G4V7Z2_SCHMA Loading...

Putative sfrs11 protein

AlphaFold DB , UniProt , Accession G4V7Z2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 581 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
1M33Very low63.2Low236 Ų236101.6 Ų101.6100%1.16351%0.506SS*.  0128.90-58.6174.7-172.300107.8
2S35.1Very low65.4Low121 Ų12193.2 Ų93.285%0.84646%0.464SS*.  trans-82.5115.6168.1-160.70000108
3V36.4Very low67Low114 Ų11486 Ų8669%0.69143%0.428SS*.  trans-80.7120.4-180-168.30000107.4R5V3-R5 PolarHBondContact O-N 3.15Å
4N45.3Very low68.3Low153 Ų15380.1 Ų80.182%0.81840%0.399SS*.  trans-63.186174.3-86.28.5000110.3K6N4-K6 VanDerWaalsContact C-N 3.32Å; N4-K6 PolarHBondContact O-N 3.36Å
5R55.2Low69.7Low206 Ų20674.7 Ų74.778%0.77737%0.372SS*.  trans-7092.1169-71.3-172.1176.8-163.41.3107.8V3 N7V3-R5 PolarHBondContact O-N 3.15Å; R5-N7 PolarHBondContact O-N 2.92Å
6K64.3Low70.7Confident101 Ų10170.1 Ų70.144%0.43935%0.349SS..  trans-49.6124168.9-68.6-178.4162.1-146.60109.1N4 R8 P60 E64N4-K6 VanDerWaalsContact C-N 3.32Å; N4-K6 PolarHBondContact O-N 3.36Å; K6-R8 PolarHBondContact O-N 3.15Å; K6-P60 HydrophobicContact CB-CB 3.46Å; K6-P60 VanDerWaalsContact CB-CB 3.46Å; K6-P60 HydrophobicContact CB-CG 4.05Å; K6-P60 HydrophobicContact CD-CB 4.32Å; K6-P60 HydrophobicContact CD-CG 4.39Å; K6-P60 WeakPolarHBondContact O-CB 3.38Å; K6-E64 WeakPolarHBondContact CD-OE1 3.49Å; K6-E64 WeakPolarHBondContact CE-OE1 3.47Å; K6-E64 IonicContact NZ-OE1 3.83Å; K6-E64 PolarHBondContact NZ-OE1 3.15Å; K6-E64 IonicContact NZ-OE2 2.7Å; K6-E64 PolarHBondContact NZ-OE2 2.58Å
7N73.7Confident71.6Confident68 Ų6867.3 Ų67.336%0.36434%0.337SS..  trans-62.5129.6-172.2-51.332.6000110R5 A63 L84R5-N7 PolarHBondContact O-N 2.92Å; N7-A63 WeakPolarHBondContact O-CB 3.45Å; N7-L84 PolarHBondContact ND2-O 3.2Å
8R86.9Confident72.5Confident102 Ų10268.6 Ų68.639%0.38535%0.354SS..  trans-88.7-9.8177.6-57.5-171.8-156.5-142.54.3113.7K6 R56 Y57 Q58 P60 D89K6-R8 PolarHBondContact O-N 3.15Å; R8-R56 HydrophobicContact CB-CG 4.12Å; R8-R56 WeakPolarHBondContact O-CA 3.24Å; R8-Y57 WeakPolarHBondContact CB-O 3.22Å; R8-Y57 PolarHBondContact O-N 3.47Å; R8-Q58 PolarHBondContact NH1-O 2.82Å; R8-P60 HydrophobicContact CG-CB 4.29Å; R8-D89 WeakPolarHBondContact CB-OD1 3.3Å; R8-D89 PolarHBondContact N-OD1 3.43Å
9V88.5Confident73.3Confident3 Ų365 Ų652%0.01834%0.335CS..EExtended strand (participates in β ladder)trans-102.9125.8-172.7-172.60000111.5I55 R56 L84 D89 I91V9-I55 CarbonylContact C-O 3.56Å; V9-I55 WeakPolarHBondContact CA-O 3.4Å; V9-R56 HydrophobicContact CG2-CB 4.11Å; V9-R56 HydrophobicContact CG2-CG 4.01Å; V9-L84 HydrophobicContact CB-CB 4.16Å; V9-L84 HydrophobicContact CB-CD2 4.06Å; V9-L84 HydrophobicContact CG1-CB 4.07Å; V9-L84 HydrophobicContact CG1-CD2 3.61Å; V9-L84 WeakPolarHBondContact O-CB 3.11Å; V9-L84 PolarHBondContact O-N 3.13Å; V9-L84 VanDerWaalsContact O-N 3.07Å; V9-D89 HydrophobicContact CG2-CB 4.23Å; V9-D89 WeakPolarHBondContact CG2-O 3.45Å; V9-I91 HydrophobicContact CG1-CG1 4.32Å
10V88.9Confident74.1Confident1 Ų164.5 Ų64.51%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-110.9133.8177.7-179.40000109.2V12 Y54 I55 Y57 A63 A66 L67 V81V10-V12 HydrophobicContact CG1-CG2 4.31Å; V10-Y54 WeakPolarHBondContact O-CA 3.47Å; V10-I55 PolarHBondContact N-O 3.39Å; V10-I55 PolarHBondContact O-N 2.83Å; V10-Y57 HydrophobicContact CG2-CD2 4.17Å; V10-Y57 HydrophobicContact CG2-CE2 4.07Å; V10-A63 HydrophobicContact CG2-CB 3.68Å; V10-A66 HydrophobicContact CG2-CB 4.23Å; V10-L67 HydrophobicContact CG1-CD2 4.32Å; V10-V81 HydrophobicContact CG1-CG1 3.32Å
11Q88.3Confident74.8Confident13 Ų1364.4 Ų64.46%0.06134%0.34CS..EExtended strand (participates in β ladder)trans-98.6130172.3175.5178.1-53.700109.5T13 Y54 L82Q11-T13 HydrophobicContact CG-CG2 3.87Å; Q11-Y54 HydrophobicContact CB-CD1 4Å; Q11-Y54 HydrophobicContact CB-CE1 3.8Å; Q11-Y54 HydrophobicContact CG-CD1 4.19Å; Q11-Y54 HydrophobicContact CG-CE1 3.59Å; Q11-L82 PolarHBondContact N-O 2.68Å; Q11-L82 PolarHBondContact O-N 2.81Å
12V89.2Confident77.6Confident0 Ų059.9 Ų59.90%032%0.316CS..EExtended strand (participates in β ladder)trans-120.9114.4178.6-173.80000108.6V10 V15 F28 V52 C53 I55 L79 I80 V81V10-V12 HydrophobicContact CG1-CG2 4.31Å; V12-V15 HydrophobicContact CG1-CG2 3.79Å; V12-F28 HydrophobicContact CB-CZ 4.43Å; V12-F28 HydrophobicContact CG1-CE2 4.2Å; V12-F28 HydrophobicContact CG1-CZ 4Å; V12-F28 HydrophobicContact CG2-CE1 4.09Å; V12-F28 HydrophobicContact CG2-CE2 3.97Å; V12-F28 HydrophobicContact CG2-CZ 3.54Å; V12-V52 CarbonylContact O-C 3.58Å; V12-V52 WeakPolarHBondContact O-CA 3.3Å; V12-C53 HydrophobicContact CB-CB 4.15Å; V12-C53 PolarHBondContact N-O 3Å; V12-C53 PolarHBondContact O-N 2.72Å; V12-I55 HydrophobicContact CG2-CD1 4.03Å; V12-L79 HydrophobicContact CG1-CB 4.3Å; V12-L79 HydrophobicContact CG1-CD1 4.46Å; V12-L79 HydrophobicContact CG1-CD2 4.06Å; V12-I80 CarbonylContact C-O 3.59Å; V12-I80 VanDerWaalsContact CA-O 3.31Å; V12-I80 WeakPolarHBondContact CA-O 3.44Å; V12-V81 HydrophobicContact CG1-CG2 4.29Å; V12-V81 HydrophobicContact CG2-CG1 4.36Å; V12-V81 HydrophobicContact CG2-CG2 4.41Å
13T86Confident80.3Confident0 Ų057.6 Ų57.60%029%0.292CS..EExtended strand (participates in β ladder)trans-116.4174.1176.680.40000111.4Q11 V15 V52 I80 V100Q11-T13 HydrophobicContact CG-CG2 3.87Å; T13-V15 PolarHBondContact O-N 2.85Å; T13-V52 HydrophobicContact CG2-CG1 4.24Å; T13-V52 HydrophobicContact CG2-CG2 4.19Å; T13-I80 PolarHBondContact N-O 2.7Å; T13-I80 PolarHBondContact O-N 3.07Å; T13-V100 HydrophobicContact CG2-CG2 4.23Å
14N85.2Confident83Confident3 Ų352.1 Ų52.12%0.01626%0.259CS..EExtended strand (participates in β ladder)trans58.228-171.2-160.538.5000114.5R77 A78 I80 A102 T106N14-R77 VanDerWaalsContact O-CB 3.27Å; N14-R77 WeakPolarHBondContact O-CB 3.34Å; N14-R77 WeakPolarHBondContact O-CD 3.37Å; N14-A78 PolarHBondContact ND2-O 3.1Å; N14-I80 HydrophobicContact CB-CD1 3.97Å; N14-I80 HydrophobicContact CB-CG1 4.07Å; N14-A102 HydrophobicContact CB-CB 3.74Å; N14-T106 HydrophobicContact CB-CG2 4.41Å; N14-T106 PolarHBondContact ND2-O 3.23Å; N14-T106 PolarHBondContact OD1-O 2.92Å
15V89.2Confident85.3Confident0 Ų050.4 Ų50.40%024%0.241CC..EExtended strand (participates in β ladder)trans-65.9140.9172.2-1780000108.9V12 T13 A19 L24 S50 K51 C53 L79V12-V15 HydrophobicContact CG1-CG2 3.79Å; T13-V15 PolarHBondContact O-N 2.85Å; V15-A19 HydrophobicContact CG1-CB 3.58Å; V15-L24 HydrophobicContact CG1-CD1 4.11Å; V15-L24 HydrophobicContact CG1-CD2 3.98Å; V15-L24 HydrophobicContact CG2-CD2 4.36Å; V15-S50 WeakPolarHBondContact O-CA 3.21Å; V15-K51 HydrophobicContact CB-CB 3.8Å; V15-K51 VanDerWaalsContact CB-O 3.29Å; V15-K51 WeakPolarHBondContact CB-O 3.48Å; V15-K51 HydrophobicContact CG1-CB 3.97Å; V15-K51 PolarHBondContact N-O 3.41Å; V15-K51 VanDerWaalsContact N-O 3.14Å; V15-K51 PolarHBondContact O-N 3.32Å; V15-C53 HydrophobicContact CG2-CB 4.46Å; V15-L79 HydrophobicContact CB-CD2 4.42Å; V15-L79 HydrophobicContact CG2-CD2 3.94Å
16S86.9Confident87.1Confident1 Ų144.4 Ų44.41%0.00723%0.227CC..  trans-56.4140.6174.7-179.90000112.1S18 A19 D76S16-S18 PolarHBondContact O-N 2.88Å; S16-S18 PolarHBondContact OG-N 3.07Å; S16-S18 VanDerWaalsContact OG-N 3.16Å; S16-A19 WeakPolarHBondContact O-CB 3.38Å; S16-A19 PolarHBondContact O-N 3.43Å; S16-A19 VanDerWaalsContact O-N 3.12Å; S16-D76 WeakPolarHBondContact CB-OD1 3.47Å; S16-D76 PolarHBondContact OG-OD1 2.69Å
17P85.6Confident88.5Confident22 Ų2241.1 Ų41.114%0.14322%0.215CC..THydrogen-bonded Turntrans-55.1-35.8167.820.2-30.7000111.9A19 E47 A49 K51P17-A19 VanDerWaalsContact C-N 3.26Å; P17-A19 PolarHBondContact O-N 3.26Å; P17-E47 WeakPolarHBondContact CB-O 3.48Å; P17-A49 WeakPolarHBondContact CB-O 3.36Å; P17-K51 WeakPolarHBondContact O-CE 3.43Å; P17-K51 PolarHBondContact O-NZ 3.39Å
18S86.9Confident89.5Confident91 Ų9137.9 Ų37.964%0.63620%0.197SC*.THydrogen-bonded Turntrans-79.6-1-178.7-52.40000114.2S16S16-S18 PolarHBondContact O-N 2.88Å; S16-S18 PolarHBondContact OG-N 3.07Å; S16-S18 VanDerWaalsContact OG-N 3.16Å
19A89Confident89.8Confident0 Ų034.9 Ų34.90%020%0.198CC..  trans-77.4133.7175.200000111.3V15 S16 P17 K51 F74 L75V15-A19 HydrophobicContact CG1-CB 3.58Å; S16-A19 WeakPolarHBondContact O-CB 3.38Å; S16-A19 PolarHBondContact O-N 3.43Å; S16-A19 VanDerWaalsContact O-N 3.12Å; P17-A19 VanDerWaalsContact C-N 3.26Å; P17-A19 PolarHBondContact O-N 3.26Å; A19-K51 PolarHBondContact O-NZ 3.2Å; A19-F74 HydrophobicContact CB-CE1 4.32Å; A19-L75 HydrophobicContact CB-CD1 3.99Å
20T89.5Confident90Very high55 Ų5542.3 Ų42.334%0.33723%0.232SC..  trans-88.5157.617275.20000111.3E22 Q23 L24T20-E22 VanDerWaalsContact C-N 3.27Å; T20-E22 PolarHBondContact O-N 3.49Å; T20-Q23 PolarHBondContact O-N 3.32Å; T20-Q23 WeakPolarHBondContact OG1-CB 3.43Å; T20-Q23 VanDerWaalsContact OG1-CG 3.26Å; T20-Q23 WeakPolarHBondContact OG1-CG 3.42Å; T20-Q23 PolarHBondContact OG1-N 3.37Å; T20-Q23 VanDerWaalsContact OG1-N 3.1Å; T20-L24 PolarHBondContact O-N 3.09Å
21S88.4Confident90.1Very high62 Ų6243.6 Ų43.643%0.43424%0.24SC..Hα-helixtrans-64.2-32.6174.657.30000112.4L24 R25S21-L24 PolarHBondContact O-N 3.05Å; S21-R25 VanDerWaalsContact O-CG 3.3Å; S21-R25 WeakPolarHBondContact O-CG 3.43Å; S21-R25 PolarHBondContact O-N 3.44Å
