3.48Å; Y560-G564 PolarHBondContact O-N 2.8Å; Y560-N565 WeakPolarHBondContact CB-OD1 3.46Å; Y560-N565 WeakPolarHBondContact CD2-ND2 3.35Å; Y560-N565 PolarHBondContact N-O 2.77Å; Y560-L946 HydrophobicContact CD1-CD1 3.91Å; Y560-L946 HydrophobicContact CE1-CD1 3.67Å
561P95.6Very high92.8Very high0 Ų043 Ų430%021%0.209CC..THydrogen-bonded Turntrans-62.8-9.9-172.926-37.6000115.7L461 R544 I546 F559 A586 Q587 A588 L675L461-P561 HydrophobicContact CD2-CB 3.92Å; L461-P561 HydrophobicContact CD2-CG 3.85Å; R544-P561 HydrophobicContact CB-CG 4.46Å; R544-P561 WeakPolarHBondContact O-CD 3.11Å; I546-P561 HydrophobicContact CD1-CB 4.26Å; I546-P561 HydrophobicContact CD1-CG 4.2Å; I546-P561 HydrophobicContact CG1-CG 4.22Å; F559-P561 HydrophobicContact CD1-CB 4.39Å; F559-P561 HydrophobicContact CE1-CB 4Å; F559-P561 WeakPolarHBondContact O-CD 3.31Å; P561-A586 HydrophobicContact CB-CB 3.91Å; P561-Q587 PolarHBondContact O-N 2.9Å; P561-A588 WeakPolarHBondContact O-CB 2.92Å; P561-A588 PolarHBondContact O-N 2.84Å; P561-L675 HydrophobicContact CB-CD1 4.47Å
562D94.7Very high92.9Very high4 Ų444.1 Ų44.12%0.02122%0.222CC..THydrogen-bonded Turntrans-101.1-10.2178.4-63.3-46.1000114.1L499 R544 Y560 Q587L499-D562 HydrophobicContact CD1-CB 3.99Å; L499-D562 HydrophobicContact CD2-CB 4.13Å; R544-D562 IonicContact CZ-OD1 3.74Å; R544-D562 IonicContact CZ-OD2 2.73Å; R544-D562 IonicContact NE-OD1 3.42Å; R544-D562 IonicContact NE-OD2 3.76Å; R544-D562 PolarHBondContact NE-OD2 3.01Å; R544-D562 VanDerWaalsContact NH2-CG 3.27Å; R544-D562 IonicContact NH2-OD1 3.27Å; R544-D562 PolarHBondContact NH2-OD1 2.88Å; R544-D562 IonicContact NH2-OD2 3.65Å; R544-D562 PolarHBondContact NH2-OD2 3.23Å; Y560-D562 PolarHBondContact O-N 2.8Å; D562-Q587 HydrophobicContact CB-CB 4.23Å; D562-Q587 PolarHBondContact OD1-N 2.84Å
563F92.3Very high93.3Very high10 Ų1038.3 Ų38.34%0.04420%0.198CC..THydrogen-bonded Turntrans-130.1-19.5-176.8-61.1-87.1000113.6E478 L499 M503 Y543 Y560 N565 L946E478-F563 WeakPolarHBondContact CB-O 3.44Å; L499-F563 HydrophobicContact CD2-CZ 4.25Å; M503-F563 HydrophobicContact CE-CZ 4.18Å; M503-F563 HydrophobicContact SD-CE2 4.32Å; M503-F563 HydrophobicContact SD-CZ 3.91Å; Y543-F563 HydrophobicContact CD1-CD2 4.17Å; Y543-F563 AromaticContact CD1-CE2 3.64Å; Y543-F563 HydrophobicContact CD1-CE2 3.64Å; Y543-F563 HydrophobicContact CD1-CZ 4.3Å; Y543-F563 HydrophobicContact CE1-CD2 4.45Å; Y543-F563 AromaticContact CE1-CE2 3.79Å; Y543-F563 HydrophobicContact CE1-CE2 3.79Å; Y543-F563 AromaticContact CE1-CZ 4Å; Y543-F563 HydrophobicContact CE1-CZ 4Å; Y560-F563 PolarHBondContact O-N 3.48Å; F563-N565 VanDerWaalsContact C-N 3.27Å; F563-N565 WeakPolarHBondContact CB-OD1 3.34Å; F563-N565 PolarHBondContact O-N 3.08Å; F563-L946 HydrophobicContact CB-CD2 3.91Å; F563-L946 HydrophobicContact CD1-CD2 3.68Å; F563-L946 HydrophobicContact CD2-CD2 3.92Å; F563-L946 HydrophobicContact CE1-CD2 4.2Å; F563-L946 HydrophobicContact CE2-CD2 4.43Å; F563-L946 HydrophobicContact CG-CD2 3.53Å
564G92.3Very high93.9Very high1 Ų129.6 Ų29.61%0.0116%0.161CC..  trans83.4-9.7174.800000115.5Y487 F559 Y560Y487-G564 WeakPolarHBondContact CE2-O 3.26Å; F559-G564 WeakPolarHBondContact CE2-O 3.44Å; Y560-G564 PolarHBondContact O-N 2.8Å
565N92.3Very high94.2Very high13 Ų1325.6 Ų25.67%0.0714%0.141CC..  trans-77.8168.6174.573.6-68.5000112.4Y479 F559 Y560 F563Y479-N565 HydrophobicContact CD1-CB 4.06Å; Y479-N565 HydrophobicContact CD2-CB 3.61Å; Y479-N565 HydrophobicContact CE1-CB 4.36Å; Y479-N565 HydrophobicContact CE2-CB 3.96Å; Y479-N565 HydrophobicContact CG-CB 3.69Å; F559-N565 WeakPolarHBondContact CD2-O 3.5Å; Y560-N565 WeakPolarHBondContact CB-OD1 3.46Å; Y560-N565 WeakPolarHBondContact CD2-ND2 3.35Å; Y560-N565 PolarHBondContact N-O 2.77Å; F563-N565 VanDerWaalsContact C-N 3.27Å; F563-N565 WeakPolarHBondContact CB-OD1 3.34Å; F563-N565 PolarHBondContact O-N 3.08Å
566I93.2Very high94.3Very high52 Ų5222.7 Ų22.727%0.26713%0.127SC..EExtended strand (participates in β ladder)trans-120.9147.8173.5-63.5173.4000107.2E557 V558 F559 P674E557-I566 HydrophobicContact CG-CG2 3.26Å; V558-I566 CarbonylContact O-C 3.57Å; V558-I566 WeakPolarHBondContact O-CA 3.5Å; F559-I566 HydrophobicContact CB-CG1 4.49Å; F559-I566 HydrophobicContact CD2-CG1 4Å; I566-P674 HydrophobicContact CD1-CG 4.11Å
567G92.4Very high94.3Very high20 Ų2022.7 Ų22.721%0.20613%0.127CC..EExtended strand (participates in β ladder)trans-156.1162.4177.600000113E557 V558E557-G567 CarbonylContact C-O 3.16Å; E557-G567 WeakPolarHBondContact CA-O 3.31Å; V558-G567 WeakPolarHBondContact CG2-O 3.27Å; V558-G567 PolarHBondContact N-O 3.09Å; V558-G567 PolarHBondContact O-N 3.38Å
568I94.4Very high94.3Very high96 Ų9622.3 Ų22.349%0.49213%0.125SC..EExtended strand (participates in β ladder)trans-99.4134.2179.6-60.3175.6000109.5L551 E555 V556 E557L551-I568 HydrophobicContact CD1-CD1 3.8Å; L551-I568 HydrophobicContact CD1-CG1 3.87Å; L551-I568 HydrophobicContact CD1-CG2 3.96Å; E555-I568 HydrophobicContact CB-CG2 4.17Å; V556-I568 WeakPolarHBondContact O-CA 3.47Å; E557-I568 HydrophobicContact CG-CG1 4.48Å
569V93.9Very high94.2Very high17 Ų1725.2 Ų25.210%0.10315%0.145CC..EExtended strand (participates in β ladder)trans-137.2152.7178.8-59.30000111.6V534 V556 V558 L574V534-V569 HydrophobicContact CG1-CG1 4.49Å; V534-V569 HydrophobicContact CG2-CB 4.17Å; V534-V569 HydrophobicContact CG2-CG1 4.08Å; V534-V569 HydrophobicContact CG2-CG2 4.29Å; V556-V569 HydrophobicContact CG2-CG2 3.65Å; V556-V569 PolarHBondContact N-O 2.78Å; V556-V569 PolarHBondContact O-N 2.98Å; V558-V569 HydrophobicContact CG1-CG2 3.87Å; V558-V569 HydrophobicContact CG2-CG1 3.92Å; V558-V569 HydrophobicContact CG2-CG2 3.82Å; V569-L574 HydrophobicContact CG2-CD2 3.93Å
570Q93.8Very high94Very high79 Ų7927.3 Ų27.337%0.36916%0.159SC..EExtended strand (participates in β ladder)trans-71.4136.5174.5-62.1-63.2-37.800110.2Q554 E555 S572 S573Q554-Q570 CarbonylContact O-C 3.51Å; Q554-Q570 WeakPolarHBondContact O-CA 3.18Å; Q554-Q570 PolarHBondContact O-OE1 3.49Å; E555-Q570 PolarHBondContact OE1-NE2 2.82Å; Q570-S572 PolarHBondContact O-N 3.42Å; Q570-S573 WeakPolarHBondContact O-CB 3.44Å; Q570-S573 PolarHBondContact O-N 3.42Å; Q570-S573 PolarHBondContact O-OG 2.88Å
571K94.1Very high93.9Very high13 Ų1327.5 Ų27.56%0.05716%0.16CC..G310 helixtrans-53.3-40.4177.4-72.8-179.3-172.4177.70112.9E523 I526 E552 K553 Q554 V556 S573 L574E523-K571 IonicContact OE1-NZ 2.88Å; E523-K571 PolarHBondContact OE1-NZ 2.84Å; E523-K571 WeakPolarHBondContact OE2-CD 3.46Å; I526-K571 HydrophobicContact CD1-CB 3.78Å; I526-K571 HydrophobicContact CD1-CD 4.18Å; I526-K571 HydrophobicContact CD1-CG 3.98Å; I526-K571 HydrophobicContact CG2-CD 4.3Å; I526-K571 HydrophobicContact CG2-CG 4.17Å; E552-K571 PolarHBondContact O-NZ 3.45Å; K553-K571 WeakPolarHBondContact O-CE 3.16Å; K553-K571 PolarHBondContact O-NZ 3.3Å; Q554-K571 WeakPolarHBondContact O-CG 3.33Å; Q554-K571 PolarHBondContact O-N 3.04Å; V556-K571 HydrophobicContact CG1-CD 4.34Å; V556-K571 HydrophobicContact CG1-CG 3.73Å; K571-S573 PolarHBondContact O-N 3.03Å; K571-S573 VanDerWaalsContact O-N 3.11Å; K571-L574 WeakPolarHBondContact O-CB 3.31Å; K571-L574 PolarHBondContact O-N 2.66Å; K571-L574 VanDerWaalsContact O-N 3.08Å
572S92.5Very high93.8Very high82 Ų8228.1 Ų28.157%0.57316%0.163SC*.G310 helixtrans-61.1-16176.457.90000114.8Q570 R575Q570-S572 PolarHBondContact O-N 3.42Å; S572-R575 PolarHBondContact O-NH1 3.49Å
573S92.8Very high93.7Very high30 Ų3036.4 Ų36.421%0.2120%0.199CC..G310 helixtrans-89.3-15.4176730000114.2V534 Q570 K571V534-S573 VanDerWaalsContact CG2-OG 3.23Å; V534-S573 WeakPolarHBondContact CG2-OG 3.32Å; Q570-S573 WeakPolarHBondContact O-CB 3.44Å; Q570-S573 PolarHBondContact O-N 3.42Å; Q570-S573 PolarHBondContact O-OG 2.88Å; K571-S573 PolarHBondContact O-N 3.03Å; K571-S573 VanDerWaalsContact O-N 3.11Å
574L95.2Very high93.7Very high1 Ų137.1 Ų37.11%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-70.1143.4179-64.2-173.3000112.1M521 I526 V534 I547 V556 V558 V569 K571M521-L574 HydrophobicContact CB-CB 4.19Å; M521-L574 HydrophobicContact SD-CB 4.15Å; M521-L574 HydrophobicContact SD-CD1 4.11Å; I526-L574 HydrophobicContact CD1-CD1 4.27Å; I526-L574 HydrophobicContact CG1-CD1 4.25Å; I526-L574 HydrophobicContact CG2-CD1 4.17Å; V534-L574 HydrophobicContact CB-CD2 4.31Å; V534-L574 HydrophobicContact CG2-CD2 4.43Å; I547-L574 HydrophobicContact CD1-CD1 3.9Å; I547-L574 HydrophobicContact CG1-CD1 4.26Å; V556-L574 HydrophobicContact CG2-CD1 4.14Å; V558-L574 HydrophobicContact CG1-CD2 4.38Å; V569-L574 HydrophobicContact CG2-CD2 3.93Å; K571-L574 WeakPolarHBondContact O-CB 3.31Å; K571-L574 PolarHBondContact O-N 2.66Å; K571-L574 VanDerWaalsContact O-N 3.08Å
575R95.7Very high93.7Very high25 Ų2538.7 Ų38.79%0.09421%0.214CC..EExtended strand (participates in β ladder)trans-133.6144172-60.2-62.8-179.9-93.45.8110.9S516 Y519 C532 C533 W542 S572 L577S516-R575 WeakPolarHBondContact O-CD 3.22Å; S516-R575 PolarHBondContact O-NE 2.86Å; S516-R575 PolarHBondContact OG-NE 3.28Å; S516-R575 VanDerWaalsContact OG-NE 3.09Å; Y519-R575 CarbonylContact O-C 3.58Å; Y519-R575 WeakPolarHBondContact O-CA 3.16Å; Y519-R575 WeakPolarHBondContact O-CD 3.24Å; C532-R575 CarbonylContact C-O 3.59Å; C532-R575 WeakPolarHBondContact CA-O 3.34Å; C532-R575 VanDerWaalsContact CB-O 3.29Å; C532-R575 WeakPolarHBondContact CB-O 3.15Å; C533-R575 PolarHBondContact N-O 3.45Å; C533-R575 PolarHBondContact O-N 3.09Å; W542-R575 HydrophobicContact CH2-CG 3.68Å; W542-R575 HydrophobicContact CZ3-CB 4.11Å; W542-R575 HydrophobicContact CZ3-CG 3.45Å; W542-R575 VanDerWaalsContact CZ3-CG 3.45Å; S572-R575 PolarHBondContact O-NH1 3.49Å; R575-L577 PolarHBondContact O-N 2.91Å
576F96.3Very high93.9Very high4 Ų438.2 Ų38.22%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-57.5137.4167.5-75.6-65.8000110.7I451 A455 P457 Y519 M521 P522 F525I451-F576 HydrophobicContact CD1-CZ 4.21Å; I451-F576 HydrophobicContact CG1-CE2 4.19Å; I451-F576 HydrophobicContact CG1-CZ 4.4Å; I451-F576 HydrophobicContact CG2-CD2 4.48Å; I451-F576 HydrophobicContact CG2-CE2 4.19Å; I451-F576 HydrophobicContact CG2-CZ 4.45Å; A455-F576 HydrophobicContact CB-CB 3.88Å; A455-F576 HydrophobicContact CB-CG 4.24Å; P457-F576 HydrophobicContact CB-CE1 4.5Å; Y519-F576 HydrophobicContact CD1-CB 4.16Å; Y519-F576 PolarHBondContact O-N 3.25Å; M521-F576 HydrophobicContact CG-CD1 4.43Å; M521-F576 HydrophobicContact CG-CE1 4.25Å; M521-F576 HydrophobicContact CG-CZ 4.36Å; P522-F576 VanDerWaalsContact CD-CE2 3.5Å; F525-F576 HydrophobicContact CB-CE1 4.15Å; F525-F576 HydrophobicContact CB-CZ 4.07Å; F525-F576 AromaticContact CD1-CE1 3.89Å; F525-F576 HydrophobicContact CD1-CE1 3.89Å; F525-F576 AromaticContact CD1-CZ 3.92Å; F525-F576 HydrophobicContact CD1-CZ 3.92Å; F525-F576 AromaticContact CD2-CZ 3.83Å; F525-F576 HydrophobicContact CD2-CZ 3.83Å; F525-F576 HydrophobicContact CE1-CE1 4.47Å; F525-F576 HydrophobicContact CE1-CZ 4.34Å; F525-F576 HydrophobicContact CE2-CZ 4.26Å; F525-F576 AromaticContact CG-CE1 3.94Å; F525-F576 HydrophobicContact CG-CE1 3.94Å; F525-F576 AromaticContact CG-CZ 3.65Å; F525-F576 HydrophobicContact CG-CZ 3.65Å; F525-F576 HydrophobicContact CZ-CZ 4.5Å
577L96.1Very high93.9Very high0 Ų035.8 Ų35.80%020%0.199CC..EExtended strand (participates in β ladder)trans-81.9125.3177.4-170.673.2000110.3V456 M506 L531 C533 R544 R575 Y581 T582V456-L577 VanDerWaalsContact CB-O 3.23Å; V456-L577 WeakPolarHBondContact CB-O 3.17Å; V456-L577 VanDerWaalsContact CG2-O 3.27Å; V456-L577 WeakPolarHBondContact CG2-O 3.06Å; V456-L577 PolarHBondContact N-O 3.25Å; M506-L577 HydrophobicContact CE-CD1 3.75Å; M506-L577 HydrophobicContact SD-CD1 4.21Å; L531-L577 HydrophobicContact CD1-CD2 4.31Å; L531-L577 HydrophobicContact CD2-CD2 3.84Å; L531-L577 HydrophobicContact CG-CD2 3.86Å; C533-L577 HydrophobicContact CB-CD1 3.83Å; R544-L577 HydrophobicContact CG-CD1 4.09Å; R544-L577 HydrophobicContact CG-CD2 4.31Å; R575-L577 PolarHBondContact O-N 2.91Å; L577-Y581 HydrophobicContact CD1-CD2 4.1Å; L577-Y581 HydrophobicContact CD1-CG 4.41Å; L577-T582 HydrophobicContact CD2-CG2 3.91Å
578K94.8Very high94Very high12 Ų1234.9 Ų34.95%0.05219%0.189CC..EExtended strand (participates in β ladder)trans-61.4137.1169.1-66.1165.16771.40110.7D454 C509 Y510 Y519 C580 Y581D454-K578 CarbonylContact O-C 3.51Å; D454-K578 WeakPolarHBondContact O-CA 3.49Å; D454-K578 IonicContact OD1-NZ 2.78Å; D454-K578 WeakPolarHBondContact OD2-CE 3.35Å; D454-K578 WeakPolarHBondContact OD2-CG 3.29Å; D454-K578 IonicContact OD2-NZ 3.94Å; D454-K578 PolarHBondContact OD2-NZ 2.98Å; C509-K578 VanDerWaalsContact SG-CD 3.56Å; C509-K578 VanDerWaalsContact SG-CE 3.52Å; Y510-K578 HydrophobicContact CE1-CD 4.08Å; Y510-K578 HydrophobicContact CE1-CG 4.27Å; Y510-K578 PolarHBondContact OH-N 2.7Å; Y519-K578 HydrophobicContact CD1-CG 4.06Å; Y519-K578 HydrophobicContact CE1-CD 4.12Å; Y519-K578 HydrophobicContact CE1-CG 3.38Å; Y519-K578 HydrophobicContact CE2-CD 4.02Å; Y519-K578 HydrophobicContact CE2-CG 4.2Å; Y519-K578 VanDerWaalsContact CZ-CG 3.5Å; Y519-K578 PolarHBondContact OH-NZ 2.83Å; K578-C580 PolarHBondContact O-N 2.85Å; K578-C580 VanDerWaalsContact O-N 3.11Å; K578-Y581 HydrophobicContact CB-CD2 3.82Å; K578-Y581 HydrophobicContact CB-CE2 3.83Å; K578-Y581 HydrophobicContact CD-CE2 4.12Å; K578-Y581 HydrophobicContact CG-CE2 4.44Å; K578-Y581 PolarHBondContact O-N 2.74Å
579C93.1Very high94Very high62 Ų6230.8 Ų30.842%0.41917%0.168SC..G310 helixtrans-61.3-27.4-168.368.40000114D454 V456 Y581 T582D454-C579 WeakPolarHBondContact O-CB 3.43Å; D454-C579 PolarHBondContact O-N 3.07Å; V456-C579 HydrophobicContact CG2-CB 3.86Å; C579-Y581 PolarHBondContact O-N 3.43Å; C579-T582 WeakPolarHBondContact O-CB 3.14Å; C579-T582 PolarHBondContact O-N 3.21Å; C579-T582 PolarHBondContact O-OG1 3.29Å
580C92.3Very high94.1Very high44 Ų4430.2 Ų30.230%0.29717%0.165SC..G310 helixtrans-56.9-34.1173.854.20000113.1K578 T582 K583K578-C580 PolarHBondContact O-N 2.85Å; K578-C580 VanDerWaalsContact O-N 3.11Å; C580-T582 PolarHBondContact O-N 3.5Å; C580-K583 WeakPolarHBondContact O-CB 3.49Å; C580-K583 WeakPolarHBondContact O-CG 3.46Å; C580-K583 PolarHBondContact O-N 2.81Å
581Y94.6Very high94.2Very high13 Ų1326.5 Ų26.55%0.05115%0.148CC..G310 helixtrans-81.64.5178.1-49.6-57.6000113.6M502 E505 M506 C509 Y510 R544 L577 K578 C579M502-Y581 HydrophobicContact CG-CD1 3.9Å; E505-Y581 HydrophobicContact CB-CE1 4.2Å; E505-Y581 PolarHBondContact O-OH 2.98Å; E505-Y581 VanDerWaalsContact O-OH 3.07Å; M506-Y581 HydrophobicContact CB-CE1 4.43Å; M506-Y581 HydrophobicContact CG-CD1 3.48Å; M506-Y581 VanDerWaalsContact CG-CD1 3.48Å; M506-Y581 HydrophobicContact CG-CD2 3.69Å; M506-Y581 HydrophobicContact CG-CE1 3.53Å; M506-Y581 HydrophobicContact CG-CE2 3.72Å; M506-Y581 HydrophobicContact CG-CG 3.56Å; M506-Y581 HydrophobicContact SD-CD1 4.26Å; M506-Y581 HydrophobicContact SD-CD2 4.34Å; M506-Y581 HydrophobicContact SD-CG 3.99Å; C509-Y581 VanDerWaalsContact CB-OH 3.25Å; C509-Y581 WeakPolarHBondContact CB-OH 3.22Å; Y510-Y581 HydrophobicContact CE2-CD2 4.14Å; Y510-Y581 AromaticContact CE2-CE2 3.72Å; Y510-Y581 HydrophobicContact CE2-CE2 3.72Å; Y510-Y581 AromaticContact CZ-CE2 3.89Å; Y510-Y581 WeakPolarHBondContact OH-CD2 3.36Å; Y510-Y581 WeakPolarHBondContact OH-CE2 3.37Å; R544-Y581 WeakPolarHBondContact CD-O 3.11Å; R544-Y581 PolarHBondContact NH1-O 3.01Å; L577-Y581 HydrophobicContact CD1-CD2 4.1Å; L577-Y581 HydrophobicContact CD1-CG 4.41Å; K578-Y581 HydrophobicContact CB-CD2 3.82Å; K578-Y581 HydrophobicContact CB-CE2 3.83Å; K578-Y581 HydrophobicContact CD-CE2 4.12Å; K578-Y581 HydrophobicContact CG-CE2 4.44Å; K578-Y581 PolarHBondContact O-N 2.74Å; C579-Y581 PolarHBondContact O-N 3.43Å