22E90.3Very high90.3Very high141 Ų14144 Ų4466%0.65925%0.247SC*.Hα-helixtrans-63.9-47173-175.4178.2-154.100111.7T20 L24 R25 T26T20-E22 VanDerWaalsContact C-N 3.27Å; T20-E22 PolarHBondContact O-N 3.49Å; E22-L24 VanDerWaalsContact C-N 3.28Å; E22-L24 PolarHBondContact O-N 3.41Å; E22-R25 WeakPolarHBondContact O-CB 3.32Å; E22-R25 PolarHBondContact O-N 2.74Å; E22-R25 VanDerWaalsContact O-N 3.15Å; E22-T26 PolarHBondContact O-N 3.37Å; E22-T26 PolarHBondContact O-OG1 3.49Å
23Q92.7Very high90.5Very high73 Ų7348 Ų4834%0.34127%0.271SS..Hα-helixtrans-57.4-40.7176-76.6168.5-4.300112.2T20 T26 L27 F74T20-Q23 PolarHBondContact O-N 3.32Å; T20-Q23 WeakPolarHBondContact OG1-CB 3.43Å; T20-Q23 VanDerWaalsContact OG1-CG 3.26Å; T20-Q23 WeakPolarHBondContact OG1-CG 3.42Å; T20-Q23 PolarHBondContact OG1-N 3.37Å; T20-Q23 VanDerWaalsContact OG1-N 3.1Å; Q23-T26 PolarHBondContact O-N 3.47Å; Q23-L27 PolarHBondContact O-N 2.9Å; Q23-F74 HydrophobicContact CB-CE1 4.12Å; Q23-F74 HydrophobicContact CB-CZ 3.88Å; Q23-F74 WeakPolarHBondContact O-CZ 3.11Å
24L92.6Very high90.8Very high0 Ų049.9 Ų49.90%028%0.281CS..Hα-helixtrans-67.1-45.4175.2-66.9166.3000112V15 T20 S21 E22 T26 L27 F28 V39 C53 F74V15-L24 HydrophobicContact CG1-CD1 4.11Å; V15-L24 HydrophobicContact CG1-CD2 3.98Å; V15-L24 HydrophobicContact CG2-CD2 4.36Å; T20-L24 PolarHBondContact O-N 3.09Å; S21-L24 PolarHBondContact O-N 3.05Å; E22-L24 VanDerWaalsContact C-N 3.28Å; E22-L24 PolarHBondContact O-N 3.41Å; L24-T26 VanDerWaalsContact C-N 3.27Å; L24-T26 PolarHBondContact O-N 3.27Å; L24-L27 PolarHBondContact O-N 3.01Å; L24-F28 HydrophobicContact CD2-CE2 4.38Å; L24-F28 WeakPolarHBondContact O-CD2 3.34Å; L24-F28 PolarHBondContact O-N 3.19Å; L24-V39 HydrophobicContact CD1-CG1 4.28Å; L24-V39 HydrophobicContact CD1-CG2 3.81Å; L24-C53 HydrophobicContact CD1-CB 4.03Å; L24-F74 HydrophobicContact CD2-CD1 4.26Å; L24-F74 HydrophobicContact CD2-CE1 3.94Å; L24-F74 HydrophobicContact CG-CE1 4.45Å
25R93.6Very high91.1Very high117 Ų11755 Ų5544%0.44231%0.305SS..Hα-helixtrans-57.6-41.2173.8-73171.6-169.4-80.8-5.3111.3S21 E22 G29 L34 V37S21-R25 VanDerWaalsContact O-CG 3.3Å; S21-R25 WeakPolarHBondContact O-CG 3.43Å; S21-R25 PolarHBondContact O-N 3.44Å; E22-R25 WeakPolarHBondContact O-CB 3.32Å; E22-R25 PolarHBondContact O-N 2.74Å; E22-R25 VanDerWaalsContact O-N 3.15Å; R25-G29 WeakPolarHBondContact O-CA 3.23Å; R25-G29 PolarHBondContact O-N 2.71Å; R25-L34 HydrophobicContact CB-CD1 4.4Å; R25-V37 HydrophobicContact CG-CB 4.14Å; R25-V37 HydrophobicContact CG-CG1 4.17Å; R25-V37 HydrophobicContact CG-CG2 4.09Å; R25-V37 PolarHBondContact NH2-O 3.21Å
26T93.6Very high91.2Very high79 Ų7958.6 Ų58.649%0.48532%0.322SS..Hα-helixtrans-62.8-51.5175.1-55.60000111.3E22 Q23 L24 G29 H30E22-T26 PolarHBondContact O-N 3.37Å; E22-T26 PolarHBondContact O-OG1 3.49Å; Q23-T26 PolarHBondContact O-N 3.47Å; L24-T26 VanDerWaalsContact C-N 3.27Å; L24-T26 PolarHBondContact O-N 3.27Å; T26-G29 PolarHBondContact O-N 2.74Å; T26-H30 PolarHBondContact O-CE1 3.19Å; T26-H30 PolarHBondContact O-ND1 3.33Å
27L93.1Very high91.5Very high33 Ų3358.9 Ų58.917%0.17332%0.324CS..Hα-helixtrans-57.4-55.8-179.3177.968.6000111.7Q23 L24 G29 H30 L69 F74 L79Q23-L27 PolarHBondContact O-N 2.9Å; L24-L27 PolarHBondContact O-N 3.01Å; L27-G29 VanDerWaalsContact C-N 3.33Å; L27-G29 PolarHBondContact O-N 3.4Å; L27-H30 PolarHBondContact O-N 3Å; L27-L69 HydrophobicContact CG-CD1 4.3Å; L27-F74 HydrophobicContact CB-CE2 3.91Å; L27-F74 HydrophobicContact CB-CZ 4.13Å; L27-F74 HydrophobicContact CD1-CD2 4.39Å; L27-F74 HydrophobicContact CD1-CE2 4.23Å; L27-F74 HydrophobicContact CD2-CD2 3.72Å; L27-F74 HydrophobicContact CD2-CE2 3.84Å; L27-F74 HydrophobicContact CD2-CG 4.15Å; L27-F74 HydrophobicContact CD2-CZ 4.35Å; L27-F74 HydrophobicContact CG-CD2 4.47Å; L27-F74 HydrophobicContact CG-CE2 4.21Å; L27-L79 HydrophobicContact CD2-CD1 3.48Å; L27-L79 VanDerWaalsContact CD2-CD1 3.48Å
28F94.4Very high91.7Very high0 Ų059.3 Ų59.30%033%0.325CS..Hα-helixtrans-76.9-20.2-173.5-75.1-80.9000113.2V12 L24 H30 V31 L34 I55 Y57 A66 L69 L79 V81V12-F28 HydrophobicContact CB-CZ 4.43Å; V12-F28 HydrophobicContact CG1-CE2 4.2Å; V12-F28 HydrophobicContact CG1-CZ 4Å; V12-F28 HydrophobicContact CG2-CE1 4.09Å; V12-F28 HydrophobicContact CG2-CE2 3.97Å; V12-F28 HydrophobicContact CG2-CZ 3.54Å; L24-F28 HydrophobicContact CD2-CE2 4.38Å; L24-F28 WeakPolarHBondContact O-CD2 3.34Å; L24-F28 PolarHBondContact O-N 3.19Å; F28-H30 VanDerWaalsContact C-N 3.26Å; F28-H30 PolarHBondContact O-N 3.03Å; F28-V31 VanDerWaalsContact O-CB 3.3Å; F28-V31 WeakPolarHBondContact O-CB 3.48Å; F28-V31 PolarHBondContact O-N 3.46Å; F28-V31 VanDerWaalsContact O-N 3.09Å; F28-L34 HydrophobicContact CB-CD1 4.38Å; F28-L34 HydrophobicContact CB-CD2 4.35Å; F28-I55 HydrophobicContact CB-CD1 3.63Å; F28-I55 HydrophobicContact CD1-CD1 3.73Å; F28-I55 HydrophobicContact CD2-CD1 3.3Å; F28-I55 HydrophobicContact CE1-CD1 4.19Å; F28-I55 HydrophobicContact CE2-CD1 3.82Å; F28-I55 HydrophobicContact CG-CD1 3.25Å; F28-I55 HydrophobicContact CZ-CD1 4.24Å; F28-Y57 WeakPolarHBondContact CB-OH 3.26Å; F28-Y57 WeakPolarHBondContact CD1-OH 3.37Å; F28-Y57 PolarHBondContact O-OH 3.21Å; F28-Y57 VanDerWaalsContact O-OH 3.05Å; F28-A66 HydrophobicContact CD1-CB 4.34Å; F28-L69 HydrophobicContact CD1-CD1 3.68Å; F28-L69 HydrophobicContact CE1-CB 4.24Å; F28-L69 HydrophobicContact CE1-CD1 3.64Å; F28-L69 HydrophobicContact CG-CD1 4.42Å; F28-L69 HydrophobicContact CZ-CD1 4.35Å; F28-L79 HydrophobicContact CE2-CD1 4.11Å; F28-L79 HydrophobicContact CZ-CD1 4.06Å; F28-V81 HydrophobicContact CE1-CG1 4.38Å; F28-V81 HydrophobicContact CE1-CG2 4.33Å; F28-V81 HydrophobicContact CZ-CG2 4.07Å
29G93.4Very high91.9Very high38 Ų3855.9 Ų55.939%0.39230%0.301SS..Hα-helixtrans-69-19.2172.700000114.2R25 T26 L27 V31R25-G29 WeakPolarHBondContact O-CA 3.23Å; R25-G29 PolarHBondContact O-N 2.71Å; T26-G29 PolarHBondContact O-N 2.74Å; L27-G29 VanDerWaalsContact C-N 3.33Å; L27-G29 PolarHBondContact O-N 3.4Å; G29-V31 PolarHBondContact O-N 3.13Å
30H92.3Very high91.8Very high160 Ų16057.7 Ų57.774%0.74131%0.308SS*.THydrogen-bonded Turntrans-69.7-15.9168.9-70.782.5000112.8T26 L27 F28T26-H30 PolarHBondContact O-CE1 3.19Å; T26-H30 PolarHBondContact O-ND1 3.33Å; L27-H30 PolarHBondContact O-N 3Å; F28-H30 VanDerWaalsContact C-N 3.26Å; F28-H30 PolarHBondContact O-N 3.03Å
31V92Very high91.5Very high28 Ų2855.8 Ų55.817%0.1730%0.296CS..THydrogen-bonded Turntrans-86.8-31.2178.2-176.20000111.8F28 G29 Y57 N62 V65 A66 L69F28-V31 VanDerWaalsContact O-CB 3.3Å; F28-V31 WeakPolarHBondContact O-CB 3.48Å; F28-V31 PolarHBondContact O-N 3.46Å; F28-V31 VanDerWaalsContact O-N 3.09Å; G29-V31 PolarHBondContact O-N 3.13Å; V31-Y57 HydrophobicContact CB-CE1 4.11Å; V31-Y57 HydrophobicContact CG1-CE1 4.27Å; V31-N62 HydrophobicContact CG1-CB 4.41Å; V31-N62 VanDerWaalsContact CG1-O 3.22Å; V31-N62 WeakPolarHBondContact CG1-O 3.28Å; V31-N62 PolarHBondContact O-OD1 3.4Å; V31-V65 HydrophobicContact CG1-CB 3.74Å; V31-V65 HydrophobicContact CG1-CG1 3.69Å; V31-A66 HydrophobicContact CG1-CB 4.15Å; V31-L69 HydrophobicContact CG2-CD1 3.63Å; V31-L69 HydrophobicContact CG2-CG 4.36Å
32G91.7Very high90.8Very high20 Ų2057.1 Ų57.121%0.20631%0.306CS..SBendtrans162.4-179.1-179.200000112.8L34G32-L34 PolarHBondContact O-N 3.07Å
33V93.4Very high89.7Confident85 Ų8554.6 Ų54.652%0.51530%0.297SS..  trans-66.6121.1-176.4-174.60000110.9Q58V33-Q58 HydrophobicContact CB-CB 4.1Å; V33-Q58 HydrophobicContact CG1-CB 4.3Å; V33-Q58 PolarHBondContact O-N 3.45Å
34L93.3Very high88.3Confident40 Ų4056.5 Ų56.521%0.20931%0.309CS..EExtended strand (participates in β ladder)trans-87.2122.2176.2-49.2-173.3000109.1R25 F28 G32 V37 I55 Y57R25-L34 HydrophobicContact CB-CD1 4.4Å; F28-L34 HydrophobicContact CB-CD1 4.38Å; F28-L34 HydrophobicContact CB-CD2 4.35Å; G32-L34 PolarHBondContact O-N 3.07Å; L34-V37 HydrophobicContact CB-CG2 4.13Å; L34-V37 HydrophobicContact CD1-CG2 3.72Å; L34-V37 HydrophobicContact CG-CG2 4.47Å; L34-I55 HydrophobicContact CD2-CG2 3.79Å; L34-Y57 HydrophobicContact CD2-CD1 3.72Å; L34-Y57 HydrophobicContact CD2-CE1 3.24Å; L34-Y57 HydrophobicContact CD2-CE2 4.49Å
35E92Very high86.8Confident110 Ų11064 Ų6451%0.51434%0.342SS..EExtended strand (participates in β ladder)trans-85-45.2175.4-163.4-157.9137.100110.4R56E35-R56 HydrophobicContact CB-CG 4.45Å; E35-R56 WeakPolarHBondContact CB-O 3.42Å; E35-R56 PolarHBondContact N-O 3.26Å; E35-R56 IonicContact OE1-CZ 2.79Å; E35-R56 VanDerWaalsContact OE1-CZ 3.25Å; E35-R56 IonicContact OE1-NE 3.6Å; E35-R56 PolarHBondContact OE1-NE 3.39Å; E35-R56 IonicContact OE1-NH2 3.69Å; E35-R56 PolarHBondContact OE1-NH2 2.87Å; E35-R56 IonicContact OE2-CZ 3.16Å; E35-R56 IonicContact OE2-NE 2.85Å; E35-R56 PolarHBondContact OE2-NE 3.35Å
36E91.2Very high85.2Confident75 Ų7563.7 Ų63.735%0.3535%0.345SS..EExtended strand (participates in β ladder)trans-145.1141.7179.2-164.2176167.300110.9V38 I55 R56 I91E36-V38 HydrophobicContact CG-CG2 4.24Å; E36-I55 WeakPolarHBondContact O-CA 3.49Å; E36-R56 HydrophobicContact CB-CB 4.22Å; E36-R56 PolarHBondContact N-O 2.97Å; E36-R56 PolarHBondContact O-N 2.99Å; E36-R56 IonicContact OE2-CZ 2.72Å; E36-R56 IonicContact OE2-NH1 3.17Å; E36-R56 PolarHBondContact OE2-NH1 3.39Å; E36-R56 IonicContact OE2-NH2 2.75Å; E36-R56 PolarHBondContact OE2-NH2 2.87Å; E36-I91 HydrophobicContact CB-CD1 4.09Å; E36-I91 HydrophobicContact CG-CD1 3.82Å
37V91.6Very high83.6Confident8 Ų867.2 Ų67.25%0.04836%0.356CS..EExtended strand (participates in β ladder)trans-138.5124.6173.6-179.90000108.9R25 L34 Y54 I55R25-V37 HydrophobicContact CG-CB 4.14Å; R25-V37 HydrophobicContact CG-CG1 4.17Å; R25-V37 HydrophobicContact CG-CG2 4.09Å; R25-V37 PolarHBondContact NH2-O 3.21Å; L34-V37 HydrophobicContact CB-CG2 4.13Å; L34-V37 HydrophobicContact CD1-CG2 3.72Å; L34-V37 HydrophobicContact CG-CG2 4.47Å; V37-Y54 WeakPolarHBondContact CA-O 3.49Å; V37-I55 HydrophobicContact CG1-CG1 4.29Å; V37-I55 HydrophobicContact CG2-CG1 4.35Å; V37-I55 HydrophobicContact CG2-CG2 4.25Å
38V90.8Very high82.1Confident30 Ų3073 Ų7318%0.18239%0.387CS..EExtended strand (participates in β ladder)trans-125.7140.2-179.6-178.20000108.7E36 Y40 C53 Y54 I91E36-V38 HydrophobicContact CG-CG2 4.24Å; V38-Y40 HydrophobicContact CG1-CD2 4.19Å; V38-Y40 HydrophobicContact CG1-CE1 4.04Å; V38-Y40 HydrophobicContact CG1-CE2 3.55Å; V38-Y40 VanDerWaalsContact CG1-CZ 3.47Å; V38-C53 CarbonylContact O-C 3.58Å; V38-C53 VanDerWaalsContact O-CA 3.26Å; V38-C53 WeakPolarHBondContact O-CA 3.35Å; V38-C53 PolarHBondContact O-SG 3.45Å; V38-Y54 PolarHBondContact N-O 3.27Å; V38-Y54 PolarHBondContact O-N 2.96Å; V38-I91 HydrophobicContact CB-CD1 4.32Å; V38-I91 HydrophobicContact CB-CG2 4.13Å; V38-I91 HydrophobicContact CG2-CD1 3.71Å; V38-I91 HydrophobicContact CG2-CG2 4.14Å
39V90.6Very high80.9Confident20 Ų2074 Ų7412%0.12139%0.394CS..EExtended strand (participates in β ladder)trans-130.8132.4-178.2-173.50000109.3L24 S42 K51 V52 C53L24-V39 HydrophobicContact CD1-CG1 4.28Å; L24-V39 HydrophobicContact CD1-CG2 3.81Å; V39-S42 PolarHBondContact O-OG 3.07Å; V39-K51 HydrophobicContact CG1-CB 4.21Å; V39-K51 HydrophobicContact CG1-CD 4.25Å; V39-K51 HydrophobicContact CG1-CG 4.39Å; V39-V52 CarbonylContact C-O 3.58Å; V39-V52 WeakPolarHBondContact CA-O 3.34Å; V39-C53 HydrophobicContact CG2-CB 4.19Å
40Y87.3Confident80.3Confident38 Ų3872.2 Ų72.215%0.14938%0.376CS..EExtended strand (participates in β ladder)trans-125.2139.8-179.8-63.4-66.3000111.3V38 K51 V52 Y54 P92 E94 A97V38-Y40 HydrophobicContact CG1-CD2 4.19Å; V38-Y40 HydrophobicContact CG1-CE1 4.04Å; V38-Y40 HydrophobicContact CG1-CE2 3.55Å; V38-Y40 VanDerWaalsContact CG1-CZ 3.47Å; Y40-K51 CarbonylContact O-C 3.45Å; Y40-K51 WeakPolarHBondContact O-CA 3.44Å; Y40-V52 PolarHBondContact N-O 2.91Å; Y40-V52 PolarHBondContact O-N 3Å; Y40-Y54 HydrophobicContact CD2-CD2 4.02Å; Y40-Y54 AromaticContact CD2-CE2 3.9Å; Y40-Y54 HydrophobicContact CD2-CE2 3.9Å; Y40-Y54 AromaticContact CE2-CD2 3.94Å; Y40-Y54 HydrophobicContact CE2-CD2 3.94Å; Y40-Y54 HydrophobicContact CE2-CE2 4Å; Y40-P92 WeakPolarHBondContact CE2-O 3.38Å; Y40-E94 HydrophobicContact CD1-CB 3.62Å; Y40-E94 HydrophobicContact CD1-CG 3.79Å; Y40-E94 HydrophobicContact CE1-CB 3.59Å; Y40-E94 HydrophobicContact CE1-CG 4.26Å; Y40-E94 HydrophobicContact CG-CB 4.26Å; Y40-E94 HydrophobicContact CG-CG 4.32Å; Y40-A97 HydrophobicContact CD2-CB 3.36Å; Y40-A97 HydrophobicContact CE2-CB 4.13Å; Y40-A97 HydrophobicContact CG-CB 3.75Å
41P82.9Confident80.1Confident14 Ų1465.2 Ų65.29%0.09134%0.343CS..SBendcis-62.4146.3-12.328.4-35.2000111.1D43 E46P41-D43 PolarHBondContact O-N 2.75Å; P41-E46 HydrophobicContact CG-CB 4.31Å
42S74Confident79.9Confident90 Ų9063.9 Ų63.963%0.62934%0.336SS*.  trans-72.5-17.8177.7-50.90000112.9V39V39-S42 PolarHBondContact O-OG 3.07Å
43D67.3Low79.9Confident89 Ų8963 Ų6348%0.47633%0.326SS..SBendtrans-101112.8-172.2-138.120.6000109.1P41 K45P41-D43 PolarHBondContact O-N 2.75Å; D43-K45 PolarHBondContact O-N 3.12Å; D43-K45 IonicContact OD1-NZ 2.93Å; D43-K45 PolarHBondContact OD1-NZ 2.91Å; D43-K45 WeakPolarHBondContact OD2-CD 3.48Å; D43-K45 IonicContact OD2-NZ 3.57Å; D43-K45 PolarHBondContact OD2-NZ 3.15Å
44D63.4Low79.8Confident112 Ų11258.9 Ų58.960%0.59930%0.301SS*.THydrogen-bonded Turntrans-64.45.8-179.3-72.8-51.9000114.3K51D44-K51 IonicContact OD1-NZ 2.69Å; D44-K51 PolarHBondContact OD1-NZ 2.95Å
45K60.4Low79.8Confident159 Ų15957 Ų5769%0.69129%0.291SS*.THydrogen-bonded Turntrans-77.7-22.4-179-50.8-172.6-172.285.30113.2D43 E47D43-K45 PolarHBondContact O-N 3.12Å; D43-K45 IonicContact OD1-NZ 2.93Å; D43-K45 PolarHBondContact OD1-NZ 2.91Å; D43-K45 WeakPolarHBondContact OD2-CD 3.48Å; D43-K45 IonicContact OD2-NZ 3.57Å; D43-K45 PolarHBondContact OD2-NZ 3.15Å; K45-E47 VanDerWaalsContact C-N 3.31Å; K45-E47 PolarHBondContact O-N 3.34Å
46E59.9Low79.8Confident109 Ų10953.5 Ų53.551%0.50927%0.274SS..  trans-8661.3171.3-73-151.4142.900111.9P41 L48 A49 R101P41-E46 HydrophobicContact CG-CB 4.31Å; E46-L48 PolarHBondContact O-N 2.89Å; E46-A49 PolarHBondContact O-N 3.17Å; E46-R101 IonicContact OE2-CZ 2.74Å; E46-R101 IonicContact OE2-NH1 2.63Å; E46-R101 PolarHBondContact OE2-NH1 3.13Å; E46-R101 IonicContact OE2-NH2 2.71Å
47E60.2Low79.8Confident154 Ų15450 Ų5072%0.7226%0.257SS*.THydrogen-bonded Turntrans-54.8-13.9-176.2-63.1-174.4155.700115.7P17 K45P17-E47 WeakPolarHBondContact CB-O 3.48Å; K45-E47 VanDerWaalsContact C-N 3.31Å; K45-E47 PolarHBondContact O-N 3.34Å
48L62.5Low79.8Confident155 Ų15554.6 Ų54.681%0.81228%0.278SS*.THydrogen-bonded Turntrans-102.4-7.8-170.7-60.6176.5000114.6E46E46-L48 PolarHBondContact O-N 2.89Å
49A69.3Low79.7Confident19 Ų1958 Ų5816%0.15729%0.292CS..SBendtrans-97.5157.8-177.500000112.8P17 E46P17-A49 WeakPolarHBondContact CB-O 3.36Å; E46-A49 PolarHBondContact O-N 3.17Å
50S80.8Confident79.5Confident1 Ų158.5 Ų58.51%0.00730%0.296CS..PPolyproline II helixtrans-72.1148.6164.5720000110V15 R101 A102V15-S50 WeakPolarHBondContact O-CA 3.21Å; S50-R101 WeakPolarHBondContact O-CD 3.46Å; S50-R101 WeakPolarHBondContact OG-CG 3.45Å; S50-A102 WeakPolarHBondContact CB-O 3.37Å; S50-A102 PolarHBondContact OG-N 2.91Å; S50-A102 PolarHBondContact OG-O 3.39Å
51K87.4Confident79.6Confident13 Ų1361.3 Ų61.36%0.05731%0.312CS..EExtended strand (participates in β ladder)trans-89.4153.9170.1-76.8168.2171.9166.40110.2V15 P17 A19 V39 Y40 D44V15-K51 HydrophobicContact CB-CB 3.8Å; V15-K51 VanDerWaalsContact CB-O 3.29Å; V15-K51 WeakPolarHBondContact CB-O 3.48Å; V15-K51 HydrophobicContact CG1-CB 3.97Å; V15-K51 PolarHBondContact N-O 3.41Å; V15-K51 VanDerWaalsContact N-O 3.14Å; V15-K51 PolarHBondContact O-N 3.32Å; P17-K51 WeakPolarHBondContact O-CE 3.43Å; P17-K51 PolarHBondContact O-NZ 3.39Å; A19-K51 PolarHBondContact O-NZ 3.2Å; V39-K51 HydrophobicContact CG1-CB 4.21Å; V39-K51 HydrophobicContact CG1-CD 4.25Å; V39-K51 HydrophobicContact CG1-CG 4.39Å; Y40-K51 CarbonylContact O-C 3.45Å; Y40-K51 WeakPolarHBondContact O-CA 3.44Å; D44-K51 IonicContact OD1-NZ 2.69Å; D44-K51 PolarHBondContact OD1-NZ 2.95Å
52V87.6Confident80Confident1 Ų161.8 Ų61.81%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-120.7135.8170.3173.80000107.5V12 T13 V39 Y40 Y54 A97 V100 R101V12-V52 CarbonylContact O-C 3.58Å; V12-V52 WeakPolarHBondContact O-CA 3.3Å; T13-V52 HydrophobicContact CG2-CG1 4.24Å; T13-V52 HydrophobicContact CG2-CG2 4.19Å; V39-V52 CarbonylContact C-O 3.58Å; V39-V52 WeakPolarHBondContact CA-O 3.34Å; Y40-V52 PolarHBondContact N-O 2.91Å; Y40-V52 PolarHBondContact O-N 3Å; V52-Y54 HydrophobicContact CG1-CE2 3.87Å; V52-A97 HydrophobicContact CB-CB 4.41Å; V52-A97 HydrophobicContact CG1-CB 4.26Å; V52-V100 HydrophobicContact CG1-CG2 4.15Å; V52-V100 HydrophobicContact CG2-CG2 4.48Å; V52-R101 HydrophobicContact CG2-CB 4.06Å; V52-R101 HydrophobicContact CG2-CG 4.38Å
53C91.3Very high80.7Confident0 Ų057.7 Ų57.70%029%0.286CS..EExtended strand (participates in β ladder)trans-127.1139.7-179.71760000109.9V12 V15 L24 V38 V39V12-C53 HydrophobicContact CB-CB 4.15Å; V12-C53 PolarHBondContact N-O 3Å; V12-C53 PolarHBondContact O-N 2.72Å; V15-C53 HydrophobicContact CG2-CB 4.46Å; L24-C53 HydrophobicContact CD1-CB 4.03Å; V38-C53 CarbonylContact O-C 3.58Å; V38-C53 VanDerWaalsContact O-CA 3.26Å; V38-C53 WeakPolarHBondContact O-CA 3.35Å; V38-C53 PolarHBondContact O-SG 3.45Å; V39-C53 HydrophobicContact CG2-CB 4.19Å
54Y92.2Very high81.6Confident0 Ų057.3 Ų57.30%028%0.281CS..EExtended strand (participates in β ladder)trans-117136.9172.1-63.4-76.3000109.4V10 Q11 V37 V38 Y40 V52 L84 I91 P92 Y96 A97 V100V10-Y54 WeakPolarHBondContact O-CA 3.47Å; Q11-Y54 HydrophobicContact CB-CD1 4Å; Q11-Y54 HydrophobicContact CB-CE1 3.8Å; Q11-Y54 HydrophobicContact CG-CD1 4.19Å; Q11-Y54 HydrophobicContact CG-CE1 3.59Å; V37-Y54 WeakPolarHBondContact CA-O 3.49Å; V38-Y54 PolarHBondContact N-O 3.27Å; V38-Y54 PolarHBondContact O-N 2.96Å; Y40-Y54 HydrophobicContact CD2-CD2 4.02Å; Y40-Y54 AromaticContact CD2-CE2 3.9Å; Y40-Y54 HydrophobicContact CD2-CE2 3.9Å; Y40-Y54 AromaticContact CE2-CD2 3.94Å; Y40-Y54 HydrophobicContact CE2-CD2 3.94Å; Y40-Y54 HydrophobicContact CE2-CE2 4Å; V52-Y54 HydrophobicContact CG1-CE2 3.87Å; Y54-L84 HydrophobicContact CE1-CD1 4.3Å; Y54-I91 HydrophobicContact CD2-CG2 3.82Å; Y54-I91 HydrophobicContact CG-CG2 3.84Å; Y54-P92 HydrophobicContact CD1-CG 4.4Å; Y54-P92 HydrophobicContact CE1-CG 3.91Å; Y54-Y96 WeakPolarHBondContact OH-CD1 3.19Å; Y54-A97 HydrophobicContact CE2-CB 3.9Å; Y54-V100 WeakPolarHBondContact OH-CG2 3.32Å