582T93.4Very high94.2Very high12 Ų1226 Ų267%0.07415%0.146CC..G310 helixtrans-93.91.9168.671.10000113.7V456 K459 L531 L577 C579 C580V456-T582 HydrophobicContact CG2-CG2 3.81Å; K459-T582 HydrophobicContact CD-CG2 4.44Å; K459-T582 PolarHBondContact NZ-OG1 3.08Å; L531-T582 HydrophobicContact CD2-CG2 3.9Å; L577-T582 HydrophobicContact CD2-CG2 3.91Å; C579-T582 WeakPolarHBondContact O-CB 3.14Å; C579-T582 PolarHBondContact O-N 3.21Å; C579-T582 PolarHBondContact O-OG1 3.29Å; C580-T582 PolarHBondContact O-N 3.5Å
583K92Very high94.3Very high178 Ų17822.2 Ų22.277%0.77412%0.119SC*.SBendtrans-72.5-40.6179.3-70.4-179.5177-1740112.9C580C580-K583 WeakPolarHBondContact O-CB 3.49Å; C580-K583 WeakPolarHBondContact O-CG 3.46Å; C580-K583 PolarHBondContact O-N 2.81Å
584L92Very high94.3Very high26 Ų2620.8 Ų20.814%0.13611%0.109CC..SBendtrans-76.4131.4175.2-173.367.8000109.2L461 L498 L499 M502 R544 Q587L461-L584 WeakPolarHBondContact CD1-O 3.45Å; L498-L584 HydrophobicContact CB-CD1 3.94Å; L498-L584 HydrophobicContact CD1-CD1 4.16Å; L499-L584 HydrophobicContact CB-CD2 4.15Å; L499-L584 HydrophobicContact CD1-CD2 3.98Å; M502-L584 HydrophobicContact CB-CD2 4.46Å; M502-L584 HydrophobicContact SD-CB 4.11Å; M502-L584 HydrophobicContact SD-CD2 3.98Å; R544-L584 PolarHBondContact NH1-O 2.73Å; R544-L584 PolarHBondContact NH2-O 2.78Å; L584-Q587 HydrophobicContact CD2-CG 4.07Å; L584-Q587 HydrophobicContact CG-CG 4.39Å
585P93.9Very high94Very high34 Ų3423.9 Ų23.922%0.22112%0.121CC..PPolyproline II helixtrans-61.4168.2173.1-24.235.3000113.1C462 L464 R544 Q587C462-P585 CarbonylContact O-C 3.44Å; C462-P585 WeakPolarHBondContact O-CA 3.29Å; C462-P585 WeakPolarHBondContact O-CB 3.49Å; L464-P585 HydrophobicContact CD2-CB 4.17Å; L464-P585 HydrophobicContact CD2-CG 4.3Å; L464-P585 HydrophobicContact CG-CB 4.27Å; R544-P585 PolarHBondContact NH2-O 3.22Å; P585-Q587 PolarHBondContact O-N 3.37Å; P585-Q587 PolarHBondContact O-NE2 3.25Å
586A94.8Very high93.7Very high2 Ų223.2 Ų23.22%0.01712%0.119CC..BIsolated β-bridgetrans-59.9122.2166.900000110.2L461 C462 P561 L675 T679L461-A586 HydrophobicContact CD2-CB 3.76Å; L461-A586 HydrophobicContact CG-CB 4.08Å; C462-A586 PolarHBondContact O-N 2.84Å; P561-A586 HydrophobicContact CB-CB 3.91Å; A586-L675 HydrophobicContact CB-CD1 3.8Å; A586-T679 HydrophobicContact CB-CG2 4.34Å
587Q94.2Very high93.5Very high2 Ų227.3 Ų27.31%0.00914%0.135CC..  trans-86.5-15.8-171.3-62.1-59.6-76.900114.9R489 S495 L499 P561 D562 L584 P585R489-Q587 HydrophobicContact CG-CB 4.11Å; S495-Q587 PolarHBondContact OG-OE1 3.43Å; L499-Q587 HydrophobicContact CB-CG 4.28Å; L499-Q587 HydrophobicContact CD1-CG 4.04Å; L499-Q587 HydrophobicContact CD2-CB 4.25Å; L499-Q587 HydrophobicContact CD2-CG 4.16Å; L499-Q587 HydrophobicContact CG-CG 4.38Å; P561-Q587 PolarHBondContact O-N 2.9Å; D562-Q587 HydrophobicContact CB-CB 4.23Å; D562-Q587 PolarHBondContact OD1-N 2.84Å; L584-Q587 HydrophobicContact CD2-CG 4.07Å; L584-Q587 HydrophobicContact CG-CG 4.39Å; P585-Q587 PolarHBondContact O-N 3.37Å; P585-Q587 PolarHBondContact O-NE2 3.25Å
588A94.5Very high93.4Very high1 Ų128.1 Ų28.11%0.00814%0.14CC..  trans-80.2127.817700000111.5Y487 I488 P561 L675Y487-A588 HydrophobicContact CD1-CB 4.06Å; I488-A588 WeakPolarHBondContact O-CA 3.38Å; P561-A588 WeakPolarHBondContact O-CB 2.92Å; P561-A588 PolarHBondContact O-N 2.84Å; A588-L675 VanDerWaalsContact O-CD2 3.27Å; A588-L675 WeakPolarHBondContact O-CD2 3.36Å
589I94.5Very high93.2Very high10 Ų1030.8 Ų30.85%0.05116%0.157CC..EExtended strand (participates in β ladder)trans-109.1123.8174.2-54.5174.3000108.4L464 L467 Y487 I488 I490 L632L464-I589 HydrophobicContact CD1-CD1 4Å; L464-I589 HydrophobicContact CD1-CG1 4.05Å; L467-I589 HydrophobicContact CD1-CD1 4.23Å; Y487-I589 WeakPolarHBondContact CA-O 3.47Å; I488-I589 HydrophobicContact CD1-CB 4.45Å; I488-I589 HydrophobicContact CG1-CB 3.82Å; I488-I589 HydrophobicContact CG1-CG2 4.49Å; I488-I589 PolarHBondContact N-O 3.37Å; I488-I589 PolarHBondContact O-N 3.05Å; I490-I589 HydrophobicContact CD1-CD1 4.05Å; I490-I589 HydrophobicContact CG1-CD1 4.01Å; I589-L632 HydrophobicContact CG2-CB 3.93Å; I589-L632 HydrophobicContact CG2-CD2 3.92Å
590P95.6Very high92.9Very high5 Ų533.9 Ų33.93%0.03217%0.165CC..EExtended strand (participates in β ladder)trans-75.4132.917730.5-33.3000110.6Y487 I631 L632 F669 L675Y487-P590 HydrophobicContact CD1-CB 4.08Å; Y487-P590 HydrophobicContact CE1-CB 3.78Å; P590-I631 HydrophobicContact CB-CD1 3.98Å; P590-I631 HydrophobicContact CG-CD1 3.96Å; P590-L632 PolarHBondContact O-N 2.85Å; P590-F669 HydrophobicContact CB-CE1 3.85Å; P590-F669 HydrophobicContact CB-CE2 3.99Å; P590-F669 HydrophobicContact CB-CZ 3.54Å; P590-L675 HydrophobicContact CG-CD2 4.35Å
591C95.6Very high92.6Very high0 Ų038.4 Ų38.40%018%0.182CC..EExtended strand (participates in β ladder)trans-136.1152.4-167.9-77.90000114.8F486 I488 L632 I634 F669F486-C591 HydrophobicContact CD1-CB 4.47Å; F486-C591 HydrophobicContact CD2-CB 3.68Å; F486-C591 HydrophobicContact CE1-CB 4.19Å; F486-C591 HydrophobicContact CE2-CB 3.34Å; F486-C591 HydrophobicContact CG-CB 4.25Å; F486-C591 HydrophobicContact CZ-CB 3.63Å; F486-C591 PolarHBondContact N-O 3.38Å; F486-C591 PolarHBondContact O-N 3.33Å; I488-C591 HydrophobicContact CG2-CB 4.37Å; C591-L632 VanDerWaalsContact CA-O 3.22Å; C591-L632 WeakPolarHBondContact CA-O 3.14Å; C591-I634 HydrophobicContact CB-CG2 4.04Å; C591-F669 WeakPolarHBondContact O-CE2 3.47Å
592S95.4Very high92.4Very high4 Ų442.9 Ų42.93%0.02820%0.203CC..EExtended strand (participates in β ladder)trans-127.7142.3168-179.30000109.1S484 A594 L632 N633 I634S484-S592 WeakPolarHBondContact CA-OG 3.34Å; S592-A594 PolarHBondContact O-N 2.7Å; S592-L632 PolarHBondContact N-O 3.46Å; S592-N633 WeakPolarHBondContact O-CA 3.33Å; S592-I634 PolarHBondContact O-N 3.18Å
593L94.5Very high92.5Very high1 Ų143.7 Ų43.71%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-73.3117.8177.6-174.263.1000107.8P483 F486 V596 F611 I634 L636 F647 L651P483-L593 WeakPolarHBondContact O-CB 3.33Å; P483-L593 PolarHBondContact O-N 3.44Å; F486-L593 HydrophobicContact CE1-CB 4.13Å; L593-V596 HydrophobicContact CB-CG2 3.75Å; L593-V596 HydrophobicContact CD2-CG2 3.82Å; L593-V596 HydrophobicContact CG-CG2 3.72Å; L593-V596 VanDerWaalsContact O-CG2 3.25Å; L593-V596 WeakPolarHBondContact O-CG2 3.31Å; L593-F611 HydrophobicContact CD2-CD2 4.36Å; L593-F611 HydrophobicContact CD2-CE2 4Å; L593-I634 WeakPolarHBondContact CA-O 3.17Å; L593-L636 HydrophobicContact CD1-CB 4.14Å; L593-L636 HydrophobicContact CD1-CD1 4.48Å; L593-L636 HydrophobicContact CD1-CG 4.19Å; L593-F647 HydrophobicContact CD1-CB 4.45Å; L593-F647 HydrophobicContact CD2-CB 4.25Å; L593-L651 HydrophobicContact CD2-CD1 3.71Å
594A92Very high92.6Very high0 Ų037.4 Ų37.40%018%0.181CC..THydrogen-bonded Turntrans-62.4143.2-168.600000112.7S592 V596 D625 N633 I634 F635 N663S592-A594 PolarHBondContact O-N 2.7Å; A594-V596 PolarHBondContact O-N 3.16Å; A594-V596 VanDerWaalsContact O-N 3.07Å; A594-D625 HydrophobicContact CB-CB 4.07Å; A594-N633 HydrophobicContact CB-CB 4.15Å; A594-I634 PolarHBondContact N-O 2.86Å; A594-F635 HydrophobicContact CB-CD1 3.82Å; A594-F635 HydrophobicContact CB-CD2 3.87Å; A594-F635 HydrophobicContact CB-CE1 3.56Å; A594-F635 HydrophobicContact CB-CE2 3.62Å; A594-F635 HydrophobicContact CB-CG 3.96Å; A594-F635 HydrophobicContact CB-CZ 3.45Å; A594-F635 VanDerWaalsContact CB-CZ 3.45Å; A594-F635 WeakPolarHBondContact O-CE1 3.25Å; A594-N663 WeakPolarHBondContact CA-OD1 3.13Å
595W88.1Confident92.8Very high67 Ų6741 Ų4125%0.25421%0.209SC..THydrogen-bonded Turntrans56.818175.1-57.927.5000115.8L278 D625 F635 V659 C660 N663L278-W595 HydrophobicContact CD1-CH2 4.31Å; L278-W595 HydrophobicContact CD2-CD2 4.1Å; L278-W595 HydrophobicContact CD2-CE3 3.73Å; L278-W595 HydrophobicContact CD2-CH2 4.22Å; L278-W595 HydrophobicContact CD2-CZ3 3.8Å; W595-D625 VanDerWaalsContact CD1-OD2 3.3Å; W595-D625 PolarHBondContact NE1-OD2 3.44Å; W595-F635 HydrophobicContact CB-CE1 4.18Å; W595-F635 HydrophobicContact CB-CZ 4.18Å; W595-F635 AromaticContact CD1-CZ 3.55Å; W595-F635 AromaticContact CD2-CZ 3.97Å; W595-F635 HydrophobicContact CD2-CZ 3.97Å; W595-F635 AromaticContact CE2-CZ 3.98Å; W595-F635 HydrophobicContact CG-CE1 4.18Å; W595-F635 AromaticContact CG-CZ 3.68Å; W595-F635 HydrophobicContact CG-CZ 3.68Å; W595-F635 AromaticContact NE1-CZ 3.72Å; W595-V659 CarbonylContact O-C 3.21Å; W595-V659 WeakPolarHBondContact O-CA 3.33Å; W595-C660 PolarHBondContact O-N 3.33Å; W595-N663 PolarHBondContact N-OD1 3.25Å
596V90.3Very high92.9Very high10 Ų1045.9 Ų45.96%0.06123%0.227CC..EExtended strand (participates in β ladder)trans-117.3150.2172.8-65.80000113L593 A594 W603 H648 A657 V659L593-V596 HydrophobicContact CB-CG2 3.75Å; L593-V596 HydrophobicContact CD2-CG2 3.82Å; L593-V596 HydrophobicContact CG-CG2 3.72Å; L593-V596 VanDerWaalsContact O-CG2 3.25Å; L593-V596 WeakPolarHBondContact O-CG2 3.31Å; A594-V596 PolarHBondContact O-N 3.16Å; A594-V596 VanDerWaalsContact O-N 3.07Å; V596-W603 HydrophobicContact CB-CH2 4.25Å; V596-W603 HydrophobicContact CG2-CH2 4.08Å; V596-W603 HydrophobicContact CG2-CZ2 4.18Å; V596-H648 HydrophobicContact CG1-CB 3.78Å; V596-A657 HydrophobicContact CB-CB 4.13Å; V596-A657 HydrophobicContact CG1-CB 4.19Å; V596-V659 HydrophobicContact CG1-CG2 4.26Å
597R91.6Very high92.9Very high91 Ų9145.8 Ų45.834%0.34323%0.226SC..EExtended strand (participates in β ladder)trans-135.1161.7169.566.8164.5-176.689.2-10110.1V599 W603 A657 I658 C660 I664R597-V599 PolarHBondContact NH1-O 2.85Å; R597-W603 VanDerWaalsContact C-CH2 3.42Å; R597-W603 WeakPolarHBondContact O-CH2 3.38Å; R597-A657 CarbonylContact O-C 3.49Å; R597-A657 WeakPolarHBondContact O-CA 2.93Å; R597-I658 HydrophobicContact CG-CB 4.17Å; R597-I658 WeakPolarHBondContact CG-O 3.44Å; R597-I658 PolarHBondContact N-O 2.84Å; R597-I658 PolarHBondContact O-N 3.43Å; R597-C660 VanDerWaalsContact CG-SG 3.58Å; R597-I664 HydrophobicContact CB-CD1 4.27Å
598P93.9Very high93Very high16 Ų1647.3 Ų47.310%0.10423%0.234CC..EExtended strand (participates in β ladder)trans-57.9156.3169.323.8-33.3000111.9E600 H602 W603P598-E600 CarbonylContact C-O 3.57Å; P598-E600 WeakPolarHBondContact CB-O 3.49Å; P598-E600 WeakPolarHBondContact CG-O 3.44Å; P598-H602 VanDerWaalsContact CB-C 3.46Å; P598-H602 VanDerWaalsContact CB-O 3.23Å; P598-H602 WeakPolarHBondContact CB-O 3.44Å; P598-W603 HydrophobicContact CB-CD2 3.91Å; P598-W603 HydrophobicContact CB-CE3 3.97Å; P598-W603 HydrophobicContact CB-CG 4.23Å; P598-W603 HydrophobicContact CB-CZ3 4.47Å; P598-W603 HydrophobicContact CG-CD2 4.33Å; P598-W603 HydrophobicContact CG-CG 4.45Å
599V91Very high93Very high68 Ų6852.5 Ų52.541%0.41226%0.261SS..SBendtrans-63.8-49.1170.5172.20000110.2R597 I658R597-V599 PolarHBondContact NH1-O 2.85Å; V599-I658 HydrophobicContact CB-CD1 4.41Å; V599-I658 HydrophobicContact CB-CG1 4.47Å; V599-I658 HydrophobicContact CG1-CD1 4.31Å; V599-I658 HydrophobicContact CG2-CD1 4.42Å; V599-I658 HydrophobicContact CG2-CG1 4.01Å
600E86.7Confident93.1Very high127 Ų12753.2 Ų53.259%0.59326%0.264SS*.SBendtrans-81.4-168.9172.6-65.9162.1-139.800110.7P598 H602 T604P598-E600 CarbonylContact C-O 3.57Å; P598-E600 WeakPolarHBondContact CB-O 3.49Å; P598-E600 WeakPolarHBondContact CG-O 3.44Å; E600-H602 VanDerWaalsContact C-N 3.32Å; E600-T604 WeakPolarHBondContact OE1-CG2 3.26Å; E600-T604 WeakPolarHBondContact OE2-CG2 3.27Å
601E86.5Confident93.1Very high139 Ų13953 Ų5365%0.6526%0.262SS*.SBendtrans-70.6-28.9174.9-166.8-176.2176.400112.7K667E601-K667 IonicContact OE1-NZ 3.93Å; E601-K667 PolarHBondContact OE1-NZ 2.9Å
602H90.9Very high93Very high108 Ų10857 Ų5750%0.528%0.281SS..SBendtrans-127.2154.9-173.6-57.3105.1000111.2P598 E600 T604 K667P598-H602 VanDerWaalsContact CB-C 3.46Å; P598-H602 VanDerWaalsContact CB-O 3.23Å; P598-H602 WeakPolarHBondContact CB-O 3.44Å; E600-H602 VanDerWaalsContact C-N 3.32Å; H602-T604 PolarHBondContact O-N 3.24Å; H602-K667 PolarHBondContact NE2-NZ 2.9Å
603W93.9Very high92.9Very high29 Ų2963.7 Ų63.711%0.1131%0.31CS..  trans-71.6116.6175.9-71110.4000110.2P483 S484 V596 R597 P598 A607 I608 H656 A657P483-W603 HydrophobicContact CB-CD2 4.18Å; P483-W603 HydrophobicContact CB-CE3 4.42Å; P483-W603 HydrophobicContact CB-CH2 4Å; P483-W603 HydrophobicContact CB-CZ2 3.73Å; P483-W603 HydrophobicContact CB-CZ3 4.33Å; P483-W603 HydrophobicContact CG-CD2 3.82Å; P483-W603 HydrophobicContact CG-CE3 3.87Å; P483-W603 HydrophobicContact CG-CG 4.36Å; P483-W603 HydrophobicContact CG-CH2 4.27Å; P483-W603 HydrophobicContact CG-CZ2 4.23Å; P483-W603 HydrophobicContact CG-CZ3 4.09Å; S484-W603 PolarHBondContact OG-NE1 3.05Å; V596-W603 HydrophobicContact CB-CH2 4.25Å; V596-W603 HydrophobicContact CG2-CH2 4.08Å; V596-W603 HydrophobicContact CG2-CZ2 4.18Å; R597-W603 VanDerWaalsContact C-CH2 3.42Å; R597-W603 WeakPolarHBondContact O-CH2 3.38Å; P598-W603 HydrophobicContact CB-CD2 3.91Å; P598-W603 HydrophobicContact CB-CE3 3.97Å; P598-W603 HydrophobicContact CB-CG 4.23Å; P598-W603 HydrophobicContact CB-CZ3 4.47Å; P598-W603 HydrophobicContact CG-CD2 4.33Å; P598-W603 HydrophobicContact CG-CG 4.45Å; W603-A607 HydrophobicContact CE3-CB 3.98Å; W603-I608 HydrophobicContact CB-CD1 4.24Å; W603-I608 HydrophobicContact CB-CG1 3.99Å; W603-H656 WeakPolarHBondContact CZ3-O 3.48Å; W603-A657 HydrophobicContact CH2-CB 3.8Å; W603-A657 HydrophobicContact CZ3-CB 3.91Å
604T95.2Very high92.8Very high45 Ų4564.5 Ų64.528%0.27631%0.314SS..  trans-68150.5178.762.50000111.4E600 H602 K606 A607 I608E600-T604 WeakPolarHBondContact OE1-CG2 3.26Å; E600-T604 WeakPolarHBondContact OE2-CG2 3.27Å; H602-T604 PolarHBondContact O-N 3.24Å; T604-K606 PolarHBondContact O-N 3.14Å; T604-K606 VanDerWaalsContact O-N 3.08Å; T604-A607 WeakPolarHBondContact O-CA 3.49Å; T604-A607 WeakPolarHBondContact O-CB 3.48Å; T604-A607 PolarHBondContact O-N 2.74Å; T604-I608 PolarHBondContact O-N 2.85Å
605S95.5Very high92.7Very high103 Ų10364.6 Ų64.672%0.7232%0.315SS*.Hα-helixtrans-56.4-31.3-177.5-380000112.9I608 L609S605-I608 PolarHBondContact O-N 3.2Å; S605-L609 VanDerWaalsContact O-CB 3.29Å; S605-L609 WeakPolarHBondContact O-CB 3.22Å; S605-L609 PolarHBondContact O-N 3.35Å
606K95.7Very high92.3Very high135 Ų13563 Ų6359%0.58732%0.319SS*.Hα-helixtrans-67-39.5173.1-173.5178.2168.8-115.20112.5T604 Q610 H656T604-K606 PolarHBondContact O-N 3.14Å; T604-K606 VanDerWaalsContact O-N 3.08Å; K606-Q610 WeakPolarHBondContact O-CB 3.21Å; K606-Q610 PolarHBondContact O-N 2.93Å; K606-H656 WeakPolarHBondContact CE-NE2 3.41Å; K606-H656 PolarHBondContact NZ-CE1 2.78Å; K606-H656 VanDerWaalsContact NZ-CE1 3.3Å; K606-H656 PolarHBondContact NZ-NE2 3.18Å
607A95.6Very high91.3Very high0 Ų067.5 Ų67.50%034%0.342CS..Hα-helixtrans-66.8-40.3175.100000111.8W603 T604 Q610 F611 H656W603-A607 HydrophobicContact CE3-CB 3.98Å; T604-A607 WeakPolarHBondContact O-CA 3.49Å; T604-A607 WeakPolarHBondContact O-CB 3.48Å; T604-A607 PolarHBondContact O-N 2.74Å; A607-Q610 PolarHBondContact O-N 3.08Å; A607-F611 WeakPolarHBondContact O-CB 3.3Å; A607-F611 PolarHBondContact O-N 3.39Å; A607-H656 HydrophobicContact CB-CB 3.75Å
608I95.8Very high90.6Very high35 Ų3565.2 Ų65.218%0.17934%0.335CS..Hα-helixtrans-64.3-49.1176.1-60.2170.4000110.3W603 T604 S605 Q610 F611 Q612W603-I608 HydrophobicContact CB-CD1 4.24Å; W603-I608 HydrophobicContact CB-CG1 3.99Å; T604-I608 PolarHBondContact O-N 2.85Å; S605-I608 PolarHBondContact O-N 3.2Å; I608-Q610 VanDerWaalsContact C-N 3.33Å; I608-Q610 PolarHBondContact O-N 3.18Å; I608-F611 PolarHBondContact O-N 3.29Å; I608-Q612 HydrophobicContact CG2-CG 4.5Å; I608-Q612 WeakPolarHBondContact O-CG 3.46Å; I608-Q612 PolarHBondContact O-N 2.82Å
609L95.5Very high90.1Very high110 Ų11064.7 Ų64.758%0.57633%0.331SS*.Hα-helixtrans-60.3-40.1177.7179.662.7000112.6S605 Q612 K613S605-L609 VanDerWaalsContact O-CB 3.29Å; S605-L609 WeakPolarHBondContact O-CB 3.22Å; S605-L609 PolarHBondContact O-N 3.35Å; L609-Q612 PolarHBondContact O-N 3.25Å; L609-K613 WeakPolarHBondContact O-CB 3.47Å; L609-K613 PolarHBondContact O-N 3.37Å
610Q95.7Very high90.1Very high24 Ų2461.5 Ų61.511%0.11231%0.312CS..Hα-helixtrans-69-37.8176.2-178.970.8-11.900111.9K606 A607 I608 K613 L614 L651 E654K606-Q610 WeakPolarHBondContact O-CB 3.21Å; K606-Q610 PolarHBondContact O-N 2.93Å; A607-Q610 PolarHBondContact O-N 3.08Å; I608-Q610 VanDerWaalsContact C-N 3.33Å; I608-Q610 PolarHBondContact O-N 3.18Å; Q610-K613 PolarHBondContact O-N 3.46Å; Q610-L614 HydrophobicContact CG-CD1 4.35Å; Q610-L614 WeakPolarHBondContact O-CB 3.36Å; Q610-L614 WeakPolarHBondContact O-CG 3.34Å; Q610-L614 PolarHBondContact O-N 3.16Å; Q610-L651 HydrophobicContact CG-CD2 4.33Å; Q610-E654 WeakPolarHBondContact CG-OE2 3.37Å; Q610-E654 PolarHBondContact NE2-OE1 2.9Å; Q610-E654 PolarHBondContact NE2-OE2 2.82Å
611F95.7Very high90.1Very high0 Ų055.6 Ų55.60%028%0.284CS..Hα-helixtrans-64.3-44.2172.9-178.9-111.6000111.7I480 P483 F486 L593 A607 I608 K613 L614 C615 L636 F647 L651I480-F611 HydrophobicContact CD1-CD1 4.22Å; I480-F611 HydrophobicContact CD1-CE1 4.19Å; I480-F611 HydrophobicContact CG1-CE1 4.28Å; I480-F611 HydrophobicContact CG2-CD1 3.7Å; I480-F611 HydrophobicContact CG2-CE1 3.93Å; P483-F611 HydrophobicContact CB-CD1 4.35Å; P483-F611 HydrophobicContact CB-CD2 4.28Å; P483-F611 HydrophobicContact CB-CG 4.2Å; P483-F611 HydrophobicContact CG-CB 3.86Å; P483-F611 HydrophobicContact CG-CD1 4.1Å; P483-F611 HydrophobicContact CG-CD2 4.34Å; P483-F611 HydrophobicContact CG-CG 3.86Å; F486-F611 HydrophobicContact CB-CE1 4.28Å; F486-F611 AromaticContact CD1-CE1 3.73Å; F486-F611 HydrophobicContact CD1-CE1 3.73Å; F486-F611 AromaticContact CD1-CZ 3.63Å; F486-F611 HydrophobicContact CD1-CZ 3.63Å; F486-F611 HydrophobicContact CD2-CZ 4.46Å; F486-F611 HydrophobicContact CE1-CE1 4.18Å; F486-F611 AromaticContact CE1-CZ 3.59Å; F486-F611 HydrophobicContact CE1-CZ 3.59Å; F486-F611 HydrophobicContact CE2-CZ 4.43Å; F486-F611 HydrophobicContact CG-CE1 4.03Å; F486-F611 HydrophobicContact CG-CZ 4.08Å; F486-F611 HydrophobicContact CZ-CZ 4.02Å; L593-F611 HydrophobicContact CD2-CD2 4.36Å; L593-F611 HydrophobicContact CD2-CE2 4Å; A607-F611 WeakPolarHBondContact O-CB 3.3Å; A607-F611 PolarHBondContact O-N 3.39Å; I608-F611 PolarHBondContact O-N 3.29Å; F611-K613 VanDerWaalsContact C-N 3.31Å; F611-K613 PolarHBondContact O-N 3.01Å; F611-L614 PolarHBondContact O-N 2.86Å; F611-L614 VanDerWaalsContact O-N 3.17Å; F611-C615 PolarHBondContact O-N 2.76Å; F611-C615 PolarHBondContact O-SG 2.84Å; F611-L636 HydrophobicContact CE2-CD1 4.19Å; F611-L636 HydrophobicContact CZ-CD1 4.14Å; F611-F647 HydrophobicContact CD2-CD2 4.24Å; F611-F647 AromaticContact CE2-CD2 3.94Å; F611-F647 HydrophobicContact CE2-CD2 3.94Å; F611-L651 HydrophobicContact CD2-CD1 4.13Å
612Q94.1Very high90.3Very high84 Ų8449 Ų4939%0.39325%0.253SS..Hα-helixtrans-55.7-44.2172-71.3169.8-17.100112I480 I608 L609 G616I480-Q612 HydrophobicContact CB-CG 4.25Å; I480-Q612 HydrophobicContact CD1-CB 4.43Å; I480-Q612 HydrophobicContact CD1-CG 3.97Å; I480-Q612 HydrophobicContact CG2-CG 3.94Å; I608-Q612 HydrophobicContact CG2-CG 4.5Å; I608-Q612 WeakPolarHBondContact O-CG 3.46Å; I608-Q612 PolarHBondContact O-N 2.82Å; L609-Q612 PolarHBondContact O-N 3.25Å; Q612-G616 PolarHBondContact O-N 3.17Å
613K92.6Very high90.1Very high145 Ų14544.5 Ų44.563%0.6323%0.234SC*.Hα-helixtrans-66.8-36176.5175-179.9152.4-143.20113.3L609 Q610 F611L609-K613 WeakPolarHBondContact O-CB 3.47Å; L609-K613 PolarHBondContact O-N 3.37Å; Q610-K613 PolarHBondContact O-N 3.46Å; F611-K613 VanDerWaalsContact C-N 3.31Å; F611-K613 PolarHBondContact O-N 3.01Å
614L92.5Very high89.8Confident19 Ų1943.1 Ų43.110%0.09923%0.228CC..Hα-helixtrans-67.6-47174.8-77.2168000111.3Q610 F611 K618 V645 F647 V650 L651Q610-L614 HydrophobicContact CG-CD1 4.35Å; Q610-L614 WeakPolarHBondContact O-CB 3.36Å; Q610-L614 WeakPolarHBondContact O-CG 3.34Å; Q610-L614 PolarHBondContact O-N 3.16Å; F611-L614 PolarHBondContact O-N 2.86Å; F611-L614 VanDerWaalsContact O-N 3.17Å; L614-K618 WeakPolarHBondContact O-CE 3.46Å; L614-K618 PolarHBondContact O-NZ 3.28Å; L614-V645 HydrophobicContact CD2-CG1 4.18Å; L614-F647 VanDerWaalsContact C-CZ 3.43Å; L614-F647 HydrophobicContact CB-CD1 4.13Å; L614-F647 HydrophobicContact CB-CD2 4.13Å; L614-F647 HydrophobicContact CB-CE1 4Å; L614-F647 HydrophobicContact CB-CE2 4.01Å; L614-F647 HydrophobicContact CB-CG 4.2Å; L614-F647 HydrophobicContact CB-CZ 3.94Å; L614-F647 HydrophobicContact CD1-CB 4.46Å; L614-F647 HydrophobicContact CD1-CG 4.39Å; L614-F647 HydrophobicContact CD2-CD1 4.39Å; L614-F647 HydrophobicContact CD2-CE1 4.48Å; L614-F647 WeakPolarHBondContact O-CZ 3.46Å; L614-V650 HydrophobicContact CD1-CB 3.93Å; L614-V650 HydrophobicContact CD1-CG1 3.93Å; L614-V650 HydrophobicContact CD2-CB 4.31Å; L614-V650 HydrophobicContact CD2-CG1 4.17Å; L614-V650 HydrophobicContact CD2-CG2 4.14Å; L614-L651 HydrophobicContact CD1-CD2 4.5Å; L614-L651 HydrophobicContact CD1-CG 4.38Å
615C91Very high89.6Confident2 Ų242.5 Ų42.51%0.01422%0.223CC..Hα-helixtrans-57.7-56.5174.9-66.60000111.1V477 I480 F611 K618 F647V477-C615 HydrophobicContact CB-CB 4.22Å; V477-C615 HydrophobicContact CG2-CB 4.36Å; I480-C615 HydrophobicContact CD1-CB 3.92Å; F611-C615 PolarHBondContact O-N 2.76Å; F611-C615 PolarHBondContact O-SG 2.84Å; C615-K618 VanDerWaalsContact O-CE 3.25Å; C615-K618 WeakPolarHBondContact O-CE 3.46Å; C615-K618 WeakPolarHBondContact O-CG 3.4Å; C615-F647 HydrophobicContact CB-CE2 4.43Å
616G78.5Confident89.4Confident33 Ų3341.3 Ų41.334%0.3421%0.207SC..THydrogen-bonded Turntrans55.3-155-175.300000112.8Q612Q612-G616 PolarHBondContact O-N 3.17Å
617L70.2Confident89.2Confident105 Ų10538.3 Ų38.355%0.5519%0.192SC..THydrogen-bonded Turntrans-118.749.3-177.8-60.5178.8000110.7Y947L617-Y947 HydrophobicContact CB-CD1 4.45Å; L617-Y947 HydrophobicContact CB-CE1 3.64Å; L617-Y947 HydrophobicContact CD1-CD1 4.21Å; L617-Y947 HydrophobicContact CD1-CD2 4.14Å; L617-Y947 HydrophobicContact CD1-CE1 3.89Å; L617-Y947 HydrophobicContact CD1-CE2 3.85Å; L617-Y947 HydrophobicContact CD1-CG 4.3Å; L617-Y947 HydrophobicContact CD2-CD1 3.75Å; L617-Y947 HydrophobicContact CD2-CE1 3.83Å; L617-Y947 HydrophobicContact CD2-CG 4.31Å; L617-Y947 HydrophobicContact CG-CD1 4.35Å; L617-Y947 HydrophobicContact CG-CE1 3.98Å
618K77.3Confident88.9Confident43 Ų4339.8 Ų39.819%0.18720%0.201CC..SBendtrans-131.6154-172.768-166.7174.5-164.80110.4F476 L614 C615 L620 D638F476-K618 WeakPolarHBondContact CD1-O 3.48Å; L614-K618 WeakPolarHBondContact O-CE 3.46Å; L614-K618 PolarHBondContact O-NZ 3.28Å; C615-K618 VanDerWaalsContact O-CE 3.25Å; C615-K618 WeakPolarHBondContact O-CE 3.46Å; C615-K618 WeakPolarHBondContact O-CG 3.4Å; K618-L620 HydrophobicContact CD-CD2 4.32Å; K618-L620 HydrophobicContact CG-CD2 3.98Å; K618-D638 VanDerWaalsContact CE-OD2 3.31Å; K618-D638 WeakPolarHBondContact CE-OD2 3.16Å; K618-D638 VanDerWaalsContact NZ-CG 3.35Å; K618-D638 IonicContact NZ-OD2 2.85Å; K618-D638 PolarHBondContact NZ-OD2 3.39Å
619P83.2Confident88.4Confident4 Ų444.3 Ų44.33%0.02623%0.226CC..  trans-68.6138171.929.2-33.8000110.1F476 Y491F476-P619 HydrophobicContact CE1-CB 4.08Å; F476-P619 HydrophobicContact CZ-CB 4.19Å; Y491-P619 HydrophobicContact CD1-CB 3.62Å; Y491-P619 HydrophobicContact CE1-CB 3.85Å; Y491-P619 HydrophobicContact CE1-CG 4.37Å; Y491-P619 HydrophobicContact CG-CB 4.31Å
620L90.1Very high87.9Confident1 Ų140.9 Ų40.91%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-115.7163.8176.9-57.5177.5000110.7G474 V475 V477 K618 L636 D638 F647G474-L620 WeakPolarHBondContact CA-O 3.32Å; V475-L620 HydrophobicContact CG2-CB 3.89Å; V475-L620 PolarHBondContact N-O 3.11Å; V475-L620 PolarHBondContact O-N 3.33Å; V477-L620 HydrophobicContact CG2-CD1 3.93Å; K618-L620 HydrophobicContact CD-CD2 4.32Å; K618-L620 HydrophobicContact CG-CD2 3.98Å; L620-L636 HydrophobicContact CD1-CD1 4.43Å; L620-D638 HydrophobicContact CD2-CB 3.95Å; L620-F647 HydrophobicContact CD1-CE2 3.61Å; L620-F647 HydrophobicContact CD1-CZ 3.6Å; L620-F647 HydrophobicContact CD2-CE1 4.41Å; L620-F647 HydrophobicContact CD2-CZ 3.69Å; L620-F647 HydrophobicContact CG-CZ 4.3Å
621V87.9Confident87.8Confident3 Ų340.3 Ų40.32%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-100122168176.20000108.7I286 L472 C637 T639 A959 L963I286-V621 HydrophobicContact CD1-CG1 4.47Å; L472-V621 HydrophobicContact CD2-CG1 3.37Å; V621-C637 HydrophobicContact CB-CB 4.41Å; V621-C637 PolarHBondContact N-O 3.18Å; V621-C637 PolarHBondContact O-N 2.74Å; V621-T639 HydrophobicContact CB-CG2 4.28Å; V621-T639 HydrophobicContact CG2-CG2 3.87Å; V621-A959 HydrophobicContact CG2-CB 4.39Å; V621-L963 HydrophobicContact CG1-CD2 4.4Å; V621-L963 HydrophobicContact CG2-CD1 4.35Å; V621-L963 HydrophobicContact CG2-CD2 4.49Å; V621-L963 HydrophobicContact CG2-CG 4.34Å
622G89.3Confident87.8Confident0 Ų040.3 Ų40.30%022%0.215CC..EExtended strand (participates in β ladder)trans-105.2143.3171.800000111.7L472 I473 F635L472-G622 WeakPolarHBondContact CA-O 3.48Å; I473-G622 PolarHBondContact N-O 2.91Å; I473-G622 PolarHBondContact O-N 2.7Å; G622-F635 CarbonylContact C-O 3.56Å; G622-F635 VanDerWaalsContact CA-O 3.31Å; G622-F635 WeakPolarHBondContact CA-O 3.22Å
623V86.4Confident87.8Confident14 Ų1436.5 Ų36.59%0.08520%0.197CC..EExtended strand (participates in β ladder)trans-112.8125.9160.4179.60000109.1F282 S471 L472 D625 I634 F635F282-V623 HydrophobicContact CD2-CB 4.21Å; F282-V623 HydrophobicContact CD2-CG2 3.83Å; F282-V623 HydrophobicContact CE2-CB 3.66Å; F282-V623 HydrophobicContact CE2-CG2 3.29Å; F282-V623 HydrophobicContact CZ-CG2 3.88Å; S471-V623 WeakPolarHBondContact O-CA 3.32Å; L472-V623 HydrophobicContact CD2-CG2 3.44Å; L472-V623 VanDerWaalsContact CD2-CG2 3.44Å; L472-V623 HydrophobicContact CG-CG2 4.07Å; V623-D625 PolarHBondContact O-N 2.9Å; V623-I634 WeakPolarHBondContact O-CA 3.37Å; V623-I634 WeakPolarHBondContact O-CG1 3.42Å; V623-F635 PolarHBondContact N-O 3.39Å; V623-F635 PolarHBondContact O-N 3.21Å
624V88.6Confident87.8Confident0 Ų029.6 Ų29.60%017%0.167CC..EExtended strand (participates in β ladder)trans-68.8121.5174.2175.20000109.3L467 D468 S470 S471 I473 L632L467-V624 HydrophobicContact CB-CG1 4.45Å; L467-V624 HydrophobicContact CB-CG2 3.86Å; L467-V624 HydrophobicContact CD1-CG2 4.11Å; D468-V624 WeakPolarHBondContact O-CB 3.48Å; D468-V624 WeakPolarHBondContact O-CG1 3.44Å; S470-V624 WeakPolarHBondContact CA-O 3.45Å; S470-V624 PolarHBondContact N-O 3.27Å; S471-V624 PolarHBondContact O-N 3.02Å; S471-V624 WeakPolarHBondContact OG-CG2 3.4Å; I473-V624 HydrophobicContact CD1-CG2 3.99Å; I473-V624 HydrophobicContact CG1-CG2 4.45Å; V624-L632 HydrophobicContact CB-CD1 4.28Å; V624-L632 HydrophobicContact CG1-CD1 3.71Å; V624-L632 HydrophobicContact CG2-CD1 4.17Å
625D89.5Confident87.8Confident32 Ų3229 Ų2917%0.17116%0.163CC..EExtended strand (participates in β ladder)trans-89.2-72.6172.2-165.142.5000108.7T469 A594 W595 V623 N633 F635 N663T469-D625 WeakPolarHBondContact CB-O 3.23Å; T469-D625 VanDerWaalsContact CG2-O 3.24Å; T469-D625 WeakPolarHBondContact CG2-O 3.27Å; T469-D625 PolarHBondContact OG1-O 2.69Å; A594-D625 HydrophobicContact CB-CB 4.07Å; W595-D625 VanDerWaalsContact CD1-OD2 3.3Å; W595-D625 PolarHBondContact NE1-OD2 3.44Å; V623-D625 PolarHBondContact O-N 2.9Å; D625-N633 HydrophobicContact CB-CB 4.37Å; D625-N633 WeakPolarHBondContact CB-O 3.42Å; D625-N633 PolarHBondContact N-O 2.78Å; D625-F635 HydrophobicContact CB-CD2 4.21Å; D625-F635 HydrophobicContact CB-CE2 3.87Å; D625-N663 PolarHBondContact OD2-ND2 3.29Å
626E91.4Very high87.8Confident79 Ų7928.9 Ų28.937%0.36916%0.163SC..EExtended strand (participates in β ladder)trans-156.9158.5179.255.9174.7-179.600112.3V628 N633 N663E626-V628 HydrophobicContact CG-CG2 3.97Å; E626-N633 HydrophobicContact CG-CB 4.37Å; E626-N633 WeakPolarHBondContact O-CB 3.48Å; E626-N633 PolarHBondContact O-N 3.45Å; E626-N633 PolarHBondContact O-ND2 3.26Å; E626-N663 WeakPolarHBondContact CG-ND2 3.48Å; E626-N663 PolarHBondContact OE1-ND2 3.5Å
627Y91.5Very high88.3Confident71 Ų7127.3 Ų27.328%0.27815%0.147SC..EExtended strand (participates in β ladder)trans-93.5119.1166.8-79.7-99.2000110.4P466 L467 I631 L632P466-Y627 HydrophobicContact CB-CD2 4.35Å; P466-Y627 HydrophobicContact CB-CE2 4.16Å; L467-Y627 HydrophobicContact CB-CE2 4.19Å; L467-Y627 PolarHBondContact N-OH 3.02Å; Y627-I631 CarbonylContact C-O 3.25Å; Y627-I631 WeakPolarHBondContact CA-O 3.49Å; Y627-L632 HydrophobicContact CD1-CB 4.15Å; Y627-L632 HydrophobicContact CD2-CD1 4.25Å; Y627-L632 HydrophobicContact CE1-CB 3.74Å; Y627-L632 HydrophobicContact CE2-CB 4.42Å; Y627-L632 HydrophobicContact CE2-CD1 3.87Å
628V89.6Confident89.2Confident32 Ų3223.1 Ų23.119%0.19413%0.125CC..EExtended strand (participates in β ladder)trans-116.4125.5174.5178.60000108.2E626 G630 I631 N633 S665E626-V628 HydrophobicContact CG-CG2 3.97Å; V628-G630 PolarHBondContact O-N 2.83Å; V628-I631 PolarHBondContact N-O 2.86Å; V628-I631 WeakPolarHBondContact O-CA 3.25Å; V628-I631 WeakPolarHBondContact O-CB 3.34Å; V628-I631 PolarHBondContact O-N 3.03Å; V628-N633 WeakPolarHBondContact CG2-ND2 3.49Å; V628-S665 VanDerWaalsContact CG1-OG 3.31Å; V628-S665 WeakPolarHBondContact CG1-OG 3.33Å
629D84.8Confident89.4Confident129 Ų12921.1 Ų21.169%0.6912%0.116SC*.THydrogen-bonded Turntrans53.623.5-177.3-54.8-45.8000114.7I631 S665D629-I631 VanDerWaalsContact C-N 3.34Å; D629-S665 WeakPolarHBondContact OD2-CB 3.45Å; D629-S665 PolarHBondContact OD2-OG 2.87Å
630G86.6Confident89Confident38 Ų3823.6 Ų23.639%0.39213%0.133SC..THydrogen-bonded Turntrans82.46.1-174.900000115V628V628-G630 PolarHBondContact O-N 2.83Å
631I93Very high88.3Confident13 Ų1326 Ų267%0.06715%0.151CC..EExtended strand (participates in β ladder)trans-96.3133.4171.8-46.7-54.4000108.8P590 Y627 V628 D629 F669 N673P590-I631 HydrophobicContact CB-CD1 3.98Å; P590-I631 HydrophobicContact CG-CD1 3.96Å; Y627-I631 CarbonylContact C-O 3.25Å; Y627-I631 WeakPolarHBondContact CA-O 3.49Å; V628-I631 PolarHBondContact N-O 2.86Å; V628-I631 WeakPolarHBondContact O-CA 3.25Å; V628-I631 WeakPolarHBondContact O-CB 3.34Å; V628-I631 PolarHBondContact O-N 3.03Å; D629-I631 VanDerWaalsContact C-N 3.34Å; I631-F669 HydrophobicContact CB-CD2 4.45Å; I631-F669 HydrophobicContact CD1-CB 3.71Å; I631-F669 HydrophobicContact CD1-CD1 4.24Å; I631-F669 HydrophobicContact CD1-CD2 3.65Å; I631-F669 HydrophobicContact CD1-CE2 4.25Å; I631-F669 HydrophobicContact CD1-CG 3.63Å; I631-F669 HydrophobicContact CG1-CB 4.03Å; I631-F669 HydrophobicContact CG1-CD2 3.91Å; I631-F669 HydrophobicContact CG1-CG 4.2Å; I631-F669 HydrophobicContact CG2-CD2 3.68Å; I631-F669 HydrophobicContact CG2-CE2 3.8Å; I631-N673 VanDerWaalsContact CD1-ND2 3.29Å; I631-N673 WeakPolarHBondContact CD1-ND2 3.41Å
632L94.6Very high87.5Confident0 Ų032.6 Ų32.60%019%0.186CC..EExtended strand (participates in β ladder)trans-83.7113.7178.1167.456.8000110.5L467 I488 I589 P590 C591 S592 V624 Y627 I634L467-L632 HydrophobicContact CD1-CD2 4.25Å; I488-L632 HydrophobicContact CD1-CD2 3.94Å; I589-L632 HydrophobicContact CG2-CB 3.93Å; I589-L632 HydrophobicContact CG2-CD2 3.92Å; P590-L632 PolarHBondContact O-N 2.85Å; C591-L632 VanDerWaalsContact CA-O 3.22Å; C591-L632 WeakPolarHBondContact CA-O 3.14Å; S592-L632 PolarHBondContact N-O 3.46Å; V624-L632 HydrophobicContact CB-CD1 4.28Å; V624-L632 HydrophobicContact CG1-CD1 3.71Å; V624-L632 HydrophobicContact CG2-CD1 4.17Å; Y627-L632 HydrophobicContact CD1-CB 4.15Å; Y627-L632 HydrophobicContact CD2-CD1 4.25Å; Y627-L632 HydrophobicContact CE1-CB 3.74Å; Y627-L632 HydrophobicContact CE2-CB 4.42Å; Y627-L632 HydrophobicContact CE2-CD1 3.87Å; L632-I634 HydrophobicContact CD2-CD1 4.36Å; L632-I634 HydrophobicContact CG-CB 4.16Å