55I92.6Very high82.9Confident0 Ų055.2 Ų55.20%027%0.272CS..EExtended strand (participates in β ladder)trans-132.9115.8-171.9-56.9-177.4000108.1V9 V10 V12 F28 L34 E36 V37 Y57V9-I55 CarbonylContact C-O 3.56Å; V9-I55 WeakPolarHBondContact CA-O 3.4Å; V10-I55 PolarHBondContact N-O 3.39Å; V10-I55 PolarHBondContact O-N 2.83Å; V12-I55 HydrophobicContact CG2-CD1 4.03Å; F28-I55 HydrophobicContact CB-CD1 3.63Å; F28-I55 HydrophobicContact CD1-CD1 3.73Å; F28-I55 HydrophobicContact CD2-CD1 3.3Å; F28-I55 HydrophobicContact CE1-CD1 4.19Å; F28-I55 HydrophobicContact CE2-CD1 3.82Å; F28-I55 HydrophobicContact CG-CD1 3.25Å; F28-I55 HydrophobicContact CZ-CD1 4.24Å; L34-I55 HydrophobicContact CD2-CG2 3.79Å; E36-I55 WeakPolarHBondContact O-CA 3.49Å; V37-I55 HydrophobicContact CG1-CG1 4.29Å; V37-I55 HydrophobicContact CG2-CG1 4.35Å; V37-I55 HydrophobicContact CG2-CG2 4.25Å; I55-Y57 HydrophobicContact CB-CE2 4.47Å; I55-Y57 HydrophobicContact CG2-CD2 4Å; I55-Y57 HydrophobicContact CG2-CE2 3.6Å
56R91.9Very high84.3Confident37 Ų3747.7 Ų47.714%0.1424%0.24CC..EExtended strand (participates in β ladder)trans-95.9121.9168.2-171.9163.869.3-101.6-8.5109.1R8 V9 E35 E36 D89R8-R56 HydrophobicContact CB-CG 4.12Å; R8-R56 WeakPolarHBondContact O-CA 3.24Å; V9-R56 HydrophobicContact CG2-CB 4.11Å; V9-R56 HydrophobicContact CG2-CG 4.01Å; E35-R56 HydrophobicContact CB-CG 4.45Å; E35-R56 WeakPolarHBondContact CB-O 3.42Å; E35-R56 PolarHBondContact N-O 3.26Å; E35-R56 IonicContact OE1-CZ 2.79Å; E35-R56 VanDerWaalsContact OE1-CZ 3.25Å; E35-R56 IonicContact OE1-NE 3.6Å; E35-R56 PolarHBondContact OE1-NE 3.39Å; E35-R56 IonicContact OE1-NH2 3.69Å; E35-R56 PolarHBondContact OE1-NH2 2.87Å; E35-R56 IonicContact OE2-CZ 3.16Å; E35-R56 IonicContact OE2-NE 2.85Å; E35-R56 PolarHBondContact OE2-NE 3.35Å; E36-R56 HydrophobicContact CB-CB 4.22Å; E36-R56 PolarHBondContact N-O 2.97Å; E36-R56 PolarHBondContact O-N 2.99Å; E36-R56 IonicContact OE2-CZ 2.72Å; E36-R56 IonicContact OE2-NH1 3.17Å; E36-R56 PolarHBondContact OE2-NH1 3.39Å; E36-R56 IonicContact OE2-NH2 2.75Å; E36-R56 PolarHBondContact OE2-NH2 2.87Å; R56-D89 WeakPolarHBondContact CD-O 3.42Å
57Y92.7Very high85.6Confident0 Ų044.4 Ų44.40%023%0.225CC..EExtended strand (participates in β ladder)trans-89.3147.3173.5-77.3-84.7000111.4R8 V10 F28 V31 L34 I55 E59 N62 A63 A66R8-Y57 WeakPolarHBondContact CB-O 3.22Å; R8-Y57 PolarHBondContact O-N 3.47Å; V10-Y57 HydrophobicContact CG2-CD2 4.17Å; V10-Y57 HydrophobicContact CG2-CE2 4.07Å; F28-Y57 WeakPolarHBondContact CB-OH 3.26Å; F28-Y57 WeakPolarHBondContact CD1-OH 3.37Å; F28-Y57 PolarHBondContact O-OH 3.21Å; F28-Y57 VanDerWaalsContact O-OH 3.05Å; V31-Y57 HydrophobicContact CB-CE1 4.11Å; V31-Y57 HydrophobicContact CG1-CE1 4.27Å; L34-Y57 HydrophobicContact CD2-CD1 3.72Å; L34-Y57 HydrophobicContact CD2-CE1 3.24Å; L34-Y57 HydrophobicContact CD2-CE2 4.49Å; I55-Y57 HydrophobicContact CB-CE2 4.47Å; I55-Y57 HydrophobicContact CG2-CD2 4Å; I55-Y57 HydrophobicContact CG2-CE2 3.6Å; Y57-E59 WeakPolarHBondContact CB-O 3.23Å; Y57-E59 PolarHBondContact O-N 3.21Å; Y57-N62 HydrophobicContact CD1-CB 3.41Å; Y57-N62 VanDerWaalsContact CD1-CB 3.41Å; Y57-N62 HydrophobicContact CE1-CB 3.92Å; Y57-N62 HydrophobicContact CG-CB 3.85Å; Y57-A63 HydrophobicContact CD2-CB 3.97Å; Y57-A66 HydrophobicContact CE2-CB 3.62Å; Y57-A66 WeakPolarHBondContact OH-CB 3.45Å
58Q90.3Very high86.8Confident106 Ų10643.1 Ų43.150%0.49522%0.219SC..SBendtrans-59.4-36.7172.6-172.9177.4900111.6R8 V33R8-Q58 PolarHBondContact NH1-O 2.82Å; V33-Q58 HydrophobicContact CB-CB 4.1Å; V33-Q58 HydrophobicContact CG1-CB 4.3Å; V33-Q58 PolarHBondContact O-N 3.45Å
59E88.7Confident88Confident100 Ų10037.5 Ų37.547%0.46719%0.19SC..SBendtrans-119.9141.8179.7-56.5-179148.900111.6Y57 I61 N62Y57-E59 WeakPolarHBondContact CB-O 3.23Å; Y57-E59 PolarHBondContact O-N 3.21Å; E59-I61 VanDerWaalsContact C-N 3.28Å; E59-I61 PolarHBondContact O-N 3.32Å; E59-N62 PolarHBondContact O-N 2.97Å; E59-N62 PolarHBondContact OE2-ND2 3.31Å
60P87.3Confident88.5Confident31 Ų3137.3 Ų37.320%0.20119%0.186CC..Hα-helixtrans-69.9-22.8179.728.7-35.5000113.9K6 R8 N62 A63 E64K6-P60 HydrophobicContact CB-CB 3.46Å; K6-P60 VanDerWaalsContact CB-CB 3.46Å; K6-P60 HydrophobicContact CB-CG 4.05Å; K6-P60 HydrophobicContact CD-CB 4.32Å; K6-P60 HydrophobicContact CD-CG 4.39Å; K6-P60 WeakPolarHBondContact O-CB 3.38Å; R8-P60 HydrophobicContact CG-CB 4.29Å; P60-N62 VanDerWaalsContact C-N 3.26Å; P60-N62 PolarHBondContact O-N 3.42Å; P60-A63 WeakPolarHBondContact O-CB 3.29Å; P60-A63 PolarHBondContact O-N 3.45Å; P60-E64 PolarHBondContact O-N 2.86Å
61I89.3Confident88.2Confident98 Ų9839.4 Ų39.450%0.50320%0.197SC..Hα-helixtrans-62.2-39.7175.3-61174.6000109.6E59 A63 E64 V65E59-I61 VanDerWaalsContact C-N 3.28Å; E59-I61 PolarHBondContact O-N 3.32Å; I61-A63 VanDerWaalsContact C-N 3.29Å; I61-A63 PolarHBondContact O-N 3.1Å; I61-E64 WeakPolarHBondContact O-CB 3.27Å; I61-E64 PolarHBondContact O-N 2.72Å; I61-E64 VanDerWaalsContact O-N 3.13Å; I61-V65 HydrophobicContact CG2-CG2 4.39Å; I61-V65 WeakPolarHBondContact O-CG2 3.19Å; I61-V65 PolarHBondContact O-N 3.15Å
62N91.9Very high88.2Confident23 Ų2341 Ų4112%0.12321%0.208CC..Hα-helixtrans-69.2-29.4179.3-57.3-27.9000111.5V31 Y57 E59 P60 A66V31-N62 HydrophobicContact CG1-CB 4.41Å; V31-N62 VanDerWaalsContact CG1-O 3.22Å; V31-N62 WeakPolarHBondContact CG1-O 3.28Å; V31-N62 PolarHBondContact O-OD1 3.4Å; Y57-N62 HydrophobicContact CD1-CB 3.41Å; Y57-N62 VanDerWaalsContact CD1-CB 3.41Å; Y57-N62 HydrophobicContact CE1-CB 3.92Å; Y57-N62 HydrophobicContact CG-CB 3.85Å; E59-N62 PolarHBondContact O-N 2.97Å; E59-N62 PolarHBondContact OE2-ND2 3.31Å; P60-N62 VanDerWaalsContact C-N 3.26Å; P60-N62 PolarHBondContact O-N 3.42Å; N62-A66 VanDerWaalsContact O-CB 3.28Å; N62-A66 WeakPolarHBondContact O-CB 3.29Å; N62-A66 PolarHBondContact O-N 2.96Å
63A88.5Confident88.1Confident5 Ų545.6 Ų45.64%0.04124%0.236CC..Hα-helixtrans-67.4-41.4169.500000112.4N7 V10 Y57 P60 I61 A66 L67N7-A63 WeakPolarHBondContact O-CB 3.45Å; V10-A63 HydrophobicContact CG2-CB 3.68Å; Y57-A63 HydrophobicContact CD2-CB 3.97Å; P60-A63 WeakPolarHBondContact O-CB 3.29Å; P60-A63 PolarHBondContact O-N 3.45Å; I61-A63 VanDerWaalsContact C-N 3.29Å; I61-A63 PolarHBondContact O-N 3.1Å; A63-A66 PolarHBondContact O-N 2.75Å; A63-L67 PolarHBondContact O-N 3.13Å
64E86.2Confident88Confident80 Ų8047.1 Ų47.137%0.37424%0.243SC..Hα-helixtrans-64.8-41.6174.1-69.2174.4170.100112.1K6 P60 I61 L67 H68K6-E64 WeakPolarHBondContact CD-OE1 3.49Å; K6-E64 WeakPolarHBondContact CE-OE1 3.47Å; K6-E64 IonicContact NZ-OE1 3.83Å; K6-E64 PolarHBondContact NZ-OE1 3.15Å; K6-E64 IonicContact NZ-OE2 2.7Å; K6-E64 PolarHBondContact NZ-OE2 2.58Å; P60-E64 PolarHBondContact O-N 2.86Å; I61-E64 WeakPolarHBondContact O-CB 3.27Å; I61-E64 PolarHBondContact O-N 2.72Å; I61-E64 VanDerWaalsContact O-N 3.13Å; E64-L67 WeakPolarHBondContact O-CB 3.11Å; E64-L67 PolarHBondContact O-N 2.86Å; E64-H68 PolarHBondContact O-CE1 3.09Å; E64-H68 PolarHBondContact O-ND1 3.04Å; E64-H68 VanDerWaalsContact O-ND1 3.12Å
65V90.2Very high87.7Confident69 Ų6951.6 Ų51.642%0.41827%0.266SS..Hα-helixtrans-65.6-39174.3179.90000110.7V31 I61 L67 H68V31-V65 HydrophobicContact CG1-CB 3.74Å; V31-V65 HydrophobicContact CG1-CG1 3.69Å; I61-V65 HydrophobicContact CG2-CG2 4.39Å; I61-V65 WeakPolarHBondContact O-CG2 3.19Å; I61-V65 PolarHBondContact O-N 3.15Å; V65-L67 PolarHBondContact O-N 2.74Å; V65-L67 VanDerWaalsContact O-N 3.17Å; V65-H68 VanDerWaalsContact O-CB 3.23Å; V65-H68 WeakPolarHBondContact O-CB 3.06Å; V65-H68 PolarHBondContact O-N 2.93Å; V65-H68 PolarHBondContact O-ND1 2.7Å; V65-H68 VanDerWaalsContact O-ND1 3.07Å
66A90.3Very high87.3Confident0 Ų055.8 Ų55.80%029%0.288CS..Hα-helixtrans-60.2-28.2178.900000113.5V10 F28 V31 Y57 N62 A63 H68 L69 V81V10-A66 HydrophobicContact CG2-CB 4.23Å; F28-A66 HydrophobicContact CD1-CB 4.34Å; V31-A66 HydrophobicContact CG1-CB 4.15Å; Y57-A66 HydrophobicContact CE2-CB 3.62Å; Y57-A66 WeakPolarHBondContact OH-CB 3.45Å; N62-A66 VanDerWaalsContact O-CB 3.28Å; N62-A66 WeakPolarHBondContact O-CB 3.29Å; N62-A66 PolarHBondContact O-N 2.96Å; A63-A66 PolarHBondContact O-N 2.75Å; A66-H68 PolarHBondContact O-N 3.11Å; A66-H68 VanDerWaalsContact O-N 3.15Å; A66-L69 WeakPolarHBondContact O-CB 3.42Å; A66-L69 PolarHBondContact O-N 2.64Å; A66-V81 WeakPolarHBondContact O-CG1 3.37Å
67L86.4Confident86.8Confident40 Ų4055.4 Ų55.421%0.20929%0.287CS..G310 helixtrans-60-22.2172.9-55.4-173.3000113V10 A63 E64 V65 L69 N70 V81 P83V10-L67 HydrophobicContact CG1-CD2 4.32Å; A63-L67 PolarHBondContact O-N 3.13Å; E64-L67 WeakPolarHBondContact O-CB 3.11Å; E64-L67 PolarHBondContact O-N 2.86Å; V65-L67 PolarHBondContact O-N 2.74Å; V65-L67 VanDerWaalsContact O-N 3.17Å; L67-L69 PolarHBondContact O-N 2.73Å; L67-N70 WeakPolarHBondContact O-CB 3.44Å; L67-N70 PolarHBondContact O-N 3.22Å; L67-N70 VanDerWaalsContact O-N 3.1Å; L67-V81 HydrophobicContact CD2-CG1 4.22Å; L67-P83 HydrophobicContact CD1-CB 4.38Å; L67-P83 HydrophobicContact CD1-CG 4.26Å; L67-P83 HydrophobicContact CD2-CB 4.38Å