633N94.1Very high86.9Confident4 Ų439.2 Ų39.22%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-79.6122.4166-62.4-75.9000108.9S592 A594 D625 E626 V628 N663S592-N633 WeakPolarHBondContact O-CA 3.33Å; A594-N633 HydrophobicContact CB-CB 4.15Å; D625-N633 HydrophobicContact CB-CB 4.37Å; D625-N633 WeakPolarHBondContact CB-O 3.42Å; D625-N633 PolarHBondContact N-O 2.78Å; E626-N633 HydrophobicContact CG-CB 4.37Å; E626-N633 WeakPolarHBondContact O-CB 3.48Å; E626-N633 PolarHBondContact O-N 3.45Å; E626-N633 PolarHBondContact O-ND2 3.26Å; V628-N633 WeakPolarHBondContact CG2-ND2 3.49Å; N633-N663 HydrophobicContact CB-CB 4.33Å; N633-N663 VanDerWaalsContact CG-CG 3.42Å
634I93.7Very high86.7Confident0 Ų040.1 Ų40.10%022%0.221CC..EExtended strand (participates in β ladder)trans-137139.6-169.6-170.8172.4000111.1I473 V475 F486 I488 C591 S592 L593 A594 V623 L632 L636I473-I634 HydrophobicContact CD1-CD1 3.93Å; V475-I634 HydrophobicContact CG1-CD1 4.36Å; F486-I634 HydrophobicContact CE2-CG2 4.15Å; F486-I634 HydrophobicContact CZ-CG2 3.75Å; I488-I634 HydrophobicContact CD1-CD1 3.79Å; C591-I634 HydrophobicContact CB-CG2 4.04Å; S592-I634 PolarHBondContact O-N 3.18Å; L593-I634 WeakPolarHBondContact CA-O 3.17Å; A594-I634 PolarHBondContact N-O 2.86Å; V623-I634 WeakPolarHBondContact O-CA 3.37Å; V623-I634 WeakPolarHBondContact O-CG1 3.42Å; L632-I634 HydrophobicContact CD2-CD1 4.36Å; L632-I634 HydrophobicContact CG-CB 4.16Å; I634-L636 HydrophobicContact CD1-CD2 3.98Å; I634-L636 HydrophobicContact CG1-CD2 4.19Å; I634-L636 HydrophobicContact CG2-CD2 4.43Å; I634-L636 HydrophobicContact CG2-CG 4.48Å
635F91.3Very high86.6Confident6 Ų642.4 Ų42.43%0.02624%0.235CC..EExtended strand (participates in β ladder)trans-94.1123.3168.8-68.3-73.5000109.8L278 F282 A594 W595 G622 V623 D625 H648L278-F635 HydrophobicContact CD1-CZ 4.49Å; L278-F635 HydrophobicContact CD2-CE1 3.74Å; L278-F635 HydrophobicContact CD2-CE2 4.33Å; L278-F635 HydrophobicContact CD2-CZ 3.55Å; F282-F635 HydrophobicContact CD2-CB 4.05Å; F282-F635 HydrophobicContact CE2-CB 3.47Å; F282-F635 VanDerWaalsContact CE2-CB 3.47Å; F282-F635 HydrophobicContact CE2-CG 4.4Å; F282-F635 HydrophobicContact CZ-CB 4.33Å; A594-F635 HydrophobicContact CB-CD1 3.82Å; A594-F635 HydrophobicContact CB-CD2 3.87Å; A594-F635 HydrophobicContact CB-CE1 3.56Å; A594-F635 HydrophobicContact CB-CE2 3.62Å; A594-F635 HydrophobicContact CB-CG 3.96Å; A594-F635 HydrophobicContact CB-CZ 3.45Å; A594-F635 VanDerWaalsContact CB-CZ 3.45Å; A594-F635 WeakPolarHBondContact O-CE1 3.25Å; W595-F635 HydrophobicContact CB-CE1 4.18Å; W595-F635 HydrophobicContact CB-CZ 4.18Å; W595-F635 AromaticContact CD1-CZ 3.55Å; W595-F635 AromaticContact CD2-CZ 3.97Å; W595-F635 HydrophobicContact CD2-CZ 3.97Å; W595-F635 AromaticContact CE2-CZ 3.98Å; W595-F635 HydrophobicContact CG-CE1 4.18Å; W595-F635 AromaticContact CG-CZ 3.68Å; W595-F635 HydrophobicContact CG-CZ 3.68Å; W595-F635 AromaticContact NE1-CZ 3.72Å; G622-F635 CarbonylContact C-O 3.56Å; G622-F635 VanDerWaalsContact CA-O 3.31Å; G622-F635 WeakPolarHBondContact CA-O 3.22Å; V623-F635 PolarHBondContact N-O 3.39Å; V623-F635 PolarHBondContact O-N 3.21Å; D625-F635 HydrophobicContact CB-CD2 4.21Å; D625-F635 HydrophobicContact CB-CE2 3.87Å; F635-H648 AromaticContact CD1-ND1 3.77Å
636L92.3Very high86.5Confident0 Ų041.7 Ų41.70%023%0.23CC..EExtended strand (participates in β ladder)trans-102.3139.3-179.9-64.2178.9000112.8V475 V477 F486 L593 F611 L620 I634 F647V475-L636 HydrophobicContact CG2-CD2 3.84Å; V477-L636 HydrophobicContact CG2-CD1 4.03Å; F486-L636 HydrophobicContact CE2-CD1 3.9Å; F486-L636 HydrophobicContact CZ-CD1 3.85Å; L593-L636 HydrophobicContact CD1-CB 4.14Å; L593-L636 HydrophobicContact CD1-CD1 4.48Å; L593-L636 HydrophobicContact CD1-CG 4.19Å; F611-L636 HydrophobicContact CE2-CD1 4.19Å; F611-L636 HydrophobicContact CZ-CD1 4.14Å; L620-L636 HydrophobicContact CD1-CD1 4.43Å; I634-L636 HydrophobicContact CD1-CD2 3.98Å; I634-L636 HydrophobicContact CG1-CD2 4.19Å; I634-L636 HydrophobicContact CG2-CD2 4.43Å; I634-L636 HydrophobicContact CG2-CG 4.48Å; L636-F647 HydrophobicContact CB-CB 4.35Å; L636-F647 HydrophobicContact CB-CD2 3.56Å; L636-F647 HydrophobicContact CB-CE2 3.94Å; L636-F647 HydrophobicContact CB-CG 3.96Å; L636-F647 HydrophobicContact CD1-CD2 3.94Å; L636-F647 HydrophobicContact CD1-CE2 4.08Å; L636-F647 HydrophobicContact CG-CD2 4.42Å; L636-F647 PolarHBondContact O-N 2.98Å
637C88.7Confident86.6Confident0 Ų037.9 Ų37.90%021%0.212CC..EExtended strand (participates in β ladder)trans-136.3135.8177.6-176.10000111.1F282 V621 V645 Y646F282-C637 HydrophobicContact CE1-CB 3.65Å; F282-C637 HydrophobicContact CZ-CB 3.78Å; V621-C637 HydrophobicContact CB-CB 4.41Å; V621-C637 PolarHBondContact N-O 3.18Å; V621-C637 PolarHBondContact O-N 2.74Å; C637-V645 WeakPolarHBondContact CA-O 3.36Å; C637-Y646 HydrophobicContact CB-CD1 3.94Å; C637-Y646 HydrophobicContact CB-CE1 4.31Å; C637-Y646 VanDerWaalsContact SG-CD1 3.51Å; C637-Y646 WeakPolarHBondContact SG-CE1 3.33Å
638D88.6Confident86.5Confident16 Ų1634.8 Ų34.89%0.08620%0.2CC..EExtended strand (participates in β ladder)trans-94.3118.9164.7173.418.5000110K618 L620 S640 V645 F647K618-D638 VanDerWaalsContact CE-OD2 3.31Å; K618-D638 WeakPolarHBondContact CE-OD2 3.16Å; K618-D638 VanDerWaalsContact NZ-CG 3.35Å; K618-D638 IonicContact NZ-OD2 2.85Å; K618-D638 PolarHBondContact NZ-OD2 3.39Å; L620-D638 HydrophobicContact CD2-CB 3.95Å; D638-S640 WeakPolarHBondContact OD1-CB 3.5Å; D638-S640 PolarHBondContact OD1-N 3Å; D638-S640 PolarHBondContact OD1-OG 2.9Å; D638-S640 PolarHBondContact OD2-OG 3.05Å; D638-V645 HydrophobicContact CB-CB 4.29Å; D638-V645 PolarHBondContact N-O 2.65Å; D638-V645 PolarHBondContact O-N 3.27Å; D638-F647 HydrophobicContact CB-CE1 3.84Å; D638-F647 HydrophobicContact CB-CZ 4.41Å
639T81.7Confident86.5Confident2 Ų236.8 Ų36.81%0.01221%0.207CC..  trans-114.423.9177.468.60000112.1V621 S641 A959V621-T639 HydrophobicContact CB-CG2 4.28Å; V621-T639 HydrophobicContact CG2-CG2 3.87Å; T639-S641 VanDerWaalsContact C-N 3.29Å; T639-A959 WeakPolarHBondContact OG1-CA 3.26Å
640S75Confident86.9Confident55 Ų5531.8 Ų31.839%0.38518%0.181SC..SBendtrans-79.8-9.3177.266.40000113.8D638D638-S640 WeakPolarHBondContact OD1-CB 3.5Å; D638-S640 PolarHBondContact OD1-N 3Å; D638-S640 PolarHBondContact OD1-OG 2.9Å; D638-S640 PolarHBondContact OD2-OG 3.05Å
641S75.3Confident87.2Confident53 Ų5330 Ų3037%0.37116%0.163SC..SBendtrans-108177.6177106.90000112.1T639 E643T639-S641 VanDerWaalsContact C-N 3.29Å; S641-E643 PolarHBondContact O-N 3.42Å; S641-E643 PolarHBondContact OG-N 2.85Å; S641-E643 PolarHBondContact OG-O 3.29Å
642N71.5Confident87.1Confident141 Ų14133.4 Ų33.475%0.75418%0.175SC*.SBendtrans-69.9-17.4170.962-76.9000113.3
643E75.5Confident87Confident138 Ų13838.1 Ų38.165%0.64520%0.204SC*.SBendtrans-114145.4173.2-74.1171.4-148.900110.9S641S641-E643 PolarHBondContact O-N 3.42Å; S641-E643 PolarHBondContact OG-N 2.85Å; S641-E643 PolarHBondContact OG-O 3.29Å
644D82.8Confident87Confident34 Ų3442 Ų4218%0.18222%0.222CC..  trans-88.7120.1-179.7-70.77000110.3Y646 R962D644-Y646 HydrophobicContact CB-CE1 3.76Å; D644-Y646 HydrophobicContact CB-CE2 4.2Å; D644-Y646 VanDerWaalsContact CB-CZ 3.47Å; D644-Y646 WeakPolarHBondContact CB-OH 3.49Å; D644-Y646 PolarHBondContact OD2-OH 3.3Å; D644-R962 IonicContact OD1-CZ 2.91Å; D644-R962 IonicContact OD1-NH1 3.6Å; D644-R962 PolarHBondContact OD1-NH1 2.59Å; D644-R962 IonicContact OD1-NH2 3.44Å; D644-R962 PolarHBondContact OD1-NH2 2.88Å; D644-R962 IonicContact OD2-CZ 2.66Å; D644-R962 IonicContact OD2-NH1 3.84Å; D644-R962 PolarHBondContact OD2-NH1 3.23Å
645V86.6Confident87Confident47 Ų4744.4 Ų44.429%0.28525%0.246SC..EExtended strand (participates in β ladder)trans-103.399.1-175.4-176.40000110.2L614 C637 D638 F647 V650L614-V645 HydrophobicContact CD2-CG1 4.18Å; C637-V645 WeakPolarHBondContact CA-O 3.36Å; D638-V645 HydrophobicContact CB-CB 4.29Å; D638-V645 PolarHBondContact N-O 2.65Å; D638-V645 PolarHBondContact O-N 3.27Å; V645-F647 WeakPolarHBondContact O-CD1 3.42Å; V645-V650 HydrophobicContact CG1-CG2 3.62Å
646Y88.8Confident87.1Confident17 Ų1744.9 Ų44.97%0.06725%0.249CC..EExtended strand (participates in β ladder)trans-80.3122.1178.5-44.9-64.6000111.4E279 F282 K283 I286 C637 D644 H648 H649 V650E279-Y646 HydrophobicContact CG-CD2 4.03Å; E279-Y646 HydrophobicContact CG-CE2 4.19Å; F282-Y646 AromaticContact CD1-CD1 3.55Å; F282-Y646 HydrophobicContact CD1-CD1 3.55Å; F282-Y646 AromaticContact CD1-CE1 3.36Å; F282-Y646 HydrophobicContact CD1-CE1 3.36Å; F282-Y646 AromaticContact CE1-CD1 3.4Å; F282-Y646 HydrophobicContact CE1-CD1 3.4Å; F282-Y646 VanDerWaalsContact CE1-CD1 3.4Å; F282-Y646 AromaticContact CE1-CE1 3.41Å; F282-Y646 HydrophobicContact CE1-CE1 3.41Å; F282-Y646 VanDerWaalsContact CE1-CE1 3.41Å; F282-Y646 HydrophobicContact CZ-CD1 4.4Å; K283-Y646 VanDerWaalsContact CE-CE2 3.47Å; K283-Y646 HydrophobicContact CG-CE2 4.3Å; K283-Y646 WeakPolarHBondContact CG-OH 3.47Å; I286-Y646 HydrophobicContact CD1-CE1 4.45Å; C637-Y646 HydrophobicContact CB-CD1 3.94Å; C637-Y646 HydrophobicContact CB-CE1 4.31Å; C637-Y646 VanDerWaalsContact SG-CD1 3.51Å; C637-Y646 WeakPolarHBondContact SG-CE1 3.33Å; D644-Y646 HydrophobicContact CB-CE1 3.76Å; D644-Y646 HydrophobicContact CB-CE2 4.2Å; D644-Y646 VanDerWaalsContact CB-CZ 3.47Å; D644-Y646 WeakPolarHBondContact CB-OH 3.49Å; D644-Y646 PolarHBondContact OD2-OH 3.3Å; Y646-H648 PolarHBondContact O-N 3.41Å; Y646-H649 WeakPolarHBondContact O-CB 3.39Å; Y646-H649 PolarHBondContact O-N 3.11Å; Y646-V650 PolarHBondContact O-N 3.47Å
647F93Very high87.1Confident0 Ų045.1 Ų45.10%025%0.251CS..Hα-helixtrans-68.2-35.4-167.6-70.410.2000112.8L593 F611 L614 C615 L620 L636 D638 V645 H649 V650 L651L593-F647 HydrophobicContact CD1-CB 4.45Å; L593-F647 HydrophobicContact CD2-CB 4.25Å; F611-F647 HydrophobicContact CD2-CD2 4.24Å; F611-F647 AromaticContact CE2-CD2 3.94Å; F611-F647 HydrophobicContact CE2-CD2 3.94Å; L614-F647 VanDerWaalsContact C-CZ 3.43Å; L614-F647 HydrophobicContact CB-CD1 4.13Å; L614-F647 HydrophobicContact CB-CD2 4.13Å; L614-F647 HydrophobicContact CB-CE1 4Å; L614-F647 HydrophobicContact CB-CE2 4.01Å; L614-F647 HydrophobicContact CB-CG 4.2Å; L614-F647 HydrophobicContact CB-CZ 3.94Å; L614-F647 HydrophobicContact CD1-CB 4.46Å; L614-F647 HydrophobicContact CD1-CG 4.39Å; L614-F647 HydrophobicContact CD2-CD1 4.39Å; L614-F647 HydrophobicContact CD2-CE1 4.48Å; L614-F647 WeakPolarHBondContact O-CZ 3.46Å; C615-F647 HydrophobicContact CB-CE2 4.43Å; L620-F647 HydrophobicContact CD1-CE2 3.61Å; L620-F647 HydrophobicContact CD1-CZ 3.6Å; L620-F647 HydrophobicContact CD2-CE1 4.41Å; L620-F647 HydrophobicContact CD2-CZ 3.69Å; L620-F647 HydrophobicContact CG-CZ 4.3Å; L636-F647 HydrophobicContact CB-CB 4.35Å; L636-F647 HydrophobicContact CB-CD2 3.56Å; L636-F647 HydrophobicContact CB-CE2 3.94Å; L636-F647 HydrophobicContact CB-CG 3.96Å; L636-F647 HydrophobicContact CD1-CD2 3.94Å; L636-F647 HydrophobicContact CD1-CE2 4.08Å; L636-F647 HydrophobicContact CG-CD2 4.42Å; L636-F647 PolarHBondContact O-N 2.98Å; D638-F647 HydrophobicContact CB-CE1 3.84Å; D638-F647 HydrophobicContact CB-CZ 4.41Å; V645-F647 WeakPolarHBondContact O-CD1 3.42Å; F647-H649 VanDerWaalsContact C-N 3.27Å; F647-H649 PolarHBondContact O-N 3.14Å; F647-V650 PolarHBondContact O-N 3.4Å; F647-L651 WeakPolarHBondContact O-CG 3.34Å; F647-L651 PolarHBondContact O-N 3.44Å
648H89.6Confident87.1Confident5 Ų548.2 Ų48.22%0.02327%0.266CS..Hα-helixtrans-64.4-31.5174.664.5-99.7000112.3V596 F635 Y646 R652V596-H648 HydrophobicContact CG1-CB 3.78Å; F635-H648 AromaticContact CD1-ND1 3.77Å; Y646-H648 PolarHBondContact O-N 3.41Å; H648-R652 VanDerWaalsContact O-CB 3.28Å; H648-R652 WeakPolarHBondContact O-CB 3.48Å; H648-R652 PolarHBondContact O-N 3.21Å; H648-R652 VanDerWaalsContact O-N 3.13Å
649H88.4Confident86.9Confident74 Ų7449.1 Ų49.134%0.34327%0.273SS..Hα-helixtrans-69.4-49.7175.4-174.6116000110.1E279 Y646 F647 L651 R652 T653E279-H649 IonicContact OE2-CE1 3.7Å; E279-H649 IonicContact OE2-CG 2.65Å; E279-H649 IonicContact OE2-ND1 3.73Å; E279-H649 PolarHBondContact OE2-ND1 3.3Å; Y646-H649 WeakPolarHBondContact O-CB 3.39Å; Y646-H649 PolarHBondContact O-N 3.11Å; F647-H649 VanDerWaalsContact C-N 3.27Å; F647-H649 PolarHBondContact O-N 3.14Å; H649-L651 PolarHBondContact O-N 3.37Å; H649-R652 PolarHBondContact O-N 3.25Å; H649-T653 PolarHBondContact CD2-OG1 3.41Å; H649-T653 PolarHBondContact NE2-OG1 3.1Å; H649-T653 WeakPolarHBondContact O-CB 3.49Å; H649-T653 PolarHBondContact O-N 3.29Å; H649-T653 PolarHBondContact O-OG1 3.19Å
650V92.6Very high86.9Confident25 Ų2550.4 Ų50.415%0.15228%0.281CS..Hα-helixtrans-60.5-49.3-179.5-178.40000111.1L614 V645 Y646 F647 R652 T653 E654L614-V650 HydrophobicContact CD1-CB 3.93Å; L614-V650 HydrophobicContact CD1-CG1 3.93Å; L614-V650 HydrophobicContact CD2-CB 4.31Å; L614-V650 HydrophobicContact CD2-CG1 4.17Å; L614-V650 HydrophobicContact CD2-CG2 4.14Å; V645-V650 HydrophobicContact CG1-CG2 3.62Å; Y646-V650 PolarHBondContact O-N 3.47Å; F647-V650 PolarHBondContact O-N 3.4Å; V650-R652 VanDerWaalsContact C-N 3.27Å; V650-R652 PolarHBondContact O-N 3.3Å; V650-T653 PolarHBondContact O-N 2.79Å; V650-E654 HydrophobicContact CG1-CG 4.27Å; V650-E654 WeakPolarHBondContact O-CB 2.98Å; V650-E654 PolarHBondContact O-N 2.95Å
651L93.9Very high86.5Confident0 Ų054.9 Ų54.90%029%0.29CS..Hα-helixtrans-63-32.3178.9-65.8170.4000112.3P483 L593 Q610 F611 L614 F647 H649 H656 A657P483-L651 HydrophobicContact CB-CD1 4.36Å; P483-L651 HydrophobicContact CG-CD1 4.34Å; L593-L651 HydrophobicContact CD2-CD1 3.71Å; Q610-L651 HydrophobicContact CG-CD2 4.33Å; F611-L651 HydrophobicContact CD2-CD1 4.13Å; L614-L651 HydrophobicContact CD1-CD2 4.5Å; L614-L651 HydrophobicContact CD1-CG 4.38Å; F647-L651 WeakPolarHBondContact O-CG 3.34Å; F647-L651 PolarHBondContact O-N 3.44Å; H649-L651 PolarHBondContact O-N 3.37Å; L651-H656 HydrophobicContact CB-CB 4.34Å; L651-H656 HydrophobicContact CD2-CB 4.03Å; L651-H656 CarbonylContact O-C 3.48Å; L651-H656 WeakPolarHBondContact O-CA 3.29Å; L651-H656 WeakPolarHBondContact O-CB 3.33Å; L651-H656 PolarHBondContact O-N 2.95Å; L651-A657 HydrophobicContact CB-CB 3.77Å; L651-A657 PolarHBondContact O-N 2.76Å
652R91.9Very high86.7Confident84 Ų8459.3 Ų59.332%0.31730%0.304SS..Hα-helixtrans-68.4-51.3172.1-175.7-169.4-178.3-160.8-0.6111.6T272 L275 H648 H649 V650 E654 G655 V659T272-R652 PolarHBondContact OG1-NH2 2.8Å; L275-R652 VanDerWaalsContact CD1-NH1 3.28Å; H648-R652 VanDerWaalsContact O-CB 3.28Å; H648-R652 WeakPolarHBondContact O-CB 3.48Å; H648-R652 PolarHBondContact O-N 3.21Å; H648-R652 VanDerWaalsContact O-N 3.13Å; H649-R652 PolarHBondContact O-N 3.25Å; V650-R652 VanDerWaalsContact C-N 3.27Å; V650-R652 PolarHBondContact O-N 3.3Å; R652-E654 VanDerWaalsContact C-N 3.32Å; R652-E654 PolarHBondContact O-N 2.8Å; R652-G655 PolarHBondContact O-N 3.12Å; R652-G655 VanDerWaalsContact O-N 3.11Å; R652-V659 HydrophobicContact CB-CG2 4.44Å; R652-V659 HydrophobicContact CG-CG2 4.32Å
653T91.8Very high87.3Confident99 Ų9953.7 Ų53.761%0.60727%0.274SS*.Hα-helixtrans-67.6-30.3-172.8-66.60000112.6H649 V650 G655H649-T653 PolarHBondContact CD2-OG1 3.41Å; H649-T653 PolarHBondContact NE2-OG1 3.1Å; H649-T653 WeakPolarHBondContact O-CB 3.49Å; H649-T653 PolarHBondContact O-N 3.29Å; H649-T653 PolarHBondContact O-OG1 3.19Å; V650-T653 PolarHBondContact O-N 2.79Å; T653-G655 VanDerWaalsContact C-N 3.31Å
654E94Very high87.4Confident87 Ų8751.7 Ų51.741%0.40727%0.267SS..THydrogen-bonded Turntrans-86.13.8174.4-65.7-179.4165.300114.3Q610 V650 R652 H656Q610-E654 WeakPolarHBondContact CG-OE2 3.37Å; Q610-E654 PolarHBondContact NE2-OE1 2.9Å; Q610-E654 PolarHBondContact NE2-OE2 2.82Å; V650-E654 HydrophobicContact CG1-CG 4.27Å; V650-E654 WeakPolarHBondContact O-CB 2.98Å; V650-E654 PolarHBondContact O-N 2.95Å; R652-E654 VanDerWaalsContact C-N 3.32Å; R652-E654 PolarHBondContact O-N 2.8Å; E654-H656 IonicContact OE2-CD2 3.87Å
655G93Very high87.2Confident50 Ų5052.7 Ų52.752%0.51528%0.277SS..THydrogen-bonded Turntrans74.130.317800000114.3R652 T653R652-G655 PolarHBondContact O-N 3.12Å; R652-G655 VanDerWaalsContact O-N 3.11Å; T653-G655 VanDerWaalsContact C-N 3.31Å
656H94.6Very high86.8Confident16 Ų1651.1 Ų51.17%0.07427%0.268CS..SBendtrans-102.1-28.5179.3-74-44.2000114W603 K606 A607 L651 E654W603-H656 WeakPolarHBondContact CZ3-O 3.48Å; K606-H656 WeakPolarHBondContact CE-NE2 3.41Å; K606-H656 PolarHBondContact NZ-CE1 2.78Å; K606-H656 VanDerWaalsContact NZ-CE1 3.3Å; K606-H656 PolarHBondContact NZ-NE2 3.18Å; A607-H656 HydrophobicContact CB-CB 3.75Å; L651-H656 HydrophobicContact CB-CB 4.34Å; L651-H656 HydrophobicContact CD2-CB 4.03Å; L651-H656 CarbonylContact O-C 3.48Å; L651-H656 WeakPolarHBondContact O-CA 3.29Å; L651-H656 WeakPolarHBondContact O-CB 3.33Å; L651-H656 PolarHBondContact O-N 2.95Å; E654-H656 IonicContact OE2-CD2 3.87Å
657A92.4Very high86.3Confident5 Ų555.1 Ų55.14%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-128145.8-178.800000113.1V596 R597 W603 L651V596-A657 HydrophobicContact CB-CB 4.13Å; V596-A657 HydrophobicContact CG1-CB 4.19Å; R597-A657 CarbonylContact O-C 3.49Å; R597-A657 WeakPolarHBondContact O-CA 2.93Å; W603-A657 HydrophobicContact CH2-CB 3.8Å; W603-A657 HydrophobicContact CZ3-CB 3.91Å; L651-A657 HydrophobicContact CB-CB 3.77Å; L651-A657 PolarHBondContact O-N 2.76Å
658I89Confident85.7Confident64 Ų6455.9 Ų55.933%0.32829%0.294SS..EExtended strand (participates in β ladder)trans-104.9138.9162.7-65.4176.9000108.2R597 V599R597-I658 HydrophobicContact CG-CB 4.17Å; R597-I658 WeakPolarHBondContact CG-O 3.44Å; R597-I658 PolarHBondContact N-O 2.84Å; R597-I658 PolarHBondContact O-N 3.43Å; V599-I658 HydrophobicContact CB-CD1 4.41Å; V599-I658 HydrophobicContact CB-CG1 4.47Å; V599-I658 HydrophobicContact CG1-CD1 4.31Å; V599-I658 HydrophobicContact CG2-CD1 4.42Å; V599-I658 HydrophobicContact CG2-CG1 4.01Å
659V83.8Confident85.5Confident36 Ų3656.2 Ų56.222%0.21830%0.295CS..EExtended strand (participates in β ladder)trans-91.2128.2-177.5176.40000110.6L275 W595 V596 R652L275-V659 HydrophobicContact CD1-CB 4.31Å; L275-V659 HydrophobicContact CD1-CG1 4.12Å; L275-V659 HydrophobicContact CD1-CG2 3.75Å; L275-V659 HydrophobicContact CG-CG1 4.18Å; W595-V659 CarbonylContact O-C 3.21Å; W595-V659 WeakPolarHBondContact O-CA 3.33Å; V596-V659 HydrophobicContact CG1-CG2 4.26Å; R652-V659 HydrophobicContact CB-CG2 4.44Å; R652-V659 HydrophobicContact CG-CG2 4.32Å
660C81.2Confident84.9Confident28 Ų2857.3 Ų57.319%0.18931%0.311CS..  trans-95.3176.4179.5-74.80000111.8W595 R597 E662W595-C660 PolarHBondContact O-N 3.33Å; R597-C660 VanDerWaalsContact CG-SG 3.58Å; C660-E662 WeakPolarHBondContact CB-O 3.4Å
661R66.5Low84.2Confident149 Ų14961.6 Ų61.656%0.56233%0.329SS*.SBendtrans-102-12.4175.5-67.3-176.4174.5-167.41.1113.7
662E80.4Confident83.5Confident146 Ų14666.2 Ų66.268%0.68235%0.353SS*.SBendtrans-146.2151.2-168.6-74.8149.1-136.500106.3C660C660-E662 WeakPolarHBondContact CB-O 3.4Å
663N83.8Confident83.1Confident23 Ų2363 Ų6312%0.12334%0.342CS..  trans-74.4142.6172-67.8-58.8000110.6A594 W595 D625 E626 N633A594-N663 WeakPolarHBondContact CA-OD1 3.13Å; W595-N663 PolarHBondContact N-OD1 3.25Å; D625-N663 PolarHBondContact OD2-ND2 3.29Å; E626-N663 WeakPolarHBondContact CG-ND2 3.48Å; E626-N663 PolarHBondContact OE1-ND2 3.5Å; N633-N663 HydrophobicContact CB-CB 4.33Å; N633-N663 VanDerWaalsContact CG-CG 3.42Å
664I78.2Confident82.7Confident96 Ų9658.4 Ų58.449%0.49232%0.315SS..  trans-108.4119.1179.3-60.3177.2000107.4R597 S666R597-I664 HydrophobicContact CB-CD1 4.27Å; I664-S666 PolarHBondContact O-N 3.24Å
665S77Confident82.2Confident55 Ų5554.7 Ų54.739%0.38530%0.298SS..  trans-53.8128.5175.9-59.40000110.4V628 D629 K667V628-S665 VanDerWaalsContact CG1-OG 3.31Å; V628-S665 WeakPolarHBondContact CG1-OG 3.33Å; D629-S665 WeakPolarHBondContact OD2-CB 3.45Å; D629-S665 PolarHBondContact OD2-OG 2.87Å; S665-K667 PolarHBondContact O-N 3.18Å
666S78.3Confident81.9Confident14 Ų1454.5 Ų54.510%0.09829%0.291CS..  trans-69120-174.8-1760000111.4S484 I664 G668 F669 S670S484-S666 WeakPolarHBondContact O-CB 3.4Å; S484-S666 PolarHBondContact O-OG 3.42Å; I664-S666 PolarHBondContact O-N 3.24Å; S666-G668 VanDerWaalsContact C-N 3.27Å; S666-G668 PolarHBondContact O-N 3.39Å; S666-F669 PolarHBondContact O-N 3.33Å; S666-F669 VanDerWaalsContact O-N 3.13Å; S666-S670 PolarHBondContact O-N 2.94Å
667K79.9Confident81.4Confident101 Ų10158.1 Ų58.144%0.43931%0.311SS..Hα-helixtrans-46.3-52.6176.3-70.6-174.4-178.7179.90110.8E601 H602 S665 F669 S670 E671E601-K667 IonicContact OE1-NZ 3.93Å; E601-K667 PolarHBondContact OE1-NZ 2.9Å; H602-K667 PolarHBondContact NE2-NZ 2.9Å; S665-K667 PolarHBondContact O-N 3.18Å; K667-F669 PolarHBondContact O-N 3.49Å; K667-S670 WeakPolarHBondContact O-CA 3.3Å; K667-S670 WeakPolarHBondContact O-CB 3.43Å; K667-S670 PolarHBondContact O-N 3.14Å; K667-S670 PolarHBondContact O-OG 3.48Å; K667-E671 PolarHBondContact O-N 3.08Å
668G79.3Confident81.1Confident17 Ų1759.4 Ų59.418%0.17532%0.315CS..Hα-helixtrans-61.5-35.9-177.100000114.7Q485 S666 L672Q485-G668 VanDerWaalsContact NE2-C 3.34Å; S666-G668 VanDerWaalsContact C-N 3.27Å; S666-G668 PolarHBondContact O-N 3.39Å; G668-L672 PolarHBondContact O-N 2.95Å
669F85.7Confident80.8Confident12 Ų1256.7 Ų56.75%0.05330%0.301CS..Hα-helixtrans-78.3-24.5173.4-74.3-45.4000113.5Q485 Y487 P590 C591 I631 S666 K667 E671 L672 N673Q485-F669 HydrophobicContact CB-CE2 4.24Å; Q485-F669 HydrophobicContact CB-CZ 4.41Å; Q485-F669 HydrophobicContact CG-CD1 3.95Å; Q485-F669 HydrophobicContact CG-CD2 3.96Å; Q485-F669 HydrophobicContact CG-CE1 3.64Å; Q485-F669 HydrophobicContact CG-CE2 3.69Å; Q485-F669 HydrophobicContact CG-CG 4.1Å; Q485-F669 HydrophobicContact CG-CZ 3.52Å; Y487-F669 HydrophobicContact CE1-CE1 4.49Å; Y487-F669 AromaticContact CE2-CE1 4Å; Y487-F669 HydrophobicContact CE2-CE1 4Å; Y487-F669 HydrophobicContact CE2-CZ 4.22Å; Y487-F669 AromaticContact CZ-CE1 3.79Å; P590-F669 HydrophobicContact CB-CE1 3.85Å; P590-F669 HydrophobicContact CB-CE2 3.99Å; P590-F669 HydrophobicContact CB-CZ 3.54Å; C591-F669 WeakPolarHBondContact O-CE2 3.47Å; I631-F669 HydrophobicContact CB-CD2 4.45Å; I631-F669 HydrophobicContact CD1-CB 3.71Å; I631-F669 HydrophobicContact CD1-CD1 4.24Å; I631-F669 HydrophobicContact CD1-CD2 3.65Å; I631-F669 HydrophobicContact CD1-CE2 4.25Å; I631-F669 HydrophobicContact CD1-CG 3.63Å; I631-F669 HydrophobicContact CG1-CB 4.03Å; I631-F669 HydrophobicContact CG1-CD2 3.91Å; I631-F669 HydrophobicContact CG1-CG 4.2Å; I631-F669 HydrophobicContact CG2-CD2 3.68Å; I631-F669 HydrophobicContact CG2-CE2 3.8Å; S666-F669 PolarHBondContact O-N 3.33Å; S666-F669 VanDerWaalsContact O-N 3.13Å; K667-F669 PolarHBondContact O-N 3.49Å; F669-E671 VanDerWaalsContact C-N 3.32Å; F669-L672 CarbonylContact O-C 3.57Å; F669-N673 HydrophobicContact CD1-CB 4.41Å
670S76.6Confident80.7Confident96 Ų9657.6 Ų57.667%0.67131%0.306SS*.Hα-helixtrans-73.2-2617276.80000112.7S666 K667S666-S670 PolarHBondContact O-N 2.94Å; K667-S670 WeakPolarHBondContact O-CA 3.3Å; K667-S670 WeakPolarHBondContact O-CB 3.43Å; K667-S670 PolarHBondContact O-N 3.14Å; K667-S670 PolarHBondContact O-OG 3.48Å
671E77.8Confident80.1Confident115 Ų11560 Ų6054%0.53732%0.324SS..Hα-helixtrans-77.7-54.9171-69.6162.6-145.100111.1K667 F669K667-E671 PolarHBondContact O-N 3.08Å; F669-E671 VanDerWaalsContact C-N 3.32Å
672L77.8Confident79.6Confident97 Ų9756.6 Ų56.651%0.50832%0.323SS..  trans-143.3119.2178-71.3175.5000112.6G668 F669 L677G668-L672 PolarHBondContact O-N 2.95Å; F669-L672 CarbonylContact O-C 3.57Å; L672-L677 HydrophobicContact CD2-CD1 4.27Å
673N84.7Confident77.5Confident16 Ų1652.8 Ų52.89%0.08632%0.323CS..  trans-120.392.5163.5179.9-10.1000109.5I631 F669 L675 A676 L677I631-N673 VanDerWaalsContact CD1-ND2 3.29Å; I631-N673 WeakPolarHBondContact CD1-ND2 3.41Å; F669-N673 HydrophobicContact CD1-CB 4.41Å; N673-L675 PolarHBondContact O-N 3.27Å; N673-L675 WeakPolarHBondContact OD1-CB 3.39Å; N673-L675 PolarHBondContact OD1-N 2.99Å; N673-A676 HydrophobicContact CB-CB 3.99Å; N673-A676 PolarHBondContact O-N 2.69Å; N673-A676 PolarHBondContact OD1-N 3.47Å; N673-A676 VanDerWaalsContact OD1-N 3.17Å; N673-L677 WeakPolarHBondContact O-CG 3.21Å; N673-L677 PolarHBondContact O-N 2.72Å; N673-L677 VanDerWaalsContact O-N 3.08Å
674P82.5Confident75.1Confident4 Ų453.1 Ų53.13%0.02633%0.332CS..Hα-helixtrans-54.9-34.8-178.8-2734000113.8F559 I566 L677 Y678F559-P674 HydrophobicContact CB-CB 4.27Å; F559-P674 HydrophobicContact CD1-CB 3.97Å; F559-P674 HydrophobicContact CD2-CB 3.63Å; F559-P674 HydrophobicContact CD2-CG 4.14Å; F559-P674 HydrophobicContact CE1-CB 4.18Å; F559-P674 HydrophobicContact CE2-CB 3.86Å; F559-P674 HydrophobicContact CE2-CG 4.34Å; F559-P674 HydrophobicContact CG-CB 3.68Å; F559-P674 HydrophobicContact CZ-CB 4.14Å; I566-P674 HydrophobicContact CD1-CG 4.11Å; P674-L677 PolarHBondContact O-N 3.46Å; P674-Y678 HydrophobicContact CB-CD2 4.36Å; P674-Y678 HydrophobicContact CB-CE2 4.33Å; P674-Y678 WeakPolarHBondContact O-CD2 3.39Å; P674-Y678 PolarHBondContact O-N 3.14Å; P674-Y678 VanDerWaalsContact O-N 3.13Å
675L84.7Confident73Confident9 Ų953.8 Ų53.85%0.04734%0.342CS..Hα-helixtrans-64-48.3177.3-166.174.6000110.3R463 F559 P561 A586 A588 P590 N673 L677 Y678 T679R463-L675 HydrophobicContact CG-CD2 4.33Å; R463-L675 HydrophobicContact CG-CG 4.35Å; F559-L675 HydrophobicContact CE1-CB 4.24Å; F559-L675 HydrophobicContact CE1-CD1 3.94Å; F559-L675 HydrophobicContact CZ-CB 4.09Å; F559-L675 HydrophobicContact CZ-CD1 4.19Å; P561-L675 HydrophobicContact CB-CD1 4.47Å; A586-L675 HydrophobicContact CB-CD1 3.8Å; A588-L675 VanDerWaalsContact O-CD2 3.27Å; A588-L675 WeakPolarHBondContact O-CD2 3.36Å; P590-L675 HydrophobicContact CG-CD2 4.35Å; N673-L675 PolarHBondContact O-N 3.27Å; N673-L675 WeakPolarHBondContact OD1-CB 3.39Å; N673-L675 PolarHBondContact OD1-N 2.99Å; L675-L677 VanDerWaalsContact C-N 3.31Å; L675-L677 PolarHBondContact O-N 3.13Å; L675-Y678 PolarHBondContact O-N 3.44Å; L675-T679 HydrophobicContact CD1-CG2 3.65Å; L675-T679 HydrophobicContact CG-CG2 4.21Å; L675-T679 WeakPolarHBondContact O-CB 3.49Å; L675-T679 PolarHBondContact O-N 3.35Å; L675-T679 PolarHBondContact O-OG1 3.39Å
676A85.2Confident71.3Confident46 Ų4659.7 Ų59.738%0.3836%0.364SS..Hα-helixtrans-64.2-32.7178.200000113.4N673N673-A676 HydrophobicContact CB-CB 3.99Å; N673-A676 PolarHBondContact O-N 2.69Å; N673-A676 PolarHBondContact OD1-N 3.47Å; N673-A676 VanDerWaalsContact OD1-N 3.17Å
677L83.9Confident69.4Low92 Ų9263.1 Ų63.148%0.48238%0.381SS..Hα-helixtrans-67.1-42.3176.5-68.3173.2000112.6L672 N673 P674 L675L672-L677 HydrophobicContact CD2-CD1 4.27Å; N673-L677 WeakPolarHBondContact O-CG 3.21Å; N673-L677 PolarHBondContact O-N 2.72Å; N673-L677 VanDerWaalsContact O-N 3.08Å; P674-L677 PolarHBondContact O-N 3.46Å; L675-L677 VanDerWaalsContact C-N 3.31Å; L675-L677 PolarHBondContact O-N 3.13Å
678Y86.1Confident67.2Low32 Ų3263.8 Ų63.813%0.12539%0.388CS..Hα-helixtrans-105.7-16.5-167.2-57.8-53.6000115.7G529 I546 H548 P674 L675G529-Y678 VanDerWaalsContact CA-CD1 3.5Å; I546-Y678 HydrophobicContact CG2-CD1 4.16Å; I546-Y678 HydrophobicContact CG2-CD2 3.88Å; I546-Y678 HydrophobicContact CG2-CE2 4.48Å; I546-Y678 HydrophobicContact CG2-CG 3.71Å; H548-Y678 AromaticContact ND1-CE2 3.68Å; H548-Y678 AromaticContact ND1-CZ 3.72Å; H548-Y678 PolarHBondContact ND1-OH 2.84Å; H548-Y678 PolarHBondContact O-OH 3.12Å; P674-Y678 HydrophobicContact CB-CD2 4.36Å; P674-Y678 HydrophobicContact CB-CE2 4.33Å; P674-Y678 WeakPolarHBondContact O-CD2 3.39Å; P674-Y678 PolarHBondContact O-N 3.14Å; P674-Y678 VanDerWaalsContact O-N 3.13Å; L675-Y678 PolarHBondContact O-N 3.44Å
679T83.7Confident65Low7 Ų769.1 Ų69.14%0.04342%0.417CS..  trans-110.7143.8-173.865.50000114.4L461 R463 I546 A586 L675L461-T679 HydrophobicContact CB-CG2 4.4Å; L461-T679 CarbonylContact O-C 3.6Å; L461-T679 WeakPolarHBondContact O-CA 3.19Å; L461-T679 WeakPolarHBondContact O-CB 3.41Å; R463-T679 WeakPolarHBondContact CD-OG1 3.45Å; R463-T679 WeakPolarHBondContact CG-OG1 3.29Å; R463-T679 PolarHBondContact NE-OG1 3.36Å; R463-T679 PolarHBondContact NH2-O 2.94Å; I546-T679 HydrophobicContact CD1-CG2 4.45Å; A586-T679 HydrophobicContact CB-CG2 4.34Å; L675-T679 HydrophobicContact CD1-CG2 3.65Å; L675-T679 HydrophobicContact CG-CG2 4.21Å; L675-T679 WeakPolarHBondContact O-CB 3.49Å; L675-T679 PolarHBondContact O-N 3.35Å; L675-T679 PolarHBondContact O-OG1 3.39Å
680T80.6Confident62.8Low54 Ų5473.6 Ų73.633%0.33144%0.441SS..BIsolated β-bridgetrans-79.5149.6175.843.50000112.1K460 L461 R463K460-T680 HydrophobicContact CB-CG2 4.03Å; K460-T680 HydrophobicContact CD-CG2 4.15Å; L461-T680 PolarHBondContact O-N 3.04Å; L461-T680 PolarHBondContact O-OG1 2.81Å; R463-T680 PolarHBondContact N-O 3.41Å
681S69.1Low60.7Low80 Ų8073.6 Ų73.656%0.55944%0.437SS*.  trans-79.3147.4161.3-170.20000109.3G683S681-G683 PolarHBondContact O-N 2.95Å
682S55.3Low58.5Low76 Ų7677.1 Ų77.153%0.53145%0.453SS..SBendtrans-77.751.1-175.861.60000113.3
683G36.2Very low56.4Low67 Ų6778.4 Ų78.469%0.69146%0.46SS*.  trans-167.734.7-172.100000114.1S681S681-G683 PolarHBondContact O-N 2.95Å
684G35.1Very low53.6Low30 Ų3081.1 Ų81.131%0.30949%0.492SS..  trans-82.1147.7173.900000111.9E686 D687G684-E686 PolarHBondContact O-N 2.88Å; G684-D687 PolarHBondContact O-N 3.2Å
685P34.3Very low51.2Low109 Ų10989.3 Ų89.371%0.70852%0.524SS*.G310 helixtrans-68.4-11.7-179.728.3-35.4000114.2I688P685-I688 HydrophobicContact CB-CD1 4.32Å; P685-I688 WeakPolarHBondContact O-CB 3.46Å; P685-I688 WeakPolarHBondContact O-CD1 3.31Å; P685-I688 WeakPolarHBondContact O-CG1 3.13Å
686E39.6Very low48.5Very low179 Ų17993.2 Ų93.284%0.83655%0.549SS*.G310 helixtrans-77.1-24.9178.6-62.8-175.6163.200113G684 I688G684-E686 PolarHBondContact O-N 2.88Å; E686-I688 PolarHBondContact O-N 3.31Å
687D39.5Very low45.8Very low87 Ų8794.4 Ų94.447%0.46556%0.555SS.*G310 helixtrans-68.8-14.9176.7-74.7-52.9000112.9G684 V689 L690G684-D687 PolarHBondContact O-N 3.2Å; D687-V689 PolarHBondContact O-N 3.06Å; D687-V689 VanDerWaalsContact O-N 3.11Å; D687-L690 PolarHBondContact O-N 3.4Å
688I33.6Very low43.5Very low115 Ų11598 Ų9859%0.5957%0.57SS**G310 helixtrans-57.3-31.3-177.7-63.7176.4000111.8P685 E686 L690 T691P685-I688 HydrophobicContact CB-CD1 4.32Å; P685-I688 WeakPolarHBondContact O-CB 3.46Å; P685-I688 WeakPolarHBondContact O-CD1 3.31Å; P685-I688 WeakPolarHBondContact O-CG1 3.13Å; E686-I688 PolarHBondContact O-N 3.31Å; I688-L690 VanDerWaalsContact C-N 3.3Å; I688-L690 PolarHBondContact O-N 3.26Å; I688-T691 WeakPolarHBondContact O-CB 3.45Å; I688-T691 PolarHBondContact O-N 2.87Å; I688-T691 PolarHBondContact O-OG1 3.2Å
689V33.3Very low40.8Very low128 Ų128104 Ų10478%0.77660%0.599SS**G310 helixtrans-74.1-16.5-179.8-175.70000113D687D687-V689 PolarHBondContact O-N 3.06Å; D687-V689 VanDerWaalsContact O-N 3.11Å
690L38.7Very low38.3Very low106 Ų106110.3 Ų110.356%0.55563%0.628SS**G310 helixtrans-89.2-8.1174.4-72.8169.4000113.4D687 I688 E692 L693D687-L690 PolarHBondContact O-N 3.4Å; I688-L690 VanDerWaalsContact C-N 3.3Å; I688-L690 PolarHBondContact O-N 3.26Å; L690-E692 VanDerWaalsContact C-N 3.35Å; L690-E692 PolarHBondContact O-N 2.92Å; L690-L693 PolarHBondContact O-N 2.65Å