68H85.1Confident86.4Confident127 Ų12755.7 Ų55.759%0.58829%0.29SS*.G310 helixtrans-73.5-15175.6-59.270.2000112.6E64 V65 A66 N70E64-H68 PolarHBondContact O-CE1 3.09Å; E64-H68 PolarHBondContact O-ND1 3.04Å; E64-H68 VanDerWaalsContact O-ND1 3.12Å; V65-H68 VanDerWaalsContact O-CB 3.23Å; V65-H68 WeakPolarHBondContact O-CB 3.06Å; V65-H68 PolarHBondContact O-N 2.93Å; V65-H68 PolarHBondContact O-ND1 2.7Å; V65-H68 VanDerWaalsContact O-ND1 3.07Å; A66-H68 PolarHBondContact O-N 3.11Å; A66-H68 VanDerWaalsContact O-N 3.15Å; H68-N70 PolarHBondContact O-N 3.45Å
69L87.8Confident86.2Confident38 Ų3850.7 Ų50.720%0.19927%0.266CS..G310 helixtrans-78-3.3168.6-61.7179000112.6L27 F28 V31 A66 L67 N71 T72 V81L27-L69 HydrophobicContact CG-CD1 4.3Å; F28-L69 HydrophobicContact CD1-CD1 3.68Å; F28-L69 HydrophobicContact CE1-CB 4.24Å; F28-L69 HydrophobicContact CE1-CD1 3.64Å; F28-L69 HydrophobicContact CG-CD1 4.42Å; F28-L69 HydrophobicContact CZ-CD1 4.35Å; V31-L69 HydrophobicContact CG2-CD1 3.63Å; V31-L69 HydrophobicContact CG2-CG 4.36Å; A66-L69 WeakPolarHBondContact O-CB 3.42Å; A66-L69 PolarHBondContact O-N 2.64Å; L67-L69 PolarHBondContact O-N 2.73Å; L69-N71 PolarHBondContact O-N 3.47Å; L69-T72 WeakPolarHBondContact CA-OG1 3.5Å; L69-T72 WeakPolarHBondContact O-CB 3.36Å; L69-T72 PolarHBondContact O-N 3.42Å; L69-T72 PolarHBondContact O-OG1 3.03Å; L69-V81 HydrophobicContact CB-CG2 4.43Å
70N80.9Confident86Confident14 Ų1446.9 Ų46.98%0.07525%0.249CC..THydrogen-bonded Turntrans-57.8133.7173.3-172.732.5000111.6L67 H68 T72 I80 V81 I122L67-N70 WeakPolarHBondContact O-CB 3.44Å; L67-N70 PolarHBondContact O-N 3.22Å; L67-N70 VanDerWaalsContact O-N 3.1Å; H68-N70 PolarHBondContact O-N 3.45Å; N70-T72 PolarHBondContact O-N 3.34Å; N70-I80 WeakPolarHBondContact OD1-CA 3.4Å; N70-V81 HydrophobicContact CB-CB 3.95Å; N70-V81 HydrophobicContact CB-CG2 4.5Å; N70-V81 PolarHBondContact OD1-N 3.19Å; N70-I122 WeakPolarHBondContact ND2-CD1 3.15Å; N70-I122 WeakPolarHBondContact ND2-CG1 3.27Å
71N74.6Confident86Confident46 Ų4645.4 Ų45.425%0.24624%0.239CC..THydrogen-bonded Turntrans68.15.8-171.3-38.9-88.1000115.5L69 V73 L79 V110L69-N71 PolarHBondContact O-N 3.47Å; N71-V73 PolarHBondContact O-N 3.33Å; N71-L79 WeakPolarHBondContact CA-O 3.43Å; N71-L79 PolarHBondContact N-O 3.42Å; N71-V110 HydrophobicContact CB-CG2 3.69Å
72T86.3Confident85.6Confident47 Ų4741 Ų4129%0.28822%0.217SC..  trans-62.3128170.9-59.80000109.5L69 N70 F74 A78 L79L69-T72 WeakPolarHBondContact CA-OG1 3.5Å; L69-T72 WeakPolarHBondContact O-CB 3.36Å; L69-T72 PolarHBondContact O-N 3.42Å; L69-T72 PolarHBondContact O-OG1 3.03Å; N70-T72 PolarHBondContact O-N 3.34Å; T72-F74 PolarHBondContact O-N 3.42Å; T72-A78 WeakPolarHBondContact O-CA 3.32Å; T72-L79 PolarHBondContact O-N 3Å
73V86.2Confident85.1Confident96 Ų9641.3 Ų41.358%0.58222%0.22SC*.EExtended strand (participates in β ladder)trans-75.4116.5175-179.10000109N71 R77N71-V73 PolarHBondContact O-N 3.33Å; V73-R77 CarbonylContact C-O 3.6Å; V73-R77 WeakPolarHBondContact CA-O 3.48Å
74F87.9Confident84.5Confident33 Ų3342 Ų4215%0.14522%0.222CC..EExtended strand (participates in β ladder)trans-119.8118.5177.7-162.7-115.4000109.3A19 Q23 L24 L27 T72 D76 R77 L79A19-F74 HydrophobicContact CB-CE1 4.32Å; Q23-F74 HydrophobicContact CB-CE1 4.12Å; Q23-F74 HydrophobicContact CB-CZ 3.88Å; Q23-F74 WeakPolarHBondContact O-CZ 3.11Å; L24-F74 HydrophobicContact CD2-CD1 4.26Å; L24-F74 HydrophobicContact CD2-CE1 3.94Å; L24-F74 HydrophobicContact CG-CE1 4.45Å; L27-F74 HydrophobicContact CB-CE2 3.91Å; L27-F74 HydrophobicContact CB-CZ 4.13Å; L27-F74 HydrophobicContact CD1-CD2 4.39Å; L27-F74 HydrophobicContact CD1-CE2 4.23Å; L27-F74 HydrophobicContact CD2-CD2 3.72Å; L27-F74 HydrophobicContact CD2-CE2 3.84Å; L27-F74 HydrophobicContact CD2-CG 4.15Å; L27-F74 HydrophobicContact CD2-CZ 4.35Å; L27-F74 HydrophobicContact CG-CD2 4.47Å; L27-F74 HydrophobicContact CG-CE2 4.21Å; T72-F74 PolarHBondContact O-N 3.42Å; F74-D76 PolarHBondContact O-N 2.91Å; F74-D76 VanDerWaalsContact O-N 3.13Å; F74-R77 PolarHBondContact N-O 3.39Å; F74-R77 PolarHBondContact O-N 3.34Å; F74-R77 VanDerWaalsContact O-N 3.13Å; F74-L79 HydrophobicContact CB-CD1 3.81Å; F74-L79 HydrophobicContact CB-CD2 3.95Å; F74-L79 HydrophobicContact CB-CG 3.72Å; F74-L79 HydrophobicContact CG-CD1 4.24Å
75L87.1Confident83.2Confident93 Ų9341.8 Ų41.849%0.48723%0.23SC..THydrogen-bonded Turntrans53.5-110.6-164.7-52.7-179.3000111.1A19A19-L75 HydrophobicContact CB-CD1 3.99Å
76D84.5Confident81.6Confident88 Ų8840.4 Ų40.447%0.47123%0.23SC..THydrogen-bonded Turntrans-97.2-8.1-179.763.7-59.5000114.6S16 F74S16-D76 WeakPolarHBondContact CB-OD1 3.47Å; S16-D76 PolarHBondContact OG-OD1 2.69Å; F74-D76 PolarHBondContact O-N 2.91Å; F74-D76 VanDerWaalsContact O-N 3.13Å
77R81.2Confident80Confident29 Ų2949 Ų4911%0.10928%0.276CS..EExtended strand (participates in β ladder)trans-125.7144.7-169.4-53.6-160.9-177.6-167.11.2113.7N14 V73 F74 L79N14-R77 VanDerWaalsContact O-CB 3.27Å; N14-R77 WeakPolarHBondContact O-CB 3.34Å; N14-R77 WeakPolarHBondContact O-CD 3.37Å; V73-R77 CarbonylContact C-O 3.6Å; V73-R77 WeakPolarHBondContact CA-O 3.48Å; F74-R77 PolarHBondContact N-O 3.39Å; F74-R77 PolarHBondContact O-N 3.34Å; F74-R77 VanDerWaalsContact O-N 3.13Å; R77-L79 PolarHBondContact O-N 2.85Å
78A83Confident78.7Confident7 Ų756.2 Ų56.26%0.05830%0.3CS..EExtended strand (participates in β ladder)trans-76.6119.6167.300000109.4N14 T72N14-A78 PolarHBondContact ND2-O 3.1Å; T72-A78 WeakPolarHBondContact O-CA 3.32Å
79L87.3Confident77.8Confident0 Ų052.6 Ų52.60%029%0.285CS..  trans-65.5136175.9-62.6-179.7000110.3V12 V15 L27 F28 N71 T72 F74 R77 V81V12-L79 HydrophobicContact CG1-CB 4.3Å; V12-L79 HydrophobicContact CG1-CD1 4.46Å; V12-L79 HydrophobicContact CG1-CD2 4.06Å; V15-L79 HydrophobicContact CB-CD2 4.42Å; V15-L79 HydrophobicContact CG2-CD2 3.94Å; L27-L79 HydrophobicContact CD2-CD1 3.48Å; L27-L79 VanDerWaalsContact CD2-CD1 3.48Å; F28-L79 HydrophobicContact CE2-CD1 4.11Å; F28-L79 HydrophobicContact CZ-CD1 4.06Å; N71-L79 WeakPolarHBondContact CA-O 3.43Å; N71-L79 PolarHBondContact N-O 3.42Å; T72-L79 PolarHBondContact O-N 3Å; F74-L79 HydrophobicContact CB-CD1 3.81Å; F74-L79 HydrophobicContact CB-CD2 3.95Å; F74-L79 HydrophobicContact CB-CG 3.72Å; F74-L79 HydrophobicContact CG-CD1 4.24Å; R77-L79 PolarHBondContact O-N 2.85Å; L79-V81 HydrophobicContact CB-CG2 4.1Å
80I83.5Confident77.3Confident21 Ų2155 Ų5511%0.10830%0.301CS..EExtended strand (participates in β ladder)trans-101.9110.2170.5-59.7174.9000107V12 T13 N14 N70 L82 T106 M124V12-I80 CarbonylContact C-O 3.59Å; V12-I80 VanDerWaalsContact CA-O 3.31Å; V12-I80 WeakPolarHBondContact CA-O 3.44Å; T13-I80 PolarHBondContact N-O 2.7Å; T13-I80 PolarHBondContact O-N 3.07Å; N14-I80 HydrophobicContact CB-CD1 3.97Å; N14-I80 HydrophobicContact CB-CG1 4.07Å; N70-I80 WeakPolarHBondContact OD1-CA 3.4Å; I80-L82 HydrophobicContact CG2-CD1 3.99Å; I80-L82 HydrophobicContact CG2-CG 4.21Å; I80-T106 HydrophobicContact CD1-CG2 4.5Å; I80-M124 HydrophobicContact CD1-CE 4.33Å; I80-M124 HydrophobicContact CG2-CE 4.19Å
81V87.3Confident77.3Confident0 Ų055.7 Ų55.70%031%0.305CS..EExtended strand (participates in β ladder)trans-111.9123-174.3-171.20000109.6V10 V12 F28 A66 L67 L69 N70 L79V10-V81 HydrophobicContact CG1-CG1 3.32Å; V12-V81 HydrophobicContact CG1-CG2 4.29Å; V12-V81 HydrophobicContact CG2-CG1 4.36Å; V12-V81 HydrophobicContact CG2-CG2 4.41Å; F28-V81 HydrophobicContact CE1-CG1 4.38Å; F28-V81 HydrophobicContact CE1-CG2 4.33Å; F28-V81 HydrophobicContact CZ-CG2 4.07Å; A66-V81 WeakPolarHBondContact O-CG1 3.37Å; L67-V81 HydrophobicContact CD2-CG1 4.22Å; L69-V81 HydrophobicContact CB-CG2 4.43Å; N70-V81 HydrophobicContact CB-CB 3.95Å; N70-V81 HydrophobicContact CB-CG2 4.5Å; N70-V81 PolarHBondContact OD1-N 3.19Å; L79-V81 HydrophobicContact CB-CG2 4.1Å
82L81.2Confident77.5Confident6 Ų654.7 Ų54.73%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-135.7144.5-169.7-73164.5000111.1Q11 I80 I122 M124 M137Q11-L82 PolarHBondContact N-O 2.68Å; Q11-L82 PolarHBondContact O-N 2.81Å; I80-L82 HydrophobicContact CG2-CD1 3.99Å; I80-L82 HydrophobicContact CG2-CG 4.21Å; L82-I122 HydrophobicContact CD2-CB 4.18Å; L82-I122 HydrophobicContact CD2-CD1 3.6Å; L82-I122 HydrophobicContact CD2-CG1 4.47Å; L82-I122 HydrophobicContact CD2-CG2 4.13Å; L82-M124 HydrophobicContact CD1-CE 4.39Å; L82-M124 HydrophobicContact CD1-SD 3.89Å; L82-M137 HydrophobicContact CD1-SD 4.05Å; L82-M137 HydrophobicContact CD2-SD 3.94Å
83P81.8Confident77.2Confident29 Ų2957.7 Ų57.719%0.18832%0.315CS..EExtended strand (participates in β ladder)trans-70.9132168.330.2-32.1000109.6L67 S85 P139L67-P83 HydrophobicContact CD1-CB 4.38Å; L67-P83 HydrophobicContact CD1-CG 4.26Å; L67-P83 HydrophobicContact CD2-CB 4.38Å; P83-S85 PolarHBondContact O-N 2.76Å; P83-S85 VanDerWaalsContact O-N 3.1Å; P83-S85 PolarHBondContact O-OG 3.42Å; P83-P139 HydrophobicContact CG-CB 4.5Å; P83-P139 HydrophobicContact CG-CG 3.89Å