691T33Very low36.1Very low97 Ų97115.1 Ų115.160%0.59564%0.64SS**THydrogen-bonded Turntrans-70.5-24.2-174.4-51.90000113.7I688 L693I688-T691 WeakPolarHBondContact O-CB 3.45Å; I688-T691 PolarHBondContact O-N 2.87Å; I688-T691 PolarHBondContact O-OG1 3.2Å; T691-L693 PolarHBondContact O-N 3.39Å
692E31.7Very low34.2Very low188 Ų188117.6 Ų117.688%0.87964%0.642SS**THydrogen-bonded Turntrans-72.6-2.7179.3-66.5-162.8144.800114.5L690L690-E692 VanDerWaalsContact C-N 3.35Å; L690-E692 PolarHBondContact O-N 2.92Å
693L33.5Very low32.8Very low125 Ų125120.3 Ų120.365%0.65465%0.65SS**SBendtrans-110.853.8178.6-71.5176000113.7L690 T691 Y695L690-L693 PolarHBondContact O-N 2.65Å; T691-L693 PolarHBondContact O-N 3.39Å; L693-Y695 WeakPolarHBondContact O-CD2 3.43Å; L693-Y695 PolarHBondContact O-N 3.42Å
694G26.2Very low32.5Very low73 Ų73124 Ų12475%0.75365%0.649SS**  trans72.627.7150.700000117.3P696G694-P696 WeakPolarHBondContact O-CD 3.31Å
695Y32.4Very low32.3Very low176 Ų176129.7 Ų129.769%0.6967%0.673SS**PPolyproline II helixtrans-86.6123.4174.8-67-82000112.1L693 S697L693-Y695 WeakPolarHBondContact O-CD2 3.43Å; L693-Y695 PolarHBondContact O-N 3.42Å; Y695-S697 PolarHBondContact O-N 3.06Å
696P26.8Very low32Very low90 Ų90135.8 Ų135.858%0.58468%0.682SS**PPolyproline II helixtrans-65.4126.3157.4-13.829.2000108.7G694 M727G694-P696 WeakPolarHBondContact O-CD 3.31Å; P696-M727 HydrophobicContact CG-SD 4.32Å
697S29.7Very low31.5Very low72 Ų72136.7 Ų136.750%0.50368%0.683SS.*PPolyproline II helixtrans-63.5138.8173.448.40000110.2Y695 Q699Y695-S697 PolarHBondContact O-N 3.06Å; S697-Q699 PolarHBondContact O-N 3.5Å
698Q35.5Very low31.1Very low168 Ų168140.9 Ų140.979%0.78570%0.703SS**G310 helixtrans-65.11.7-173.9-66.8-176-82.700114.9H700 Y701Q698-H700 PolarHBondContact O-N 2.84Å; Q698-Y701 PolarHBondContact O-N 3.15Å
699Q29.6Very low30.8Very low157 Ų157140.7 Ų140.773%0.73471%0.712SS**G310 helixtrans-60.2-26.3174.9-69.6174.7-40.500113S697 Y701 F702S697-Q699 PolarHBondContact O-N 3.5Å; Q699-Y701 PolarHBondContact O-N 3.4Å; Q699-F702 PolarHBondContact O-N 3.45Å
700H31.1Very low30.7Very low140 Ų140139.9 Ų139.965%0.64871%0.71SS**G310 helixtrans-70.3-3.1176.7-92.8-67.1000115.4Q698Q698-H700 PolarHBondContact O-N 2.84Å
701Y33.4Very low30.3Very low154 Ų154144.1 Ų144.160%0.60473%0.727SS**G310 helixtrans-88.6-0.9175.6-109.9-88.2000114.9Q698 Q699 L969Q698-Y701 PolarHBondContact O-N 3.15Å; Q699-Y701 PolarHBondContact O-N 3.4Å; Y701-L969 WeakPolarHBondContact O-CD1 3.36Å
702F29Very low30.2Very low133 Ų133143.8 Ų143.858%0.58373%0.728SS**THydrogen-bonded Turntrans-133.4-7.8-172.3-82.9-88.1000116.9Q699Q699-F702 PolarHBondContact O-N 3.45Å
703N26.9Very low30.3Very low133 Ų133144 Ų14471%0.71173%0.726SS**  trans-149.8108.9175.1-85.4-83.7000112.4
704E29.3Very low30.1Very low144 Ų144146.1 Ų146.167%0.67373%0.733SS**  trans-169.7144.2132.9-67-141.7118.600104.3
705D30.7Very low30.2Very low149 Ų149147.7 Ų147.780%0.79773%0.732SS**  cis-125.3156.816-82.8-62.1000113.6
706R28.5Very low30.3Very low238 Ų238147.3 Ų147.390%0.89874%0.737SS**  trans-132.1108.4165.6-117.9-176.5178.6-174.12.4111.7
707K29Very low30.3Very low198 Ų198149 Ų14986%0.86174%0.74SS**  trans77.2127176.1-48.2167.8180175.50115.9
708I30.6Very low30.2Very low175 Ų175156.2 Ų156.290%0.89776%0.756SS**  -164154.7117.9-96.1151.2000108.2
709S27.8Very low30Very low110 Ų110156.2 Ų156.277%0.76976%0.76SS**  trans-101.2150.8-174.2-158.50000111.5
710P31.7Very low30Very low112 Ų112155.8 Ų155.873%0.72776%0.762SS**  trans-97.5139.8-160.635.9-35.1000116.4
711Q30.5Very low29.9Very low195 Ų195156.4 Ų156.491%0.91177%0.77SS**  trans178.6150.6155.6-101163.256.900108.2
712S30.8Very low29.7Very low90 Ų90157.5 Ų157.563%0.62978%0.781SS**  cis-171.3156.2-24.159.50000110.9
713K32.6Very low29.8Very low192 Ų192159 Ų15984%0.83579%0.793SS**  trans81.7150.4164.2-58-176.9179.7-178.50119.7
714E30Very low29.8Very low170 Ų170158.3 Ų158.379%0.79480%0.796SS**  trans-66156176-53.8113.5121.900112.6
715S29Very low29.8Very low106 Ų106158.1 Ų158.174%0.74181%0.805SS**  -179.5153.784.5-81.40000114.5
716E33.9Very low29.6Very low167 Ų167154.3 Ų154.378%0.7880%0.8SS**  trans56.8111.8148.1-64.3-168.3132.500124.3
717L27.7Very low29.5Very low127 Ų127149.2 Ų149.267%0.66579%0.789SS**  62.3110.3122.4-63169.4000123.1
718R27.2Very low29.5Very low223 Ų223145.8 Ų145.884%0.84279%0.786SS**  trans57124.2130.9-58.5-179.3-176.4-160.71.6120.6
719I29.9Very low29.5Very low167 Ų167141.9 Ų141.986%0.85677%0.774SS**  -165.5165.2110.8-99.4156.6000109.7
720L29.6Very low29.5Very low149 Ų149144.8 Ų144.878%0.7878%0.779SS**  trans-68.9151.2179.7-90.562.7000112.9
721D29.5Very low29.4Very low152 Ų152147.3 Ų147.381%0.81378%0.782SS**  -164.9173.899.4-110.9-17.4000114.3
722E28.5Very low29.2Very low178 Ų178142.9 Ų142.983%0.83277%0.772SS**  trans-78.9141.2-166.1-51.2-178135.300115.1
723I31.3Very low29.1Very low163 Ų163142.9 Ų142.984%0.83677%0.768SS**  trans-169.6151.1152.4-107.6153.7000109.4
724P27.1Very low28.9Very low119 Ų119139.2 Ų139.277%0.77376%0.762SS**  trans-88.3131.7-141.931-37.1000117.4G726P724-G726 PolarHBondContact O-N 2.82Å; P724-G726 VanDerWaalsContact O-N 3.14Å
725T29.5Very low28.8Very low141 Ų141139.1 Ų139.187%0.86577%0.765SS**  trans-80.785.4174.7-46.50000112.6
726G26.6Very low28.9Very low68 Ų68135.9 Ų135.970%0.70175%0.749SS**  trans-98.786.2170.500000112.8P724P724-G726 PolarHBondContact O-N 2.82Å; P724-G726 VanDerWaalsContact O-N 3.14Å
727M27.1Very low28.7Very low132 Ų132133.5 Ų133.565%0.6574%0.741SS**  trans-144.899.2175-84.8-63.9-69.700111.8P696 C729P696-M727 HydrophobicContact CG-SD 4.32Å; M727-C729 PolarHBondContact O-N 3.42Å
728P28.7Very low29.1Very low125 Ų125132.7 Ų132.781%0.81274%0.737SS**  trans-9095.5170.433.4-29000110.5
729C29.8Very low29.3Very low94 Ų94128.6 Ų128.664%0.63573%0.731SS**  trans-61.1155.7164.1-61.70000110.3M727 E731M727-C729 PolarHBondContact O-N 3.42Å; C729-E731 PolarHBondContact O-N 3Å
730L29.1Very low29.4Very low170 Ų170127.3 Ų127.389%0.8972%0.715SS**  trans-72.874.8159.4-82.4172.1000108.6
731E28.5Very low29.8Very low166 Ų166126 Ų12678%0.77671%0.709SS**  trans-68.4135.9-178.7-160.7162.9-134.100109.9C729 V733C729-E731 PolarHBondContact O-N 3Å; E731-V733 PolarHBondContact O-N 2.73Å
732S27Very low29.7Very low102 Ų102122.3 Ų122.371%0.71369%0.687SS**  trans-7290.3-171.342.40000110.9T734S732-T734 PolarHBondContact O-N 3.23Å
733V29.1Very low29.8Very low90 Ų90119.6 Ų119.655%0.54568%0.678SS.*  trans-50.7103-177.5-1790000110.8R51 E731R51-V733 PolarHBondContact NH2-O 3.24Å; E731-V733 PolarHBondContact O-N 2.73Å
734T27.7Very low30Very low115 Ų115120 Ų12071%0.70667%0.67SS**  trans-73.5154.2168.847.90000110.1S732 G736S732-T734 PolarHBondContact O-N 3.23Å; T734-G736 PolarHBondContact O-N 2.9Å
735I28.4Very low30.1Very low168 Ų168121.6 Ų121.686%0.86267%0.671SS**THydrogen-bonded Turntrans-47108.9180-58.5160.3000111
736G29.8Very low30.2Very low38 Ų38118.6 Ų118.639%0.39265%0.653SS.*THydrogen-bonded Turntrans-178.3-64.1-178.200000113.7Y167 T734Y167-G736 PolarHBondContact OH-O 2.78Å; T734-G736 PolarHBondContact O-N 2.9Å
737D31.5Very low30.2Very low116 Ų116123.7 Ų123.762%0.6266%0.664SS**  trans-110.895.9-158.1-56.8-59.9000114.6I739D737-I739 PolarHBondContact O-N 3.04Å
738D35.7Very low30.5Very low110 Ų110126.5 Ų126.559%0.58868%0.675SS**  trans-81.3106.1166-88.6-40.8000110.8R508R508-D738 IonicContact CZ-OD1 2.7Å; R508-D738 IonicContact NH1-OD1 3.19Å; R508-D738 IonicContact NH2-OD1 2.72Å; R508-D738 PolarHBondContact NH2-OD1 2.83Å; R508-D738 IonicContact NH2-OD2 3.4Å
739I30.7Very low30.7Very low137 Ų137125.1 Ų125.170%0.70367%0.674SS**  trans-103.998.5169.1-56.7176.1000108.6D737D737-I739 PolarHBondContact O-N 3.04Å
740W33.1Very low30.6Very low141 Ų141130.8 Ų130.853%0.53469%0.688SS.*  trans-144151.8170.3-75.5106.8000111.2
741D37.1Very low30.8Very low120 Ų120132 Ų13264%0.64269%0.692SS**  trans-64.3144.5-167.2-86.5-58.2000116Q190 N743Q190-D741 PolarHBondContact NE2-OD1 2.96Å; D741-N743 PolarHBondContact O-N 2.76Å
742E27.5Very low30.8Very low75 Ų75127.2 Ų127.235%0.3569%0.687SS.*SBendtrans-54.795157.1-72.2-84165.700110.4F176F176-E742 WeakPolarHBondContact CD2-OE1 3.43Å; F176-E742 WeakPolarHBondContact CE2-OE1 3.39Å
743N30.7Very low31.1Very low122 Ų122133 Ų13365%0.65270%0.699SS**  trans-178.6151.2142.7-96.4-53.2000113.2D741D741-N743 PolarHBondContact O-N 2.76Å
744W36.1Very low31.2Very low172 Ų172132.6 Ų132.665%0.65271%0.713SS**  trans76.979.8168.7-46.3115.5000118.8
745L29Very low31.3Very low152 Ų152130.7 Ų130.780%0.79672%0.716SS**  trans-70.7131.2151-78.1168.5000110.6
746P31.3Very low31.4Very low77 Ų77130.9 Ų130.950%0.572%0.719SS.*  trans-73.8126.5166.528.9-32.4000111.4L514 Q748L514-P746 HydrophobicContact CD1-CB 3.66Å; L514-P746 HydrophobicContact CD1-CG 3.64Å; L514-P746 HydrophobicContact CD2-CB 4.39Å; P746-Q748 PolarHBondContact O-N 3.5Å; P746-Q748 VanDerWaalsContact O-N 3.12Å
747L27.3Very low31.7Very low176 Ų176134 Ų13492%0.92174%0.741SS**  trans-70.1101.6170.6-70.6165.9000110A749L747-A749 PolarHBondContact O-N 3.29Å
748Q33.4Very low31.8Very low191 Ų191133 Ų13389%0.89375%0.749SS**  trans-66.3130.5168.6-75.7-160.63.400110.7P746P746-Q748 PolarHBondContact O-N 3.5Å; P746-Q748 VanDerWaalsContact O-N 3.12Å
749A32Very low31.8Very low95 Ų95132.5 Ų132.579%0.78575%0.754SS**  trans-70.5147-172.100000113.2L747 M751L747-A749 PolarHBondContact O-N 3.29Å; A749-M751 PolarHBondContact O-N 2.98Å
750K27.9Very low32Very low213 Ų213133.8 Ų133.893%0.92676%0.757SS**  trans-67.3115.9167.5-72175.3176.3172.90110.1
751M33Very low32Very low197 Ų197132.9 Ų132.997%0.9776%0.762SS**  trans-92151.5142.8-68.7-164-175.700109A749A749-M751 PolarHBondContact O-N 2.98Å
752G29Very low31.8Very low65 Ų65135.6 Ų135.667%0.6777%0.768SS**  trans-151.8175.4-174.900000113.5
753K32.6Very low31.9Very low223 Ų223138.4 Ų138.497%0.9779%0.79SS**  trans68.9139.4-161.1-56.5179175.9179.70112.8
754G30.8Very low32.1Very low82 Ų82136.5 Ų136.585%0.84579%0.792SS**  cis175.7168.8-5.900000111
755G31.5Very low31.8Very low75 Ų75133.3 Ų133.377%0.77380%0.796SS**  trans144.3125.8177.200000112.5
756D30.5Very low32.2Very low171 Ų171134 Ų13491%0.91480%0.8SS**  trans-80.7151.1-169.2-52.2-80.1000114.9
757A35.6Very low32.2Very low103 Ų103134.1 Ų134.185%0.85182%0.815SS**  trans-158.3130.7138.500000109.8
758A32.7Very low32.5Very low95 Ų95129.5 Ų129.579%0.78581%0.809SS**  trans-80.8157.1-174.500000113.9
759S35.5Very low32.4Very low100 Ų100129.7 Ų129.770%0.69981%0.807SS**  173.4117126.8-80.20000113.8
760H35.6Very low32.4Very low165 Ų165131.1 Ų131.176%0.76480%0.802SS**  trans47.1143137.7-51.4-62.2000121.7
761L33.4Very low32.4Very low122 Ų122128.4 Ų128.464%0.63979%0.792SS**  cis-167.9168.6-3-114.7170.4000110.3
762F31.7Very low32.2Very low176 Ų176129.2 Ų129.277%0.77279%0.786SS**  trans69.1121.3174.8-55.1-73.7000116.7
763T31.2Very low32.2Very low134 Ų134132 Ų13282%0.82280%0.795SS**  cis83.2128.929.6-45.10000112.6
764A34.9Very low32.2Very low83 Ų83126.9 Ų126.969%0.68679%0.787SS**  cis-134.1158.518.700000112.4
765S29.3Very low32Very low104 Ų104128.2 Ų128.273%0.72778%0.782SS**  62134.975.3-141.30000114.3
766L36.5Very low31.8Very low168 Ų168134.4 Ų134.488%0.8879%0.788SS**  cis-134.8172.210.1-66.581000110
767G32.1Very low31.7Very low79 Ų79135.8 Ų135.881%0.81479%0.789SS**  cis160.4147.9-11.200000114.9
768G32.5Very low31.2Very low78 Ų78139.1 Ų139.180%0.80479%0.789SS**  trans89.1155164.700000118.6
769K32.1Very low31.2Very low195 Ų195139.8 Ų139.885%0.84879%0.785SS**  cis-167.4164.2-21.6-137.7-179.2-176.4-177.70111.7
770N32.4Very low30.9Very low126 Ų126142.8 Ų142.867%0.67479%0.788SS**  trans80.2115.1170.1-52.4-8.6000115.5
771Q27.7Very low30.5Very low155 Ų155142.8 Ų142.872%0.72479%0.786SS**  71131.780.6-71.7177.9-30.900113.2
772Y28.8Very low30.2Very low215 Ų215143.2 Ų143.284%0.84379%0.789SS**  cis-136160.228.1-81.3-107.3000114.6
773S28.9Very low30Very low123 Ų123145.6 Ų145.686%0.8679%0.793SS**  trans-151.3157.6149.560.90000110.3
774S31.5Very low29.6Very low116 Ų116144.5 Ų144.581%0.81179%0.79SS**  trans-114.3175.4-162-1590000115.2
775C27.7Very low29.3Very low109 Ų109150.3 Ų150.374%0.73680%0.8SS**  trans-42.4139.6-179.8-59.40000114.6
776K27.5Very low29.3Very low206 Ų206150.5 Ų150.590%0.89680%0.801SS**  61.9100.163.8-89.9-167.1173-173.40114
777E28.2Very low28.9Very low200 Ų200148.3 Ų148.394%0.93580%0.795SS**  trans-153.5149.4140.5-144.8162.4-143.200110.7
778M24.3Very low29Very low173 Ų173150 Ų15085%0.85279%0.791SS**  trans179.2153.7-168.4177.2-179.999.400108.6
779P33.5Very low28.8Very low109 Ų109154.6 Ų154.671%0.70879%0.789SS**  cis-117.9-167.5-16.737.5-21.9000111.7
780Q29.9Very low28.9Very low163 Ų163152.7 Ų152.776%0.76279%0.788SS**  166.1119.4118.6-178.7164.1-73.100114.7
781K26.6Very low28.8Very low165 Ų165152 Ų15272%0.71779%0.789SS**  trans64.4144.7153.4-76.4177.3-179.4-177.70122.4
782D26.9Very low29Very low130 Ų130157 Ų15770%0.69580%0.801SS**  trans59149.5159.5-39.8-30.6000117.1
783W27.2Very low29Very low227 Ų227153.5 Ų153.586%0.8680%0.797SS**  cis-130.2160.58.5-76.565.7000111.7
784C23.4Very low29.1Very low111 Ų111154 Ų15475%0.7579%0.79SS**  trans-103.3141.3167.5-68.20000111.7
785F29.1Very low28.8Very low205 Ų205152.9 Ų152.990%0.89978%0.783SS**  trans-112.6105.8156.4-82.9-78.8000108.8
786S29.4Very low28.9Very low107 Ų107159.1 Ų159.175%0.74879%0.791SS**PPolyproline II helixtrans-91.4149.2176.1-660000110.5
787T28.3Very low28.9Very low122 Ų122156.8 Ų156.875%0.74878%0.783SS**PPolyproline II helixtrans-64.1133.8167.944.30000110.6K789T787-K789 PolarHBondContact O-N 2.8Å
788P32.3Very low28.9Very low115 Ų115153.6 Ų153.675%0.74778%0.78SS**PPolyproline II helixtrans-57.1130.2164-19.732.3000109
789K30Very low29.1Very low174 Ų174150 Ų15076%0.75777%0.771SS**  trans-136.868.3-177.9-166.7-172.2180-1700108.4T787 T791T787-K789 PolarHBondContact O-N 2.8Å; K789-T791 PolarHBondContact O-N 3.4Å; K789-T791 PolarHBondContact O-OG1 2.83Å
790D33.5Very low28.8Very low156 Ų156148.6 Ų148.683%0.83478%0.777SS**  trans-56.3115.2-174.5-61.5-38.5000110.1
791T30.1Very low28.7Very low111 Ų111148.7 Ų148.768%0.68178%0.782SS**  trans-125.283.6-174.4-550000106.7K789 D793K789-T791 PolarHBondContact O-N 3.4Å; K789-T791 PolarHBondContact O-OG1 2.83Å; T791-D793 PolarHBondContact O-N 3.03Å
792W32.4Very low28.9Very low260 Ų260146 Ų14699%0.98578%0.779SS**  trans-82.7107.6164.3-81.7-34.6000108.9
793D27.8Very low29Very low141 Ų141147.5 Ų147.575%0.75479%0.787SS**  trans-101.7114.1160.4-178.713.5000106.9T791T791-D793 PolarHBondContact O-N 3.03Å
794D31Very low29.1Very low133 Ų133140.2 Ų140.271%0.71178%0.782SS**  trans-15265.7171.2-125.5-25.2000113W796D794-W796 PolarHBondContact O-N 3.42Å
795S26.2Very low29.4Very low94 Ų94140.9 Ų140.966%0.65778%0.783SS**  trans30.868.2137.969.20000121.4
796W29.9Very low29.5Very low239 Ų239140 Ų14091%0.90578%0.779SS**  trans-131.3109.8155.1-7790.2000113.2D794D794-W796 PolarHBondContact O-N 3.42Å
797Q26.2Very low29.6Very low157 Ų157140.3 Ų140.373%0.73478%0.776SS**  trans-92.4142.9165.9-78.3-159.84.800111.7S799Q797-S799 PolarHBondContact OE1-OG 3.31Å
798P29.6Very low29.7Very low134 Ų134141.5 Ų141.587%0.8777%0.773SS**  trans-111.280.8147.734.5-25.3000110.1
799S27.3Very low29.8Very low96 Ų96142.4 Ų142.467%0.67178%0.776SS**  trans-88.8123.6163.843.30000109.1Q797Q797-S799 PolarHBondContact OE1-OG 3.31Å
800G28.7Very low30Very low81 Ų81140.9 Ų140.984%0.83577%0.772SS**  trans157.463.3-175.600000115.4
801L27.3Very low29.9Very low165 Ų165140.8 Ų140.886%0.86476%0.764SS**  trans-95.6148.7163.7-16376.9000109.3
802V30.9Very low30.1Very low109 Ų109140.6 Ų140.666%0.66176%0.764SS**SBendtrans88.5106.9164.7-168.90000118
803N28.2Very low30Very low161 Ų161135.1 Ų135.186%0.86175%0.75SS**  trans72.4122.7149.7-60.4-9.4000121.4
804G30.3Very low30.2Very low73 Ų73134.2 Ų134.275%0.75375%0.749SS**  trans-1604.4-179.500000119.8
805T29.7Very low30.1Very low126 Ų126136 Ų13677%0.77376%0.758SS**  trans61.4113.9157.6-45.70000121.9
806K30.4Very low30.2Very low185 Ų185135.1 Ų135.180%0.80476%0.763SS**  trans63.8158.8161.1-70.1-174169-165.10116.5
807V32.5Very low30.3Very low115 Ų115128.3 Ų128.370%0.69776%0.758SS**  cis-130.4128.8161690000107.9
808E30.4Very low30.5Very low146 Ų146129 Ų12968%0.68276%0.761SS**  55.9128.1103-120.6154-131.400114
809V33.9Very low30.7Very low134 Ų134128 Ų12881%0.81275%0.745SS**  -143.1157.952.1171.50000114
810H32.7Very low31Very low143 Ų143130.6 Ų130.666%0.66274%0.744SS**  trans-45.3151-175.4-62.8-90.6000119.1
811K32.2Very low31.3Very low154 Ų154133.2 Ų133.267%0.6774%0.739SS**  71.5158.956.6-122-148.6-172.4-142.30113.3E813K811-E813 WeakPolarHBondContact CE-OE2 3.33Å; K811-E813 IonicContact NZ-OE1 3.98Å; K811-E813 IonicContact NZ-OE2 2.62Å; K811-E813 PolarHBondContact NZ-OE2 2.93Å
812P35Very low31.5Very low106 Ų106131.6 Ų131.669%0.68874%0.736SS**  cis-112.7169.6-14.96.120.8000113
813E29.5Very low31.6Very low146 Ų146130.1 Ų130.168%0.68274%0.743SS**  cis90.9149.843.8-154.7177-16000114.6K811K811-E813 WeakPolarHBondContact CE-OE2 3.33Å; K811-E813 IonicContact NZ-OE1 3.98Å; K811-E813 IonicContact NZ-OE2 2.62Å; K811-E813 PolarHBondContact NZ-OE2 2.93Å
814V32.6Very low31.7Very low121 Ų121128.1 Ų128.173%0.73374%0.736SS**  trans94.4106.9168.9-171.40000119.9
815L29.1Very low32Very low171 Ų171131.1 Ų131.190%0.89574%0.735SS**  trans32.3132.2140.4-54.2172.8000122.8
816G28.5Very low32.1Very low75 Ų75135.8 Ų135.877%0.77374%0.739SS**  129.5134.6123.400000119.5
817A31.5Very low32.1Very low97 Ų97133.2 Ų133.280%0.80274%0.739SS**  trans48.5102.9148.900000122.1
818Q30.9Very low31.9Very low171 Ų171135.4 Ų135.480%0.79974%0.741SS**  72.2158124.6-132.5-169.2-43.300122.3
819E33.6Very low32.1Very low113 Ų113138.6 Ų138.653%0.52875%0.753SS.*  trans72.887.8158.8-58.3-84.6102.300120.2
820K33.8Very low31.8Very low151 Ų151139 Ų13966%0.65775%0.746SS**  76.1146.8115.7-74.4174.1-172.5146.60123
821N33.9Very low31.9Very low135 Ų135140 Ų14072%0.72276%0.756SS**  trans87.597.1148.4-64.5-11.3000121.3
822T31.9Very low31.6Very low132 Ų132138 Ų13881%0.8175%0.752SS**  62.4114.8115.8-44.60000120.3
823G32.1Very low31.6Very low77 Ų77139.9 Ų139.979%0.79476%0.755SS**  trans-175.2114.7162.600000112.8
824T32.1Very low31.7Very low119 Ų119140.4 Ų140.473%0.7376%0.762SS**  trans-101.4161.6-170.2-40.90000113.1
825N35.5Very low31.6Very low136 Ų136137.9 Ų137.973%0.72776%0.761SS**  trans101.6119.1164.5-52.7-53.8000114.8
826R31.3Very low31.7Very low224 Ų224135.4 Ų135.485%0.84576%0.758SS**  cis85.511242.2-172.9-171.1-165.1-176.46.3112.8
827T31Very low31.9Very low131 Ų131136.1 Ų136.180%0.80475%0.751SS**  -178.3146126.4-72.70000111.6
828Q29.2Very low32.1Very low161 Ų161138.7 Ų138.775%0.75275%0.751SS**  trans-40.5149.4172.9-114.188.1-18.200116.9
829K33Very low32.2Very low213 Ų213135.6 Ų135.693%0.92675%0.748SS**  -148.6150.7117.6-132.3175-176.4-179.20111.9
830Q29.2Very low32.4Very low143 Ų143135.6 Ų135.667%0.66876%0.761SS**  trans-116.7150.7-172.6171.1178.2-10.800109.7D832Q830-D832 PolarHBondContact NE2-OD2 3.29Å
831L34.6Very low32.3Very low165 Ų165134.3 Ų134.386%0.86477%0.766SS**  trans-154.6103.7167.8-111.7166.1000110
832D26Very low32.3Very low111 Ų111135.6 Ų135.659%0.59477%0.772SS**  trans-82.5166.9163-52.2-89.6000110.1Q830Q830-D832 PolarHBondContact NE2-OD2 3.29Å
833I35.3Very low32.4Very low146 Ų146134.7 Ų134.775%0.74977%0.768SS**  trans166.9134.2137.3-87.3155.2000111.7
834N31.3Very low32.2Very low156 Ų156138.2 Ų138.283%0.83476%0.762SS**  trans-2.2152.4153.5-42.1-22.9000119.5
835G29.3Very low32.1Very low68 Ų68140.6 Ų140.670%0.70177%0.769SS**  cis154.3-167.94.600000111.4
836S32.6Very low31.8Very low119 Ų119143 Ų14383%0.83278%0.776SS**  trans74.9148.1176.5-163.30000116.5
837S32.9Very low31.9Very low91 Ų91138.4 Ų138.464%0.63676%0.764SS**  cis-167.7179.5-31.1-89.30000108.9
838D35.4Very low31.8Very low151 Ų151140.9 Ų140.981%0.80776%0.764SS**  trans76.9155.8160.1-53.4-23.9000119.5
839S32.3Very low31.7Very low105 Ų105139.4 Ų139.473%0.73477%0.77SS**  -168.5160.3-8559.10000112.3
840S37.2Very low31.4Very low113 Ų113135.4 Ų135.479%0.7976%0.764SS**  trans123.1153.2156.370.40000116.3
841T32.3Very low31.5Very low125 Ų125133.5 Ų133.577%0.76777%0.766SS**  cis-167.4133.9-33.9-79.20000107
842L33.7Very low31.1Very low162 Ų162133.5 Ų133.585%0.84877%0.766SS**  trans174.7157.3146-94.4168.4000108.5
843P33.6Very low31.2Very low112 Ų112134.9 Ų134.973%0.72778%0.778SS**  -113.7161.8-11039.7-34.8000116.5
844K28Very low31Very low152 Ų152137.4 Ų137.466%0.66179%0.787SS**  trans-39.7139.2172.2-59.2-179.4166.1-1640114.6E847K844-E847 WeakPolarHBondContact CD-OE2 3.48Å; K844-E847 WeakPolarHBondContact CE-OE2 3.36Å; K844-E847 IonicContact NZ-OE1 3.94Å; K844-E847 PolarHBondContact NZ-OE1 2.96Å; K844-E847 IonicContact NZ-OE2 3.87Å; K844-E847 PolarHBondContact NZ-OE2 2.84Å
845L29.9Very low30.9Very low169 Ų169135.7 Ų135.789%0.88579%0.788SS**  trans-139.935.4162.5-135170.7000111.8
846E30Very low31.2Very low186 Ų186139.9 Ų139.987%0.86979%0.789SS**SBendtrans-124.810.9-172.3-142.1167.9-155.500113
847E32.3Very low31.2Very low127 Ų127142.6 Ų142.659%0.59379%0.788SS**SBendtrans-13448.1-174.6-69179.1164.400112.7K844K844-E847 WeakPolarHBondContact CD-OE2 3.48Å; K844-E847 WeakPolarHBondContact CE-OE2 3.36Å; K844-E847 IonicContact NZ-OE1 3.94Å; K844-E847 PolarHBondContact NZ-OE1 2.96Å; K844-E847 IonicContact NZ-OE2 3.87Å; K844-E847 PolarHBondContact NZ-OE2 2.84Å
848F30.5Very low31.2Very low184 Ų184143.4 Ų143.481%0.80779%0.794SS**SBendtrans-134.1-0.3179.1-148-100.7000117.4
849C26.5Very low31.1Very low129 Ų129140.6 Ų140.687%0.87279%0.792SS**SBendtrans-129.623178.7-77.80000114.6
850T27.1Very low31.1Very low130 Ų130143.6 Ų143.680%0.79880%0.8SS**  trans-110.342.6-179.238.70000113
851S30.5Very low30.8Very low103 Ų103141.6 Ų141.672%0.7280%0.797SS**  trans-152.847.5-175.463.20000115.7
852L27.3Very low30.7Very low165 Ų165140.9 Ų140.986%0.86480%0.797SS**SBendtrans-152.637.3167.5-131.1145.5000115.8
853T26.8Very low30.6Very low139 Ų139141.2 Ų141.285%0.85379%0.794SS**  trans-138.149.7176.442.60000113
854Q30.9Very low30.5Very low199 Ų199140.4 Ų140.493%0.9379%0.791SS**  trans-137.889.5167.2-73.4-167.1-0.400112.3
855S30.8Very low30.7Very low121 Ų121141.9 Ų141.985%0.84680%0.8SS**  trans-173.792.2136.9-170.50000107.8
856E33.6Very low31.1Very low156 Ų156138.9 Ų138.973%0.72979%0.791SS**  trans-81.1177.1170.7-54-170.9137.200111.7
857Q33Very low31.2Very low175 Ų175136.7 Ų136.782%0.81879%0.785SS**  trans72.5145.6158.1-62.6161.346.100115.1
858S32.8Very low31.2Very low108 Ų108137.2 Ų137.276%0.75579%0.792SS**  cis-150.2159.48.4570000112.8
859A33.2Very low31.3Very low93 Ų93133.5 Ų133.577%0.76979%0.789SS**  trans56.511916000000117.8
860D32.5Very low31.6Very low168 Ų168135.8 Ų135.890%0.89879%0.787SS**  78.6143.853.9-165.131.6000114.2
861G31.6Very low31.9Very low70 Ų70134.5 Ų134.572%0.72278%0.779SS**  trans126.2117.3-169.300000111.9
862S29.4Very low32.1Very low111 Ų111138.6 Ų138.678%0.77679%0.787SS**  trans-136.2-175.7-179.2660000111.7
863Q33Very low32.5Very low168 Ų168136.2 Ų136.279%0.78578%0.782SS**  trans85.5144.8-168.3-54.6-157.3-21.700114.4
864S30.9Very low32.8Very low96 Ų96138.5 Ų138.567%0.67178%0.78SS**  cis163.3140.1-36.849.30000107.6
865E32.9Very low33Very low182 Ų182135.7 Ų135.785%0.8577%0.767SS**  trans-170.5159.2137.3-107.3-162.9165.800112.5
866P36.9Very low33.1Very low106 Ų106136.2 Ų136.269%0.68876%0.758SS**  trans-109.3178.3-178.341.7-33.7000113.3
867N33.4Very low33.2Very low140 Ų140136.8 Ų136.875%0.74976%0.761SS**  trans-163.8131147-111.9-59.2000117.2
868N32.4Very low33Very low138 Ų138136.6 Ų136.674%0.73877%0.765SS**  trans52.9119.4143.3-79.9-30.2000126.9
869S31.2Very low33Very low106 Ų106136 Ų13674%0.74176%0.76SS**  75.8147.3129.676.30000119.8
870Q34.2Very low33Very low177 Ų177138.1 Ų138.183%0.82776%0.764SS**  cis-171.1160.930.2-149.4-17810.600113
871T32.4Very low33.1Very low103 Ų103134.9 Ų134.963%0.63276%0.761SS**  trans88.684.3147.9-34.40000124.1
872Q35.4Very low33.2Very low190 Ų190136 Ų13689%0.88876%0.763SS**  trans78.9153130.3-66.2-166.36.600125.8
873P35.6Very low33.7Very low115 Ų115136 Ų13675%0.74776%0.76SS**  trans-133.2-178.3-166.644.5-26.6000116.6
874K33.5Very low33.8Very low187 Ų187133.8 Ų133.881%0.81376%0.762SS**  trans179.4159.3157.6-102.9171.2178.6173.60110.2
875Q34.8Very low34.1Very low140 Ų140133.5 Ų133.565%0.65476%0.76SS**  cis-168152.1-25.9-132.1-176.8-45.400109.2
876I33.7Very low34.2Very low131 Ų131130.8 Ų130.867%0.67276%0.756SS**  trans66.7136.4153.9-72.6165.9000117.4
877Q34.1Very low34Very low169 Ų169131.9 Ų131.979%0.7976%0.761SS**  cis-155.1157.5-6.4-122.7170.96.400111
878L29Very low34.1Very low170 Ų170128.9 Ų128.989%0.8976%0.756SS**  trans-157133.4168.8-132.9171.1000110.1
879S33.8Very low34.3Very low95 Ų95128.4 Ų128.466%0.66476%0.757SS**  trans-149.1157.8177.4-53.20000108.4
880T31.9Very low34.6Very low138 Ų138130.4 Ų130.485%0.84776%0.76SS**  cis-155.2165.428.3-51.30000111.4
881A35Very low34.7Very low100 Ų100128.8 Ų128.883%0.82676%0.757SS**  trans103.1130159.900000117.7
882A34.4Very low34.9Very low94 Ų94128.8 Ų128.878%0.77776%0.761SS**  trans-112.7-160.7-172.500000109.5
883P38.9Very low34.9Very low110 Ų110123.9 Ų123.971%0.71475%0.753SS**  cis-140.9166.814.743.4-24.4000118.8
884C34.9Very low34.8Very low123 Ų123127.7 Ų127.783%0.83176%0.761SS**  trans57147.8147.3-66.80000121.7
885S38.1Very low34.7Very low90 Ų90127.6 Ų127.663%0.62976%0.761SS**  cis-174.9145.4-11.746.60000111.5
886T35Very low35Very low125 Ų125125.8 Ų125.877%0.76776%0.761SS**  trans58.4149.9152.353.20000119.7
887T32.9Very low35Very low129 Ų129125.3 Ų125.379%0.79177%0.77SS**  cis-177170.8-13.326.80000106.5
888A34.5Very low35.1Very low76 Ų76120.7 Ų120.763%0.62877%0.767SS**  cis176.8159-34.900000108.3
889V37.2Very low35.4Very low128 Ų128117.9 Ų117.978%0.77676%0.761SS**  trans58158.1167.8-650000118.3
890D37.2Very low35.6Very low148 Ų148119.6 Ų119.679%0.79177%0.768SS**  cis-172171.4-19.6-92.7-8.5000106.5
891D36.8Very low35.7Very low143 Ų143120.8 Ų120.877%0.76576%0.764SS**  cis-170.8-175.1-21.8177.440.2000108
892S36.6Very low35.7Very low103 Ų103121 Ų12172%0.7276%0.759SS**  trans79.5153.4161.178.90000119.4
893A35.3Very low35.8Very low88 Ų88122 Ų12273%0.72776%0.761SS**  cis-170.3-179.9-2400000112.8
894E34.5Very low35.9Very low195 Ų195122.6 Ų122.691%0.91176%0.764SS**  trans98165.9154-55.5-123.5112.800122.7
895K31.1Very low35.9Very low184 Ų184125 Ų12580%0.876%0.763SS**  trans-161.8-160.5-149.5-133.1179.4178.2-179.10109.2
896P40.4Very low35.6Very low102 Ų102126.8 Ų126.866%0.66277%0.765SS**  cis-137.2-163.1-20.342.5-22.7000115.7
897S34.7Very low35.6Very low122 Ų122127.8 Ų127.885%0.85376%0.764SS**  trans74.3147.6155.468.80000120.3
898G34.9Very low35.6Very low71 Ų71129.6 Ų129.673%0.73276%0.761SS**  cis177.5-173.9-0.800000109.8
899S35.1Very low35.6Very low111 Ų111131.2 Ų131.278%0.77676%0.76SS**  cis176.1165.1-15.946.20000110.9
900V38.7Very low35.6Very low132 Ų132133 Ų13380%0.876%0.759SS**  trans74.8145.9158.5159.80000118.9
901E34.7Very low35.5Very low162 Ų162132.3 Ų132.376%0.75776%0.756SS**  cis-175.9166.1-20.1-172.4163.4-154.600112.7
902S35Very low35.4Very low105 Ų105134.6 Ų134.673%0.73476%0.759SS**  trans74.6154.1159.276.10000120.9
903S36.6Very low35.2Very low115 Ų115134.3 Ų134.380%0.80476%0.757SS**  cis-166.5154.4-25.9-91.10000111.5
904P40.8Very low35Very low122 Ų122134.2 Ų134.279%0.79275%0.751SS**  trans-122163.3-178.141.6-31000116.4
905E33.5Very low34.9Very low173 Ų173130.7 Ų130.781%0.80875%0.748SS**  trans-145121.7162.2-78-148.412400114.2
906I32.7Very low34.9Very low129 Ų129132.9 Ų132.966%0.66275%0.751SS**  77.1133.395.4-32.9-174.4000117.5
907L34.5Very low34.4Very low145 Ų145132 Ų13276%0.75975%0.752SS**  trans110.1136.9150.2-58.7175.5000117.5
908K34.2Very low34.3Very low167 Ų167133.5 Ų133.573%0.72675%0.75SS**  cis-171.7165.1-31.5-128.2-174.6-165.2-179.10111.5
909N34.1Very low33.9Very low111 Ų111135.8 Ų135.859%0.59475%0.749SS**  trans67.5151.8159.3-6835.2000117.8
910E35.9Very low33.8Very low164 Ų164138 Ų13877%0.76675%0.752SS**  cis174148.5-16.4-104.3159.2-167.900105
911D36Very low33.4Very low135 Ų135141 Ų14172%0.72275%0.75SS**  cis-130-103.4-28.2-174.341000108.8S913D911-S913 PolarHBondContact OD2-N 2.71Å
912F34.1Very low33.2Very low190 Ų190142.6 Ų142.683%0.83376%0.755SS**  cis-143.1124.5-9.9-131-29.7000111.4
913S33.3Very low33Very low97 Ų97144.5 Ų144.568%0.67876%0.756SS**  trans44.6105.7161-156.10000119D911D911-S913 PolarHBondContact OD2-N 2.71Å
914S29.7Very low32.7Very low86 Ų86147.4 Ų147.460%0.60176%0.755SS**  cis75.69345.4-172.70000117.3
915S33.9Very low32.2Very low121 Ų121152.6 Ų152.685%0.84676%0.758SS**  trans-167111.5138.7-77.10000107.7
916R30.5Very low32.1Very low230 Ų230151.8 Ų151.887%0.86876%0.755SS**  cis62.3124.723.9-132.6-166.9170.8-179.3-2.8111
917A29.4Very low31.9Very low83 Ų83152.9 Ų152.969%0.68676%0.757SS**  cis-140.6-168.24.600000108.6
918I32.9Very low31.5Very low155 Ų155151.6 Ų151.680%0.79576%0.76SS**  cis-140.8134.526.7-65170.6000110.4
919T27.2Very low31.5Very low118 Ų118148.9 Ų148.972%0.72476%0.757SS**  trans-107136.1168.248.50000111.3
920L31.6Very low31.4Very low159 Ų159149.9 Ų149.983%0.83276%0.762SS**  trans-122.894.9155.3-79.2167000107.5
921Y31Very low31.2Very low193 Ų193150 Ų15076%0.75776%0.763SS**  6296.5104.2-87.8-92.2000112.6
922K30Very low31Very low197 Ų197148.7 Ų148.786%0.85776%0.756SS**  48.8112.179.4-76.9-170.51721800113.9
923D31.3Very low30.9Very low144 Ų144142.7 Ų142.777%0.7774%0.737SS**  -147.1169.4119.8-160.216.3000111.4
924K30.9Very low30.8Very low177 Ų177144.1 Ų144.177%0.7774%0.737SS**  trans-87.7146.6-163.5-54.1149.1-178.8173.70113.4
925R30Very low30.9Very low231 Ų231146.3 Ų146.387%0.87274%0.74SS**  -172.6160.7126.1-114.7168.7-93.3-149.1-5.3114
926Q30.6Very low30.9Very low156 Ų156146.6 Ų146.673%0.72973%0.731SS**  trans89.1115.8163.4-139.359.150.100118.2
927E28.1Very low30.9Very low151 Ų151139.1 Ų139.171%0.70671%0.714SS**  trans-75.9176.3168.8-55.8102.9135.200113.5
928S27.9Very low30.9Very low118 Ų118145.3 Ų145.383%0.82572%0.721SS**  trans60.769.9165.964.80000117.6
929V34.1Very low30.7Very low111 Ų111146.5 Ų146.567%0.67372%0.724SS**  trans-136.4-31.9162-168.30000112.9Q931V929-Q931 VanDerWaalsContact C-N 3.31Å; V929-Q931 PolarHBondContact O-N 3.22Å
930D30.7Very low30.7Very low131 Ų131144.2 Ų144.270%0.70171%0.712SS**THydrogen-bonded Turntrans-8123.2-162.8-55.5-60.9000117.7
931Q31.8Very low30.4Very low166 Ų166145.1 Ų145.178%0.77671%0.711SS**THydrogen-bonded Turntrans-103.4-19172.2-86.5-170.8-1900114.6V929 I935V929-Q931 VanDerWaalsContact C-N 3.31Å; V929-Q931 PolarHBondContact O-N 3.22Å; Q931-I935 WeakPolarHBondContact O-CD1 3.44Å; Q931-I935 WeakPolarHBondContact O-CG1 3.32Å
932L32.4Very low30.1Very low109 Ų109142.8 Ų142.857%0.57171%0.711SS**Hα-helixtrans-87.2-19.2178.3-65.6174.1000113
933S32.4Very low29.9Very low63 Ų63137.2 Ų137.244%0.44170%0.697SS.*Hα-helixtrans-79.2-25-178.146.50000114.5S937S933-S937 PolarHBondContact O-OG 3.17Å
934L30.9Very low29.9Very low128 Ų128134.5 Ų134.567%0.6768%0.679SS**Hα-helixtrans-89.1-31.4179.3-88.272.7000113.5L936 S937L934-L936 VanDerWaalsContact C-N 3.25Å; L934-L936 PolarHBondContact O-N 2.88Å; L934-S937 PolarHBondContact O-N 2.86Å; L934-S937 VanDerWaalsContact O-N 3.16Å
935I32.6Very low29.9Very low131 Ų131130.4 Ų130.467%0.67266%0.661SS**Hα-helixtrans-66.3-28.1-173.6-64.4173.7000112Q931 S937Q931-I935 WeakPolarHBondContact O-CD1 3.44Å; Q931-I935 WeakPolarHBondContact O-CG1 3.32Å; I935-S937 VanDerWaalsContact C-N 3.34Å; I935-S937 PolarHBondContact O-N 3.37Å