84L75.1Confident76.9Confident18 Ų1857.1 Ų57.19%0.09431%0.306CS..  trans-70.2109.9176.8-176.567.4000109.4N7 V9 Y54 G86 P92 Y96N7-L84 PolarHBondContact ND2-O 3.2Å; V9-L84 HydrophobicContact CB-CB 4.16Å; V9-L84 HydrophobicContact CB-CD2 4.06Å; V9-L84 HydrophobicContact CG1-CB 4.07Å; V9-L84 HydrophobicContact CG1-CD2 3.61Å; V9-L84 WeakPolarHBondContact O-CB 3.11Å; V9-L84 PolarHBondContact O-N 3.13Å; V9-L84 VanDerWaalsContact O-N 3.07Å; Y54-L84 HydrophobicContact CE1-CD1 4.3Å; L84-G86 PolarHBondContact O-N 3.42Å; L84-P92 HydrophobicContact CD1-CG 3.85Å; L84-P92 HydrophobicContact CD2-CG 3.76Å; L84-P92 HydrophobicContact CG-CG 4.46Å; L84-Y96 HydrophobicContact CD1-CE1 4.29Å
85S58.9Low76.4Confident77 Ų7763.9 Ų63.954%0.53834%0.335SS..  trans-86.286.5-173.8-61.60000111.8P83P83-S85 PolarHBondContact O-N 2.76Å; P83-S85 VanDerWaalsContact O-N 3.1Å; P83-S85 PolarHBondContact O-OG 3.42Å
86G58.2Low75.9Confident40 Ų4064.2 Ų64.241%0.41233%0.331SS..SBendtrans-170.4154.1170.400000111.8L84 R88L84-G86 PolarHBondContact O-N 3.42Å; G86-R88 PolarHBondContact O-N 2.97Å
87D55.3Low75.6Confident179 Ų17960.1 Ų60.196%0.95731%0.309SS*.SBendtrans-73.625.4-170.1-53.5-61.1000115.3
88R59.1Low75.3Confident193 Ų19361.8 Ų61.873%0.72832%0.321SS*.  trans-140.9124.7-175.5-58.1-177-179.7-175-0.9110G86 T90G86-R88 PolarHBondContact O-N 2.97Å; R88-T90 HydrophobicContact CB-CG2 4.25Å; R88-T90 VanDerWaalsContact CB-OG1 3.27Å; R88-T90 WeakPolarHBondContact CB-OG1 3.41Å; R88-T90 PolarHBondContact O-N 2.78Å
89D67.9Low74.7Confident51 Ų5167.8 Ų67.827%0.27335%0.351SS..  trans-70.322.8170.1-65.7-64.5000112.9R8 V9 R56R8-D89 WeakPolarHBondContact CB-OD1 3.3Å; R8-D89 PolarHBondContact N-OD1 3.43Å; V9-D89 HydrophobicContact CG2-CB 4.23Å; V9-D89 WeakPolarHBondContact CG2-O 3.45Å; R56-D89 WeakPolarHBondContact CD-O 3.42Å
90T76.6Confident74Confident88 Ų8869.1 Ų69.154%0.5436%0.359SS..PPolyproline II helixtrans-91.4130.4179.654.20000110.7R88R88-T90 HydrophobicContact CB-CG2 4.25Å; R88-T90 VanDerWaalsContact CB-OG1 3.27Å; R88-T90 WeakPolarHBondContact CB-OG1 3.41Å; R88-T90 PolarHBondContact O-N 2.78Å
91I81.3Confident73.5Confident28 Ų2871.3 Ų71.314%0.14437%0.366CS..PPolyproline II helixtrans-67.3134.8176.1-69178.9000110.2V9 E36 V38 Y54V9-I91 HydrophobicContact CG1-CG1 4.32Å; E36-I91 HydrophobicContact CB-CD1 4.09Å; E36-I91 HydrophobicContact CG-CD1 3.82Å; V38-I91 HydrophobicContact CB-CD1 4.32Å; V38-I91 HydrophobicContact CB-CG2 4.13Å; V38-I91 HydrophobicContact CG2-CD1 3.71Å; V38-I91 HydrophobicContact CG2-CG2 4.14Å; Y54-I91 HydrophobicContact CD2-CG2 3.82Å; Y54-I91 HydrophobicContact CG-CG2 3.84Å
92P78.2Confident72.6Confident25 Ų2571.7 Ų71.716%0.16237%0.369CS..PPolyproline II helixtrans-74.1147.3178.7-17.431.9000114Y40 Y54 L84 Y96Y40-P92 WeakPolarHBondContact CE2-O 3.38Å; Y54-P92 HydrophobicContact CD1-CG 4.4Å; Y54-P92 HydrophobicContact CE1-CG 3.91Å; L84-P92 HydrophobicContact CD1-CG 3.85Å; L84-P92 HydrophobicContact CD2-CG 3.76Å; L84-P92 HydrophobicContact CG-CG 4.46Å; P92-Y96 HydrophobicContact CB-CD1 3.46Å; P92-Y96 VanDerWaalsContact CB-CD1 3.46Å; P92-Y96 HydrophobicContact CB-CE1 4.28Å; P92-Y96 HydrophobicContact CB-CG 3.86Å; P92-Y96 HydrophobicContact CG-CD1 3.78Å; P92-Y96 HydrophobicContact CG-CE1 4.12Å
93D79.2Confident72Confident110 Ų11072.1 Ų72.159%0.58837%0.372SS*.PPolyproline II helixtrans-53.9156.8173.4-69-2.6000114.1K95 Y96 A97D93-K95 PolarHBondContact O-N 2.86Å; D93-Y96 PolarHBondContact O-N 2.95Å; D93-A97 PolarHBondContact O-N 2.96Å
94E80.8Confident71Confident85 Ų8574.4 Ų74.440%0.39739%0.387SS..Hα-helixtrans-50-30.1170.9-176.7164.9-141.200114Y40 A97 N98Y40-E94 HydrophobicContact CD1-CB 3.62Å; Y40-E94 HydrophobicContact CD1-CG 3.79Å; Y40-E94 HydrophobicContact CE1-CB 3.59Å; Y40-E94 HydrophobicContact CE1-CG 4.26Å; Y40-E94 HydrophobicContact CG-CB 4.26Å; Y40-E94 HydrophobicContact CG-CG 4.32Å; E94-A97 PolarHBondContact O-N 3.48Å; E94-N98 VanDerWaalsContact CG-ND2 3.32Å; E94-N98 WeakPolarHBondContact CG-ND2 3.49Å; E94-N98 WeakPolarHBondContact O-CB 3.32Å; E94-N98 PolarHBondContact O-N 2.88Å; E94-N98 PolarHBondContact O-ND2 3.36Å
95K76.5Confident70.3Confident174 Ų17479.4 Ų79.476%0.75741%0.414SS*.Hα-helixtrans-63.3-41.1175.3-68.4175.5-178168.50112.1D93 L99D93-K95 PolarHBondContact O-N 2.86Å; K95-L99 PolarHBondContact O-N 3.35Å
96Y76.3Confident70.3Confident101 Ų10176.9 Ų76.940%0.39640%0.395SS..Hα-helixtrans-75.1-40.1174.9-176.4-93.5000110.7Y54 L84 P92 D93 N98 L99 V100Y54-Y96 WeakPolarHBondContact OH-CD1 3.19Å; L84-Y96 HydrophobicContact CD1-CE1 4.29Å; P92-Y96 HydrophobicContact CB-CD1 3.46Å; P92-Y96 VanDerWaalsContact CB-CD1 3.46Å; P92-Y96 HydrophobicContact CB-CE1 4.28Å; P92-Y96 HydrophobicContact CB-CG 3.86Å; P92-Y96 HydrophobicContact CG-CD1 3.78Å; P92-Y96 HydrophobicContact CG-CE1 4.12Å; D93-Y96 PolarHBondContact O-N 2.95Å; Y96-N98 VanDerWaalsContact C-N 3.27Å; Y96-N98 PolarHBondContact O-N 2.9Å; Y96-L99 WeakPolarHBondContact O-CB 3.34Å; Y96-L99 PolarHBondContact O-N 3.34Å; Y96-V100 HydrophobicContact CD1-CG1 4.3Å; Y96-V100 HydrophobicContact CE1-CG1 3.77Å; Y96-V100 HydrophobicContact CE1-CG2 4.46Å; Y96-V100 HydrophobicContact CE2-CG1 4.44Å; Y96-V100 PolarHBondContact O-N 3.49Å; Y96-V100 VanDerWaalsContact O-N 3.09Å
97A78.3Confident69.7Low2 Ų278.5 Ų78.52%0.01740%0.404CS..Hα-helixtrans-54.3-43.5173.700000112.3Y40 V52 Y54 D93 E94 L99 V100 R101Y40-A97 HydrophobicContact CD2-CB 3.36Å; Y40-A97 HydrophobicContact CE2-CB 4.13Å; Y40-A97 HydrophobicContact CG-CB 3.75Å; V52-A97 HydrophobicContact CB-CB 4.41Å; V52-A97 HydrophobicContact CG1-CB 4.26Å; Y54-A97 HydrophobicContact CE2-CB 3.9Å; D93-A97 PolarHBondContact O-N 2.96Å; E94-A97 PolarHBondContact O-N 3.48Å; A97-L99 VanDerWaalsContact C-N 3.32Å; A97-L99 PolarHBondContact O-N 2.94Å; A97-V100 WeakPolarHBondContact O-CG2 3.41Å; A97-V100 PolarHBondContact O-N 3.29Å; A97-R101 WeakPolarHBondContact O-CB 3.47Å; A97-R101 PolarHBondContact O-N 3.38Å
98N76.6Confident68.8Low64 Ų6473 Ų7334%0.34238%0.384SS..Hα-helixtrans-67.2-27.5176.1-87.8-72.5000114E94 Y96 R101E94-N98 VanDerWaalsContact CG-ND2 3.32Å; E94-N98 WeakPolarHBondContact CG-ND2 3.49Å; E94-N98 WeakPolarHBondContact O-CB 3.32Å; E94-N98 PolarHBondContact O-N 2.88Å; E94-N98 PolarHBondContact O-ND2 3.36Å; Y96-N98 VanDerWaalsContact C-N 3.27Å; Y96-N98 PolarHBondContact O-N 2.9Å; N98-R101 PolarHBondContact OD1-NE 2.79Å; N98-R101 PolarHBondContact OD1-NH2 3.13Å
99L70.3Confident67.9Low132 Ų13266.1 Ų66.169%0.69137%0.374SS*.Hα-helixtrans-75.3-35.8176-176.164000112K95 Y96 A97K95-L99 PolarHBondContact O-N 3.35Å; Y96-L99 WeakPolarHBondContact O-CB 3.34Å; Y96-L99 PolarHBondContact O-N 3.34Å; A97-L99 VanDerWaalsContact C-N 3.32Å; A97-L99 PolarHBondContact O-N 2.94Å
100V71.6Confident66.6Low29 Ų2966.7 Ų66.718%0.17638%0.379CS..SBendtrans-91.82177.2-54.50000113.8T13 V52 Y54 Y96 A97 A102T13-V100 HydrophobicContact CG2-CG2 4.23Å; V52-V100 HydrophobicContact CG1-CG2 4.15Å; V52-V100 HydrophobicContact CG2-CG2 4.48Å; Y54-V100 WeakPolarHBondContact OH-CG2 3.32Å; Y96-V100 HydrophobicContact CD1-CG1 4.3Å; Y96-V100 HydrophobicContact CE1-CG1 3.77Å; Y96-V100 HydrophobicContact CE1-CG2 4.46Å; Y96-V100 HydrophobicContact CE2-CG1 4.44Å; Y96-V100 PolarHBondContact O-N 3.49Å; Y96-V100 VanDerWaalsContact O-N 3.09Å; A97-V100 WeakPolarHBondContact O-CG2 3.41Å; A97-V100 PolarHBondContact O-N 3.29Å; V100-A102 PolarHBondContact O-N 2.89Å
101R73.8Confident65.4Low67 Ų6765 Ų6525%0.25337%0.366SS..PPolyproline II helixtrans-63125.7-179.1-177.5155.864.6157.7-2.9110.6E46 S50 V52 A97 N98E46-R101 IonicContact OE2-CZ 2.74Å; E46-R101 IonicContact OE2-NH1 2.63Å; E46-R101 PolarHBondContact OE2-NH1 3.13Å; E46-R101 IonicContact OE2-NH2 2.71Å; S50-R101 WeakPolarHBondContact O-CD 3.46Å; S50-R101 WeakPolarHBondContact OG-CG 3.45Å; V52-R101 HydrophobicContact CG2-CB 4.06Å; V52-R101 HydrophobicContact CG2-CG 4.38Å; A97-R101 WeakPolarHBondContact O-CB 3.47Å; A97-R101 PolarHBondContact O-N 3.38Å; N98-R101 PolarHBondContact OD1-NE 2.79Å; N98-R101 PolarHBondContact OD1-NH2 3.13Å
102A68.5Low63.5Low8 Ų867.6 Ų67.67%0.06639%0.385CS..PPolyproline II helixtrans-67.2135.4-179.900000110.6N14 S50 V100 T106N14-A102 HydrophobicContact CB-CB 3.74Å; S50-A102 WeakPolarHBondContact CB-O 3.37Å; S50-A102 PolarHBondContact OG-N 2.91Å; S50-A102 PolarHBondContact OG-O 3.39Å; V100-A102 PolarHBondContact O-N 2.89Å; A102-T106 HydrophobicContact CB-CG2 4.3Å
103P67.6Low62.4Low15 Ų1569.3 Ų69.310%0.09739%0.388CS..PPolyproline II helixtrans-48.6149.5173.1-31.835.9000113.7N105 T106 G127P103-N105 PolarHBondContact O-N 3.17Å; P103-N105 VanDerWaalsContact O-N 3.11Å; P103-T106 VanDerWaalsContact CD-OG1 3.28Å; P103-T106 WeakPolarHBondContact CD-OG1 3.47Å; P103-T106 VanDerWaalsContact O-CB 3.31Å; P103-T106 WeakPolarHBondContact O-CB 3.47Å; P103-T106 PolarHBondContact O-N 2.97Å; P103-T106 PolarHBondContact O-OG1 3.36Å; P103-G127 VanDerWaalsContact CG-O 3.3Å; P103-G127 WeakPolarHBondContact CG-O 3.25Å
104P61.9Low61.5Low76 Ų7666.6 Ų66.649%0.49438%0.375SS..THydrogen-bonded Turntrans-62.3-22.9178.226.5-35.2000112.6
105N59.6Low60.1Low123 Ų12367.7 Ų67.766%0.65840%0.399SS*.THydrogen-bonded Turntrans-93.912.7175.9-65-10.5000113.4P103 A107P103-N105 PolarHBondContact O-N 3.17Å; P103-N105 VanDerWaalsContact O-N 3.11Å; N105-A107 PolarHBondContact O-N 3.12Å