936L32.6Very low30.2Very low127 Ų127120.8 Ų120.867%0.66563%0.627SS**THydrogen-bonded Turntrans-83.1-2.7178.8-67.8172.4000114.3L934L934-L936 VanDerWaalsContact C-N 3.25Å; L934-L936 PolarHBondContact O-N 2.88Å
937S31.6Very low30.2Very low73 Ų73115.7 Ų115.751%0.5160%0.602SS.*SBendtrans-117.8-2.5-163-62.90000117S933 L934 I935S933-S937 PolarHBondContact O-OG 3.17Å; L934-S937 PolarHBondContact O-N 2.86Å; L934-S937 VanDerWaalsContact O-N 3.16Å; I935-S937 VanDerWaalsContact C-N 3.34Å; I935-S937 PolarHBondContact O-N 3.37Å
938Y27.7Very low30.6Very low213 Ų213110.1 Ų110.184%0.83558%0.576SS**SBendtrans-132.8-24.8-178.7-125.6-105.3000116.7
939E29.5Very low30.6Very low181 Ų181105 Ų10585%0.84654%0.54SS*.SBendtrans-109-1.9-179.4-66.7-166.6132.500114.7
940C27.8Very low30.6Very low69 Ų69104.2 Ų104.247%0.46653%0.525SS..  trans-96.418.8176.4-130.40000114.1I942 Q944C940-I942 VanDerWaalsContact C-N 3.27Å; C940-I942 PolarHBondContact O-N 2.71Å; C940-Q944 PolarHBondContact SG-NE2 3.48Å
941Q25.6Very low30.6Very low178 Ų178101.9 Ų101.983%0.83252%0.52SS*.  trans-84.514.3177.8-107.9-174.11900114.7S943Q941-S943 PolarHBondContact O-N 3.11Å; Q941-S943 VanDerWaalsContact O-N 3.17Å
942I24.7Very low30.5Very low144 Ų14497 Ų9774%0.73850%0.501SS*.SBendtrans-62.2115.6158.1-58.5172.9000106.6C940 Q944C940-I942 VanDerWaalsContact C-N 3.27Å; C940-I942 PolarHBondContact O-N 2.71Å; I942-Q944 WeakPolarHBondContact O-CG 3.18Å; I942-Q944 PolarHBondContact O-N 2.88Å
943S25.8Very low30.3Very low81 Ų8195 Ų9557%0.56650%0.501SS*.  trans-42.9105.2-177.9-60.60000111.5Q941 K945Q941-S943 PolarHBondContact O-N 3.11Å; Q941-S943 VanDerWaalsContact O-N 3.17Å; S943-K945 PolarHBondContact O-N 3.3Å
944Q30.1Very low30Very low86 Ų8698 Ų9840%0.40252%0.516SS..  trans-76.773.4-176.1-68.5-161.412.200110.1C940 I942 L946C940-Q944 PolarHBondContact SG-NE2 3.48Å; I942-Q944 WeakPolarHBondContact O-CG 3.18Å; I942-Q944 PolarHBondContact O-N 2.88Å; Q944-L946 PolarHBondContact O-N 2.78Å; Q944-L946 VanDerWaalsContact O-N 3.08Å
945K31.2Very low29.9Very low91 Ų9193 Ų9340%0.39649%0.493SS..  trans-63.5103-175.6-165-177.7-154.5172.60109.6E3 S943 Y947E3-K945 VanDerWaalsContact N-CE 3.28Å; S943-K945 PolarHBondContact O-N 3.3Å; K945-Y947 PolarHBondContact O-N 2.9Å
946L36.3Very low30Very low30 Ų3087.3 Ų87.316%0.15747%0.465CS..  trans-57.7108.9-179.2-101.8154.9000110I536 Y543 Y560 F563 Q944I536-L946 HydrophobicContact CD1-CB 4.49Å; I536-L946 HydrophobicContact CD1-CD1 3.3Å; I536-L946 HydrophobicContact CD1-CG 4.46Å; Y543-L946 HydrophobicContact CD1-CD1 4.2Å; Y543-L946 HydrophobicContact CE1-CB 4.18Å; Y543-L946 HydrophobicContact CE1-CD1 4.03Å; Y543-L946 HydrophobicContact CE1-CD2 4.09Å; Y543-L946 HydrophobicContact CE1-CG 4.33Å; Y560-L946 HydrophobicContact CD1-CD1 3.91Å; Y560-L946 HydrophobicContact CE1-CD1 3.67Å; F563-L946 HydrophobicContact CB-CD2 3.91Å; F563-L946 HydrophobicContact CD1-CD2 3.68Å; F563-L946 HydrophobicContact CD2-CD2 3.92Å; F563-L946 HydrophobicContact CE1-CD2 4.2Å; F563-L946 HydrophobicContact CE2-CD2 4.43Å; F563-L946 HydrophobicContact CG-CD2 3.53Å; Q944-L946 PolarHBondContact O-N 2.78Å; Q944-L946 VanDerWaalsContact O-N 3.08Å
947Y31.2Very low30.1Very low48 Ų4887 Ų8719%0.18846%0.464CS..PPolyproline II helixtrans-91.5118.6-168.3178.3-104.5000110.3L617 K945 P949 R950L617-Y947 HydrophobicContact CB-CD1 4.45Å; L617-Y947 HydrophobicContact CB-CE1 3.64Å; L617-Y947 HydrophobicContact CD1-CD1 4.21Å; L617-Y947 HydrophobicContact CD1-CD2 4.14Å; L617-Y947 HydrophobicContact CD1-CE1 3.89Å; L617-Y947 HydrophobicContact CD1-CE2 3.85Å; L617-Y947 HydrophobicContact CD1-CG 4.3Å; L617-Y947 HydrophobicContact CD2-CD1 3.75Å; L617-Y947 HydrophobicContact CD2-CE1 3.83Å; L617-Y947 HydrophobicContact CD2-CG 4.31Å; L617-Y947 HydrophobicContact CG-CD1 4.35Å; L617-Y947 HydrophobicContact CG-CE1 3.98Å; K945-Y947 PolarHBondContact O-N 2.9Å; Y947-P949 HydrophobicContact CE1-CB 4.48Å; Y947-P949 WeakPolarHBondContact O-CD 3.3Å; Y947-R950 WeakPolarHBondContact OH-CG 3.46Å; Y947-R950 PolarHBondContact OH-N 2.69Å
948I35.2Very low30.3Very low34 Ų3484.7 Ų84.717%0.17445%0.452CS..PPolyproline II helixtrans-80.6121.7168-66.5176.3000107.4W541 R950W541-I948 HydrophobicContact CD2-CD1 3.85Å; W541-I948 HydrophobicContact CG-CD1 4.08Å; W541-I948 HydrophobicContact CH2-CD1 4.26Å; W541-I948 HydrophobicContact CZ2-CD1 3.46Å; W541-I948 VanDerWaalsContact CZ2-CD1 3.46Å; I948-R950 PolarHBondContact O-N 2.83Å
949P29.4Very low31Very low11 Ų1174.6 Ų74.67%0.07141%0.412CS..PPolyproline II helixtrans-57.6127-175.6-2937.1000113.4F476 Y947 S951F476-P949 HydrophobicContact CD1-CB 4.31Å; F476-P949 HydrophobicContact CD1-CG 4.48Å; F476-P949 HydrophobicContact CD2-CB 4.23Å; F476-P949 HydrophobicContact CD2-CG 4.07Å; F476-P949 HydrophobicContact CE1-CB 3.88Å; F476-P949 HydrophobicContact CE2-CB 3.79Å; F476-P949 HydrophobicContact CE2-CG 4.11Å; F476-P949 HydrophobicContact CG-CB 4.48Å; F476-P949 HydrophobicContact CG-CG 4.27Å; F476-P949 HydrophobicContact CZ-CB 3.61Å; F476-P949 HydrophobicContact CZ-CG 4.34Å; Y947-P949 HydrophobicContact CE1-CB 4.48Å; Y947-P949 WeakPolarHBondContact O-CD 3.3Å; P949-S951 PolarHBondContact O-N 3.14Å; P949-S951 VanDerWaalsContact O-N 3.16Å
950R32.3Very low31.6Very low94 Ų9467.9 Ų67.936%0.35539%0.388SS..  trans-62.8115.3163.2-77.1-178.4163.886.8-1.5109.5E3 Y947 I948 T952E3-R950 IonicContact OE1-CZ 2.84Å; E3-R950 VanDerWaalsContact OE1-CZ 3.23Å; E3-R950 IonicContact OE1-NH1 3.88Å; E3-R950 PolarHBondContact OE1-NH1 3.42Å; E3-R950 IonicContact OE1-NH2 2.68Å; E3-R950 PolarHBondContact OE1-NH2 3.08Å; E3-R950 IonicContact OE2-CZ 2.64Å; E3-R950 IonicContact OE2-NH1 2.67Å; E3-R950 PolarHBondContact OE2-NH1 3.1Å; Y947-R950 WeakPolarHBondContact OH-CG 3.46Å; Y947-R950 PolarHBondContact OH-N 2.69Å; I948-R950 PolarHBondContact O-N 2.83Å; R950-T952 HydrophobicContact CB-CG2 4.11Å; R950-T952 PolarHBondContact O-N 2.85Å
951S31.4Very low32.2Very low83 Ų8367 Ų6758%0.5839%0.386SS*.  trans-68.666.5161.745.40000111P949 A953P949-S951 PolarHBondContact O-N 3.14Å; P949-S951 VanDerWaalsContact O-N 3.16Å; S951-A953 PolarHBondContact O-N 3.26Å
952T29.3Very low33Very low64 Ų6461.6 Ų61.639%0.39336%0.358SS..  trans-67.693.4172.640.50000109.2R950 T954 A955 A956R950-T952 HydrophobicContact CB-CG2 4.11Å; R950-T952 PolarHBondContact O-N 2.85Å; T952-T954 PolarHBondContact O-N 3.34Å; T952-A955 PolarHBondContact O-N 3.12Å; T952-A956 PolarHBondContact O-N 3.18Å
953A28Very low34.1Very low67 Ų6755.9 Ų55.955%0.55433%0.329SS*.Hα-helixtrans-49-34.8-171.300000113.9S951 L957S951-A953 PolarHBondContact O-N 3.26Å; A953-L957 VanDerWaalsContact O-CB 3.29Å; A953-L957 WeakPolarHBondContact O-CB 3.49Å; A953-L957 PolarHBondContact O-N 3.36Å
954T26.7Very low34.7Very low126 Ų12654.8 Ų54.877%0.77333%0.325SS*.Hα-helixtrans-66.3-45.1178.6-35.20000113.5T952 L957 G958T952-T954 PolarHBondContact O-N 3.34Å; T954-L957 PolarHBondContact O-N 2.88Å; T954-G958 PolarHBondContact O-N 3.36Å
955A29.2Very low35.1Very low21 Ų2151.9 Ų51.917%0.17431%0.313CS..Hα-helixtrans-75.1-38177.700000111T952 L957 G958 A959T952-A955 PolarHBondContact O-N 3.12Å; A955-L957 VanDerWaalsContact C-N 3.28Å; A955-L957 PolarHBondContact O-N 3.16Å; A955-G958 PolarHBondContact O-N 2.93Å; A955-A959 PolarHBondContact O-N 3.28Å
956A34.2Very low35.3Very low12 Ų1250.9 Ų50.910%0.09932%0.317CS..Hα-helixtrans-57.1-41.1170.200000111.6Y491 T952 G958 A960Y491-A956 WeakPolarHBondContact OH-CB 3.48Å; T952-A956 PolarHBondContact O-N 3.18Å; A956-G958 PolarHBondContact O-N 2.96Å; A956-A960 WeakPolarHBondContact O-CA 3.43Å; A956-A960 WeakPolarHBondContact O-CB 3.47Å; A956-A960 PolarHBondContact O-N 2.97Å
957L35.3Very low35.3Very low120 Ų12057.4 Ų57.463%0.62834%0.34SS*.Hα-helixtrans-61.9-39.7175.9-100.3156000113.2A953 T954 A955 A961A953-L957 VanDerWaalsContact O-CB 3.29Å; A953-L957 WeakPolarHBondContact O-CB 3.49Å; A953-L957 PolarHBondContact O-N 3.36Å; T954-L957 PolarHBondContact O-N 2.88Å; A955-L957 VanDerWaalsContact C-N 3.28Å; A955-L957 PolarHBondContact O-N 3.16Å; L957-A961 WeakPolarHBondContact O-CB 3.32Å; L957-A961 PolarHBondContact O-N 3.02Å
958G36.4Very low35.4Very low25 Ų2559 Ų5926%0.25836%0.358SS..Hα-helixtrans-64.3-48.2178.100000113.1T954 A955 A956 R962T954-G958 PolarHBondContact O-N 3.36Å; A955-G958 PolarHBondContact O-N 2.93Å; A956-G958 PolarHBondContact O-N 2.96Å; G958-R962 WeakPolarHBondContact O-CD 3.31Å
959A41Very low35.1Very low1 Ų162 Ų621%0.00837%0.373CS..Hα-helixtrans-70.4-46.417600000112.1V621 T639 A955 A961 R962 L963V621-A959 HydrophobicContact CG2-CB 4.39Å; T639-A959 WeakPolarHBondContact OG1-CA 3.26Å; A955-A959 PolarHBondContact O-N 3.28Å; A959-A961 PolarHBondContact O-N 3.26Å; A959-R962 PolarHBondContact O-N 2.92Å; A959-R962 VanDerWaalsContact O-N 3.13Å; A959-L963 WeakPolarHBondContact O-CG 3.38Å; A959-L963 PolarHBondContact O-N 3.42Å
960A42.2Very low35.1Very low41 Ų4167.3 Ų67.334%0.33940%0.401SS..Hα-helixtrans-67.2-34.3-178.700000112.7A956 R962 L963 A964A956-A960 WeakPolarHBondContact O-CA 3.43Å; A956-A960 WeakPolarHBondContact O-CB 3.47Å; A956-A960 PolarHBondContact O-N 2.97Å; A960-R962 PolarHBondContact O-N 3.46Å; A960-L963 PolarHBondContact O-N 3.2Å; A960-A964 WeakPolarHBondContact O-CB 3.43Å; A960-A964 PolarHBondContact O-N 2.71Å
961A40.3Very low34.8Very low51 Ų5170.3 Ų70.342%0.42142%0.419SS..Hα-helixtrans-63.9-27.6173.900000112.6P291 L957 A959P291-A961 VanDerWaalsContact CD-O 3.23Å; P291-A961 WeakPolarHBondContact CD-O 3.45Å; P291-A961 WeakPolarHBondContact CG-O 3.46Å; L957-A961 WeakPolarHBondContact O-CB 3.32Å; L957-A961 PolarHBondContact O-N 3.02Å; A959-A961 PolarHBondContact O-N 3.26Å
962R43.6Very low34.7Very low63 Ų6376.6 Ų76.624%0.23843%0.43CS..Hα-helixtrans-87.9-23.6175.9-67.3166.9175.5-119.622.8113.4D644 G958 A959 A960D644-R962 IonicContact OD1-CZ 2.91Å; D644-R962 IonicContact OD1-NH1 3.6Å; D644-R962 PolarHBondContact OD1-NH1 2.59Å; D644-R962 IonicContact OD1-NH2 3.44Å; D644-R962 PolarHBondContact OD1-NH2 2.88Å; D644-R962 IonicContact OD2-CZ 2.66Å; D644-R962 IonicContact OD2-NH1 3.84Å; D644-R962 PolarHBondContact OD2-NH1 3.23Å; G958-R962 WeakPolarHBondContact O-CD 3.31Å; A959-R962 PolarHBondContact O-N 2.92Å; A959-R962 VanDerWaalsContact O-N 3.13Å; A960-R962 PolarHBondContact O-N 3.46Å
963L46.2Very low34.7Very low24 Ų2482.2 Ų82.213%0.12645%0.445CS..Hα-helixtrans-91.8-33.2177.6-69.5167.6000113.6L472 V621 A959 A960 T965 S966L472-L963 HydrophobicContact CB-CD2 4.18Å; V621-L963 HydrophobicContact CG1-CD2 4.4Å; V621-L963 HydrophobicContact CG2-CD1 4.35Å; V621-L963 HydrophobicContact CG2-CD2 4.49Å; V621-L963 HydrophobicContact CG2-CG 4.34Å; A959-L963 WeakPolarHBondContact O-CG 3.38Å; A959-L963 PolarHBondContact O-N 3.42Å; A960-L963 PolarHBondContact O-N 3.2Å; L963-T965 PolarHBondContact O-N 2.91Å; L963-S966 WeakPolarHBondContact O-CB 3.19Å; L963-S966 PolarHBondContact O-N 3.25Å; L963-S966 PolarHBondContact O-OG 2.84Å
964A39.5Very low34.9Very low59 Ų5983.8 Ų83.849%0.48845%0.449SS..THydrogen-bonded Turntrans-67.33.1-172.700000115.3A960A960-A964 WeakPolarHBondContact O-CB 3.43Å; A960-A964 PolarHBondContact O-N 2.71Å
965T37.8Very low35Very low25 Ų2582.9 Ų82.915%0.15345%0.449CS..THydrogen-bonded Turntrans-1118.5175.8470000113.5I289 G290 P291 L963 R967I289-T965 CarbonylContact O-C 3.57Å; I289-T965 VanDerWaalsContact O-C 3.25Å; I289-T965 WeakPolarHBondContact O-CB 3.07Å; I289-T965 PolarHBondContact O-OG1 3.35Å; G290-T965 VanDerWaalsContact CA-OG1 3.23Å; G290-T965 WeakPolarHBondContact CA-OG1 3.42Å; P291-T965 HydrophobicContact CB-CG2 3.87Å; P291-T965 WeakPolarHBondContact CD-OG1 3.43Å; P291-T965 VanDerWaalsContact N-OG1 3.16Å; L963-T965 PolarHBondContact O-N 2.91Å; T965-R967 PolarHBondContact O-N 3.1Å
966S34.9Very low35.2Very low69 Ų6987.9 Ų87.948%0.48348%0.476SS..  trans-67.154.4154.170.10000111.6L963 S968L963-S966 WeakPolarHBondContact O-CB 3.19Å; L963-S966 PolarHBondContact O-N 3.25Å; L963-S966 PolarHBondContact O-OG 2.84Å; S966-S968 PolarHBondContact O-N 2.85Å
967R37.3Very low35.1Very low168 Ų16897 Ų9763%0.63451%0.514SS*.  trans-7964.4-175-74.4-173.9-179.7-173.62112.6T965T965-R967 PolarHBondContact O-N 3.1Å
968S32.8Very low35Very low81 Ų81100.9 Ų100.957%0.56652%0.52SS*.SBendtrans-105120.1137.4-169.70000106.1S966S966-S968 PolarHBondContact O-N 2.85Å
969L28.5Very low34.6Very low96 Ų96108.1 Ų108.150%0.50355%0.549SS..SBendtrans60.6110.6-176.6-59.9157.5000115.9Y701Y701-L969 WeakPolarHBondContact O-CD1 3.36Å
970L29.4Very low34.1Very low123 Ų123115 Ų11564%0.64458%0.581SS**  trans164.3120.8133.3-89.6175.1000110.3
971H27Very low33.6Very low158 Ų158121.3 Ų121.373%0.73163%0.634SS**  trans-93.1107.3-170.2-155.3-42.8000111.6Y973H971-Y973 AromaticContact CE1-CD2 3.43Å; H971-Y973 VanDerWaalsContact CE1-CD2 3.43Å; H971-Y973 WeakPolarHBondContact CE1-CD2 3.46Å; H971-Y973 AromaticContact CE1-CE2 3.35Å; H971-Y973 WeakPolarHBondContact CE1-CE2 3.22Å; H971-Y973 AromaticContact ND1-CD2 3.49Å; H971-Y973 WeakPolarHBondContact ND1-CD2 3.16Å; H971-Y973 AromaticContact ND1-CE2 3.92Å; H971-Y973 AromaticContact NE2-CE2 3.98Å; H971-Y973 PolarHBondContact O-N 2.7Å
972W29.3Very low33.3Very low214 Ų214124.8 Ų124.881%0.81164%0.644SS**  trans-73.9124.8171-86.777.3000110.9
973Y28.3Very low32.8Very low182 Ų182128.1 Ų128.171%0.71467%0.666SS**  trans-138.589.7172.9-116.1-63.1000110.8H971 S975H971-Y973 AromaticContact CE1-CD2 3.43Å; H971-Y973 VanDerWaalsContact CE1-CD2 3.43Å; H971-Y973 WeakPolarHBondContact CE1-CD2 3.46Å; H971-Y973 AromaticContact CE1-CE2 3.35Å; H971-Y973 WeakPolarHBondContact CE1-CE2 3.22Å; H971-Y973 AromaticContact ND1-CD2 3.49Å; H971-Y973 WeakPolarHBondContact ND1-CD2 3.16Å; H971-Y973 AromaticContact ND1-CE2 3.92Å; H971-Y973 AromaticContact NE2-CE2 3.98Å; H971-Y973 PolarHBondContact O-N 2.7Å; Y973-S975 PolarHBondContact O-N 3.42Å; Y973-S975 VanDerWaalsContact O-N 3.14Å
974P33.2Very low32Very low100 Ų100133.8 Ų133.865%0.64970%0.696SS**  trans-79.492.7171.831.2-31.6000109.7V976P974-V976 PolarHBondContact O-N 3.23Å
975S29.6Very low31.6Very low108 Ų108138.2 Ų138.276%0.75571%0.708SS**  trans-71.956.7179.5-71.80000113.9Y973 K977Y973-S975 PolarHBondContact O-N 3.42Å; Y973-S975 VanDerWaalsContact O-N 3.14Å; S975-K977 PolarHBondContact O-N 3.12Å
976V32.5Very low31.2Very low125 Ų125145.3 Ų145.376%0.75874%0.742SS**  trans-7491168.7-1770000108.4P974 R978P974-V976 PolarHBondContact O-N 3.23Å; V976-R978 PolarHBondContact O-N 2.93Å
977K32.6Very low30.9Very low205 Ų205150.4 Ų150.489%0.89176%0.76SS**  trans-61.8102.4166.6-84.4-171.7174.5-179.60108.9S975 M979S975-K977 PolarHBondContact O-N 3.12Å; K977-M979 PolarHBondContact O-N 3.29Å
978R33.3Very low30.5Very low201 Ų201149.1 Ų149.176%0.75877%0.769SS**  trans-66.8130169.5-158.7-166.4-54.8-174.61108.8V976 E980V976-R978 PolarHBondContact O-N 2.93Å; R978-E980 WeakPolarHBondContact CD-OE2 3.44Å; R978-E980 HydrophobicContact CG-CG 4.22Å; R978-E980 IonicContact CZ-OE2 3.23Å; R978-E980 IonicContact NE-OE2 3.05Å; R978-E980 IonicContact NH1-OE2 2.69Å; R978-E980 PolarHBondContact NH1-OE2 2.91Å
979M26.7Very low30.3Very low176 Ų176154.4 Ų154.487%0.86778%0.784SS**  trans-112.191.8176.2-168.6170.7-174.500108.4K977K977-M979 PolarHBondContact O-N 3.29Å
980E32Very low30.4Very low145 Ų145159.3 Ų159.368%0.67881%0.808SS**  trans-131.3130.6170.2-67.5-176.7121.900106.5R978R978-E980 WeakPolarHBondContact CD-OE2 3.44Å; R978-E980 HydrophobicContact CG-CG 4.22Å; R978-E980 IonicContact CZ-OE2 3.23Å; R978-E980 IonicContact NE-OE2 3.05Å; R978-E980 IonicContact NH1-OE2 2.69Å; R978-E980 PolarHBondContact NH1-OE2 2.91Å
981A31.5Very low30.5Very low174 Ų174162.5 Ų162.5100%1.43882%0.823SS**  trans72.40-156.500000114.4

Retrieved 981 of 981 residues in 1728.7 ms (Link to these results)

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