106T59.1Low59.7Low24 Ų2465 Ų6515%0.14739%0.393CS..  trans-7177.7167.3-59.30000108.9N14 I80 A102 P103N14-T106 HydrophobicContact CB-CG2 4.41Å; N14-T106 PolarHBondContact ND2-O 3.23Å; N14-T106 PolarHBondContact OD1-O 2.92Å; I80-T106 HydrophobicContact CD1-CG2 4.5Å; A102-T106 HydrophobicContact CB-CG2 4.3Å; P103-T106 VanDerWaalsContact CD-OG1 3.28Å; P103-T106 WeakPolarHBondContact CD-OG1 3.47Å; P103-T106 VanDerWaalsContact O-CB 3.31Å; P103-T106 WeakPolarHBondContact O-CB 3.47Å; P103-T106 PolarHBondContact O-N 2.97Å; P103-T106 PolarHBondContact O-OG1 3.36Å
107A46.2Very low59.5Low74 Ų7460.9 Ų60.961%0.61238%0.376SS*.  trans-54.3152.3178.700000111N105 G109N105-A107 PolarHBondContact O-N 3.12Å; A107-G109 VanDerWaalsContact C-N 3.28Å; A107-G109 WeakPolarHBondContact O-CA 3.28Å; A107-G109 PolarHBondContact O-N 3.1Å
108A36.4Very low59.3Low63 Ų6361.9 Ų61.952%0.52138%0.383SS..SBendtrans-58.896.3164.800000108.3
109G40Very low58.8Low50 Ų5063.9 Ų63.952%0.51539%0.393SS..  trans-164.256.2-148.100000110.8A107 L111A107-G109 VanDerWaalsContact C-N 3.28Å; A107-G109 WeakPolarHBondContact O-CA 3.28Å; A107-G109 PolarHBondContact O-N 3.1Å; G109-L111 PolarHBondContact O-N 2.97Å
110V40.6Very low58.7Low63 Ų6359.4 Ų59.438%0.38237%0.37SS..  trans-51111.2161.9-179.80000107.4N71 P112 R113N71-V110 HydrophobicContact CB-CG2 3.69Å; V110-P112 WeakPolarHBondContact O-CD 3.39Å; V110-R113 HydrophobicContact CG1-CG 4.06Å
111L51.1Low59Low52 Ų5258 Ų5827%0.27236%0.362SS..  trans-52.7114162.9-78.6159.1000106.2G109 R113 I134 I161G109-L111 PolarHBondContact O-N 2.97Å; L111-R113 PolarHBondContact O-N 3.03Å; L111-I134 HydrophobicContact CD1-CD1 4.09Å; L111-I161 HydrophobicContact CD1-CD1 3.68Å; L111-I161 HydrophobicContact CD2-CD1 4.11Å; L111-I161 HydrophobicContact CG-CD1 4.4Å
112P41.5Very low59Low82 Ų8255.2 Ų55.253%0.53235%0.352SS..  trans-62110.4-153.419.4-33.3000111.3V110V110-P112 WeakPolarHBondContact O-CD 3.39Å
113R55.5Low59.5Low62 Ų6256.1 Ų56.123%0.23436%0.357CS..  trans-70.9137.2-177.5-68-179.1-176.3-116-5.2110.5V110 L111 W117 P118 V121 E162V110-R113 HydrophobicContact CG1-CG 4.06Å; L111-R113 PolarHBondContact O-N 3.03Å; R113-W117 HydrophobicContact CB-CB 4.3Å; R113-W117 VanDerWaalsContact NH1-CD1 3.33Å; R113-P118 PolarHBondContact NH1-O 3.36Å; R113-P118 VanDerWaalsContact NH1-O 3.15Å; R113-V121 PolarHBondContact NH1-O 3.28Å; R113-V121 PolarHBondContact NH2-O 3.06Å; R113-E162 WeakPolarHBondContact CA-OE1 3.43Å
114T59.1Low59.6Low53 Ų5356.6 Ų56.633%0.32536%0.358SS..  trans-71.1154.5160.955.90000109.9D116 W117 E162 R166T114-D116 PolarHBondContact O-N 3.02Å; T114-W117 VanDerWaalsContact O-CB 3.27Å; T114-W117 WeakPolarHBondContact O-CB 3.44Å; T114-W117 PolarHBondContact O-N 3.06Å; T114-E162 VanDerWaalsContact CB-OE2 3.29Å; T114-E162 WeakPolarHBondContact CB-OE2 3.48Å; T114-E162 WeakPolarHBondContact CG2-OE2 3.28Å; T114-E162 PolarHBondContact N-OE1 3.36Å; T114-E162 PolarHBondContact N-OE2 3.28Å; T114-E162 PolarHBondContact OG1-OE2 3.09Å; T114-R166 PolarHBondContact OG1-NH2 2.85Å; T114-R166 VanDerWaalsContact OG1-NH2 3.16Å
115A51Low60.1Low108 Ų10855 Ų5589%0.89335%0.347SS*.THydrogen-bonded Turntrans-60.5-26.517800000112.5W117A115-W117 VanDerWaalsContact C-N 3.26Å; A115-W117 PolarHBondContact O-N 3.21Å
116D67.8Low60.6Low117 Ų11751.3 Ų51.363%0.62633%0.329SS*.THydrogen-bonded Turntrans-83.14.1177.9-39-59.2000113.3T114 R166T114-D116 PolarHBondContact O-N 3.02Å; D116-R166 PolarHBondContact O-NH2 3.38Å
117W73.4Confident60.9Low14 Ų1451.8 Ų51.85%0.05334%0.338CS..SBendtrans-87.4120.4-178.2-167.6-87.2000112.1R113 T114 A115 L119 V121 E162 R165 R166 Q213R113-W117 HydrophobicContact CB-CB 4.3Å; R113-W117 VanDerWaalsContact NH1-CD1 3.33Å; T114-W117 VanDerWaalsContact O-CB 3.27Å; T114-W117 WeakPolarHBondContact O-CB 3.44Å; T114-W117 PolarHBondContact O-N 3.06Å; A115-W117 VanDerWaalsContact C-N 3.26Å; A115-W117 PolarHBondContact O-N 3.21Å; W117-L119 PolarHBondContact O-N 3.22Å; W117-V121 HydrophobicContact CZ2-CB 4.04Å; W117-V121 HydrophobicContact CZ2-CG1 3.5Å; W117-V121 VanDerWaalsContact CZ2-CG1 3.5Å; W117-V121 PolarHBondContact NE1-O 2.98Å; W117-E162 VanDerWaalsContact CB-OE1 3.26Å; W117-E162 WeakPolarHBondContact CB-OE1 3.41Å; W117-E162 HydrophobicContact CD2-CB 4.41Å; W117-E162 HydrophobicContact CD2-CG 3.77Å; W117-E162 HydrophobicContact CE3-CB 3.48Å; W117-E162 VanDerWaalsContact CE3-CB 3.48Å; W117-E162 HydrophobicContact CE3-CG 3.31Å; W117-E162 HydrophobicContact CG-CG 4.44Å; W117-E162 VanDerWaalsContact CG-OE1 3.3Å; W117-E162 HydrophobicContact CH2-CB 4.32Å; W117-E162 HydrophobicContact CH2-CG 4.44Å; W117-E162 HydrophobicContact CZ3-CB 3.45Å; W117-E162 VanDerWaalsContact CZ3-CB 3.45Å; W117-E162 HydrophobicContact CZ3-CG 3.72Å; W117-E162 WeakPolarHBondContact CZ3-O 3.35Å; W117-R165 HydrophobicContact CH2-CB 3.65Å; W117-R165 HydrophobicContact CZ2-CB 4.37Å; W117-R166 HydrophobicContact CZ3-CG 4.02Å; W117-Q213 HydrophobicContact CH2-CB 4.14Å; W117-Q213 HydrophobicContact CH2-CG 3.65Å; W117-Q213 HydrophobicContact CZ2-CG 3.96Å; W117-Q213 HydrophobicContact CZ3-CB 4.11Å; W117-Q213 HydrophobicContact CZ3-CG 4.14Å
118P73.4Confident61.8Low24 Ų2457.1 Ų57.116%0.15634%0.343CS..  trans-60.9137.9-177.5-22.232.8000113.1R113 D120 V121 Q213 P214R113-P118 PolarHBondContact NH1-O 3.36Å; R113-P118 VanDerWaalsContact NH1-O 3.15Å; P118-D120 VanDerWaalsContact C-N 3.29Å; P118-D120 WeakPolarHBondContact CB-OD1 3.26Å; P118-D120 PolarHBondContact O-N 2.76Å; P118-V121 HydrophobicContact CB-CB 4.49Å; P118-V121 HydrophobicContact CB-CG2 4.03Å; P118-V121 HydrophobicContact CG-CG2 4.34Å; P118-V121 PolarHBondContact O-N 3.33Å; P118-Q213 HydrophobicContact CG-CB 3.86Å; P118-Q213 HydrophobicContact CG-CG 4.36Å; P118-P214 HydrophobicContact CG-CG 3.96Å
119L65.7Low63Low106 Ų10658.5 Ų58.556%0.55535%0.347SS*.THydrogen-bonded Turntrans-67.9-30.7-177.2-60.7179.1000112.6W117 V121 I122W117-L119 PolarHBondContact O-N 3.22Å; L119-V121 VanDerWaalsContact C-N 3.31Å; L119-I122 WeakPolarHBondContact O-CG1 3.27Å
120D69.6Low64.4Low38 Ų3859.9 Ų59.920%0.20336%0.361CS..THydrogen-bonded Turntrans-76.1-13.2176.358-24.1000113.8P118 P139 R140P118-D120 VanDerWaalsContact C-N 3.29Å; P118-D120 WeakPolarHBondContact CB-OD1 3.26Å; P118-D120 PolarHBondContact O-N 2.76Å; D120-P139 WeakPolarHBondContact O-CD 3.39Å; D120-R140 IonicContact OD1-NH2 3.25Å; D120-R140 IonicContact OD2-CZ 2.91Å; D120-R140 IonicContact OD2-NE 3Å; D120-R140 PolarHBondContact OD2-NE 2.89Å; D120-R140 IonicContact OD2-NH2 2.72Å; D120-R140 PolarHBondContact OD2-NH2 3.4Å
121V77.7Confident66.1Low0 Ų063.4 Ų63.40%037%0.373CS..  trans-94.6113.8171.3-1720000109.8R113 W117 P118 L119 T136 M137 E138 Q213R113-V121 PolarHBondContact NH1-O 3.28Å; R113-V121 PolarHBondContact NH2-O 3.06Å; W117-V121 HydrophobicContact CZ2-CB 4.04Å; W117-V121 HydrophobicContact CZ2-CG1 3.5Å; W117-V121 VanDerWaalsContact CZ2-CG1 3.5Å; W117-V121 PolarHBondContact NE1-O 2.98Å; P118-V121 HydrophobicContact CB-CB 4.49Å; P118-V121 HydrophobicContact CB-CG2 4.03Å; P118-V121 HydrophobicContact CG-CG2 4.34Å; P118-V121 PolarHBondContact O-N 3.33Å; L119-V121 VanDerWaalsContact C-N 3.31Å; V121-T136 HydrophobicContact CG1-CG2 3.73Å; V121-M137 CarbonylContact C-O 3.59Å; V121-M137 WeakPolarHBondContact CA-O 3.07Å; V121-E138 HydrophobicContact CG1-CB 4.25Å; V121-E138 HydrophobicContact CG2-CB 3.98Å; V121-E138 HydrophobicContact CG2-CG 3.71Å; V121-Q213 HydrophobicContact CG1-CG 4.46Å; V121-Q213 HydrophobicContact CG2-CG 4.12Å
122I74.1Confident67.1Low8 Ų864 Ų644%0.04137%0.374CS..EExtended strand (participates in β ladder)trans-125.8108.2-164.3-60168000110.3N70 L82 L119 T136 M137N70-I122 WeakPolarHBondContact ND2-CD1 3.15Å; N70-I122 WeakPolarHBondContact ND2-CG1 3.27Å; L82-I122 HydrophobicContact CD2-CB 4.18Å; L82-I122 HydrophobicContact CD2-CD1 3.6Å; L82-I122 HydrophobicContact CD2-CG1 4.47Å; L82-I122 HydrophobicContact CD2-CG2 4.13Å; L119-I122 WeakPolarHBondContact O-CG1 3.27Å; I122-T136 CarbonylContact O-C 3.52Å; I122-T136 WeakPolarHBondContact O-CA 3.4Å; I122-M137 PolarHBondContact N-O 2.58Å; I122-M137 PolarHBondContact O-N 3.16Å
123S77.7Confident69Low27 Ų2762.4 Ų62.419%0.18936%0.363CS..EExtended strand (participates in β ladder)trans-90.3126.4170.4-65.10000110.4H135 T136 I161S123-H135 CarbonylContact C-O 3.57Å; S123-H135 WeakPolarHBondContact CA-O 3.29Å; S123-T136 WeakPolarHBondContact OG-CG2 3.29Å; S123-T136 PolarHBondContact OG-OG1 3.09Å; S123-I161 WeakPolarHBondContact OG-CG2 3.18Å
124M70.9Confident70.2Confident24 Ų2459.5 Ų59.512%0.11835%0.352CS..EExtended strand (participates in β ladder)trans-138.3143.2-178.165.3-172.3-62.800111.6I80 L82 V126 I134 H135 M137I80-M124 HydrophobicContact CD1-CE 4.33Å; I80-M124 HydrophobicContact CG2-CE 4.19Å; L82-M124 HydrophobicContact CD1-CE 4.39Å; L82-M124 HydrophobicContact CD1-SD 3.89Å; M124-V126 HydrophobicContact CE-CG2 4.29Å; M124-V126 HydrophobicContact CG-CG2 3.87Å; M124-V126 HydrophobicContact SD-CG2 4.43Å; M124-I134 WeakPolarHBondContact O-CA 3.31Å; M124-H135 PolarHBondContact N-O 3.06Å; M124-H135 PolarHBondContact O-N 2.97Å; M124-M137 HydrophobicContact SD-SD 4.4Å
125V72.1Confident71.3Confident42 Ų4260.6 Ų60.626%0.25535%0.354SS..EExtended strand (participates in β ladder)trans-82.2124.2174.2-175.60000109.2Q132 V133 I134 A154V125-Q132 HydrophobicContact CG1-CB 3.8Å; V125-Q132 HydrophobicContact CG1-CG 4.11Å; V125-V133 WeakPolarHBondContact CA-O 3.2Å; V125-I134 HydrophobicContact CG2-CD1 4.31Å; V125-I134 HydrophobicContact CG2-CG1 3.79Å; V125-A154 HydrophobicContact CG1-CB 3.87Å
126V69.3Low72.9Confident47 Ų4756 Ų5629%0.28531%0.314SS..EExtended strand (participates in β ladder)trans-125.7152.4-179.6-1690000108.8M124 Q132 V133 H135M124-V126 HydrophobicContact CE-CG2 4.29Å; M124-V126 HydrophobicContact CG-CG2 3.87Å; M124-V126 HydrophobicContact SD-CG2 4.43Å; V126-Q132 WeakPolarHBondContact O-CA 3.46Å; V126-V133 PolarHBondContact N-O 3.22Å; V126-V133 PolarHBondContact O-N 2.93Å; V126-H135 HydrophobicContact CG2-CB 4.4Å
127G66.1Low73.5Confident33 Ų3353.8 Ų53.834%0.3430%0.301SS..SBendtrans109.9174.5175.300000114.2P103P103-G127 VanDerWaalsContact CG-O 3.3Å; P103-G127 WeakPolarHBondContact CG-O 3.25Å
128R65.6Low73.9Confident187 Ų18753.3 Ų53.371%0.70630%0.299SS*.SBendtrans-80.3151.8-177.1-66.2175.1174.3-178.7-1.6110.9G130 E131 Q132R128-G130 PolarHBondContact O-N 3.4Å; R128-E131 CarbonylContact O-C 3.55Å; R128-E131 WeakPolarHBondContact O-CA 3.37Å; R128-E131 PolarHBondContact O-N 2.89Å; R128-Q132 WeakPolarHBondContact O-CG 3.46Å; R128-Q132 PolarHBondContact O-N 3.1Å
129P61.4Low74.1Confident92 Ų9253.8 Ų53.860%0.59730%0.302SS*.THydrogen-bonded Turntrans-54.7110174.3-26.335.7000112.2
130G69.4Low74.9Confident79 Ų7954.2 Ų54.281%0.81430%0.296SS*.THydrogen-bonded Turntrans117.1-30.9-172.100000113.6R128R128-G130 PolarHBondContact O-N 3.4Å
131E76.3Confident75.6Confident136 Ų13652.4 Ų52.464%0.63629%0.287SS*.SBendtrans-116.526.6-178.1-59.8171.8151.500111.1R128R128-E131 CarbonylContact O-C 3.55Å; R128-E131 WeakPolarHBondContact O-CA 3.37Å; R128-E131 PolarHBondContact O-N 2.89Å
132Q71.3Confident75.8Confident64 Ų6455.1 Ų55.130%0.29931%0.306SS..  trans-76.9130.3-175.5-70.2-179.2104.100111.5V125 V126 R128 A154V125-Q132 HydrophobicContact CG1-CB 3.8Å; V125-Q132 HydrophobicContact CG1-CG 4.11Å; V126-Q132 WeakPolarHBondContact O-CA 3.46Å; R128-Q132 WeakPolarHBondContact O-CG 3.46Å; R128-Q132 PolarHBondContact O-N 3.1Å; Q132-A154 HydrophobicContact CB-CB 3.48Å; Q132-A154 VanDerWaalsContact CB-CB 3.48Å; Q132-A154 WeakPolarHBondContact O-CB 3.23Å; Q132-A154 PolarHBondContact O-N 3.48Å
133V80.8Confident76.1Confident49 Ų4959.7 Ų59.730%0.29734%0.338SS..EExtended strand (participates in β ladder)trans-130151.6175.6-68.30000111V125 V126 P151 L152V125-V133 WeakPolarHBondContact CA-O 3.2Å; V126-V133 PolarHBondContact N-O 3.22Å; V126-V133 PolarHBondContact O-N 2.93Å; V133-P151 HydrophobicContact CB-CB 4.16Å; V133-P151 HydrophobicContact CG2-CB 4.35Å; V133-L152 CarbonylContact C-O 3.57Å; V133-L152 WeakPolarHBondContact CA-O 3.4Å
134I80.7Confident76.6Confident1 Ų162.9 Ų62.91%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-94.8110.1175.1-68.3167.2000108.8L111 M124 V125 P151 L152 I161L111-I134 HydrophobicContact CD1-CD1 4.09Å; M124-I134 WeakPolarHBondContact O-CA 3.31Å; V125-I134 HydrophobicContact CG2-CD1 4.31Å; V125-I134 HydrophobicContact CG2-CG1 3.79Å; I134-P151 WeakPolarHBondContact O-CA 3.44Å; I134-L152 HydrophobicContact CB-CB 4.31Å; I134-L152 PolarHBondContact N-O 2.78Å; I134-L152 PolarHBondContact O-N 3.28Å; I134-I161 HydrophobicContact CD1-CD1 3.52Å; I134-I161 HydrophobicContact CD1-CG1 4.47Å; I134-I161 HydrophobicContact CG2-CD1 4.22Å
135H82.6Confident77.3Confident77 Ų7766.2 Ų66.236%0.35638%0.384SS..EExtended strand (participates in β ladder)trans-85.4143.9163.2-77.3-88.1000109.3S123 M124 V126S123-H135 CarbonylContact C-O 3.57Å; S123-H135 WeakPolarHBondContact CA-O 3.29Å; M124-H135 PolarHBondContact N-O 3.06Å; M124-H135 PolarHBondContact O-N 2.97Å; V126-H135 HydrophobicContact CG2-CB 4.4Å
136T84.4Confident78.1Confident10 Ų1066.7 Ų66.76%0.06138%0.383CS..EExtended strand (participates in β ladder)trans-119.1122170.9-56.10000108V121 I122 S123 Y149 R165V121-T136 HydrophobicContact CG1-CG2 3.73Å; I122-T136 CarbonylContact O-C 3.52Å; I122-T136 WeakPolarHBondContact O-CA 3.4Å; S123-T136 WeakPolarHBondContact OG-CG2 3.29Å; S123-T136 PolarHBondContact OG-OG1 3.09Å; T136-Y149 HydrophobicContact CG2-CD2 3.73Å; T136-Y149 HydrophobicContact CG2-CE2 4.13Å; T136-Y149 HydrophobicContact CG2-CG 4.31Å; T136-Y149 WeakPolarHBondContact O-CD2 3.44Å; T136-R165 VanDerWaalsContact CB-NE 3.31Å; T136-R165 HydrophobicContact CG2-CG 4.33Å; T136-R165 PolarHBondContact OG1-NE 3.27Å; T136-R165 PolarHBondContact OG1-NH2 2.91Å; T136-R165 VanDerWaalsContact OG1-NH2 3.09Å
137M80.7Confident79Confident71 Ų7167.5 Ų67.535%0.3539%0.389SS..EExtended strand (participates in β ladder)trans-102.1133.1176.9-60-17573.400109.2L82 V121 I122 M124L82-M137 HydrophobicContact CD1-SD 4.05Å; L82-M137 HydrophobicContact CD2-SD 3.94Å; V121-M137 CarbonylContact C-O 3.59Å; V121-M137 WeakPolarHBondContact CA-O 3.07Å; I122-M137 PolarHBondContact N-O 2.58Å; I122-M137 PolarHBondContact O-N 3.16Å; M124-M137 HydrophobicContact SD-SD 4.4Å
138E83.2Confident80.1Confident4 Ų471.3 Ų71.32%0.01940%0.401CS..  trans-134.9104.7170.8173.5162.2-170.300107.1V121 R140 L141 Y149 I217V121-E138 HydrophobicContact CG1-CB 4.25Å; V121-E138 HydrophobicContact CG2-CB 3.98Å; V121-E138 HydrophobicContact CG2-CG 3.71Å; E138-R140 HydrophobicContact CG-CB 4.23Å; E138-R140 PolarHBondContact O-N 2.8Å; E138-L141 HydrophobicContact CB-CD1 4.2Å; E138-L141 HydrophobicContact CB-CG 4.2Å; E138-L141 HydrophobicContact CG-CD1 4.46Å; E138-L141 HydrophobicContact CG-CG 4.03Å; E138-L141 PolarHBondContact O-N 2.86Å; E138-Y149 HydrophobicContact CB-CD2 4.46Å; E138-Y149 HydrophobicContact CB-CE2 3.74Å; E138-Y149 VanDerWaalsContact OE2-CE2 3.25Å; E138-Y149 WeakPolarHBondContact OE2-CE2 3.43Å; E138-Y149 VanDerWaalsContact OE2-CZ 3.32Å; E138-Y149 PolarHBondContact OE2-OH 2.78Å; E138-I217 WeakPolarHBondContact OE1-CD1 3.15Å
139P76.4Confident81.3Confident34 Ų3462.9 Ų62.922%0.22137%0.37CS..Hα-helixtrans-53.5-34.1-174-29.435.6000113.2P83 D120 L141 S142 S143P83-P139 HydrophobicContact CG-CB 4.5Å; P83-P139 HydrophobicContact CG-CG 3.89Å; D120-P139 WeakPolarHBondContact O-CD 3.39Å; P139-L141 VanDerWaalsContact C-N 3.35Å; P139-L141 PolarHBondContact O-N 3.15Å; P139-S142 WeakPolarHBondContact O-CB 3.26Å; P139-S142 PolarHBondContact O-N 3.21Å; P139-S143 PolarHBondContact O-N 3.03Å; P139-S143 PolarHBondContact O-OG 2.85Å; P139-S143 VanDerWaalsContact O-OG 3.1Å
140R82.6Confident82.8Confident115 Ų11560.1 Ų60.143%0.43435%0.352SS..Hα-helixtrans-63.6-33.9-179.6-53.2-177.9-164.3-152.27.7113.5D120 E138 L144 I217D120-R140 IonicContact OD1-NH2 3.25Å; D120-R140 IonicContact OD2-CZ 2.91Å; D120-R140 IonicContact OD2-NE 3Å; D120-R140 PolarHBondContact OD2-NE 2.89Å; D120-R140 IonicContact OD2-NH2 2.72Å; D120-R140 PolarHBondContact OD2-NH2 3.4Å; E138-R140 HydrophobicContact CG-CB 4.23Å; E138-R140 PolarHBondContact O-N 2.8Å; R140-L144 WeakPolarHBondContact O-CB 3.4Å; R140-L144 WeakPolarHBondContact O-CD1 3.27Å; R140-L144 VanDerWaalsContact O-CG 3.28Å; R140-L144 WeakPolarHBondContact O-CG 3.31Å; R140-L144 PolarHBondContact O-N 3.18Å; R140-I217 HydrophobicContact CB-CD1 3.58Å; R140-I217 HydrophobicContact CG-CD1 4.22Å
141L85.4Confident83.7Confident1 Ų159.8 Ų59.81%0.00534%0.335CS..Hα-helixtrans-68.8-45.2174.8-67.2180000110.4E138 P139 L144 A145 F146 Y149 I217E138-L141 HydrophobicContact CB-CD1 4.2Å; E138-L141 HydrophobicContact CB-CG 4.2Å; E138-L141 HydrophobicContact CG-CD1 4.46Å; E138-L141 HydrophobicContact CG-CG 4.03Å; E138-L141 PolarHBondContact O-N 2.86Å; P139-L141 VanDerWaalsContact C-N 3.35Å; P139-L141 PolarHBondContact O-N 3.15Å; L141-L144 CarbonylContact O-C 3.58Å; L141-L144 PolarHBondContact O-N 2.86Å; L141-A145 PolarHBondContact O-N 3.41Å; L141-A145 VanDerWaalsContact O-N 3.16Å; L141-F146 HydrophobicContact CB-CB 4.41Å; L141-F146 HydrophobicContact CD2-CB 3.87Å; L141-F146 HydrophobicContact CD2-CD2 4.1Å; L141-F146 HydrophobicContact CD2-CG 4.49Å; L141-F146 PolarHBondContact O-N 2.87Å; L141-Y149 HydrophobicContact CD1-CD2 3.98Å; L141-Y149 HydrophobicContact CD1-CE1 4.3Å; L141-Y149 HydrophobicContact CD1-CE2 3.41Å; L141-Y149 VanDerWaalsContact CD1-CE2 3.41Å; L141-I217 HydrophobicContact CD2-CG1 4.04Å
142S80.1Confident84.3Confident57 Ų5753.5 Ų53.540%0.39931%0.306SS..Hα-helixtrans-58.8-48.2175.5-50.80000111.9P139 L144 A145P139-S142 WeakPolarHBondContact O-CB 3.26Å; P139-S142 PolarHBondContact O-N 3.21Å; S142-L144 PolarHBondContact O-N 2.82Å; S142-A145 PolarHBondContact O-N 2.98Å; S142-A145 VanDerWaalsContact O-N 3.15Å
143S82Confident84.9Confident103 Ų10352.6 Ų52.672%0.7231%0.305SS*.Hα-helixtrans-65.6-22.1180-59.20000114.3P139P139-S143 PolarHBondContact O-N 3.03Å; P139-S143 PolarHBondContact O-OG 2.85Å; P139-S143 VanDerWaalsContact O-OG 3.1Å
144L86.7Confident84.7Confident95 Ų9551.9 Ų51.950%0.49731%0.305SS..THydrogen-bonded Turntrans-101.98.3177.8-65.1172.2000112.8R140 L141 S142 F146 I217R140-L144 WeakPolarHBondContact O-CB 3.4Å; R140-L144 WeakPolarHBondContact O-CD1 3.27Å; R140-L144 VanDerWaalsContact O-CG 3.28Å; R140-L144 WeakPolarHBondContact O-CG 3.31Å; R140-L144 PolarHBondContact O-N 3.18Å; L141-L144 CarbonylContact O-C 3.58Å; L141-L144 PolarHBondContact O-N 2.86Å; S142-L144 PolarHBondContact O-N 2.82Å; L144-F146 HydrophobicContact CB-CD2 3.74Å; L144-F146 HydrophobicContact CB-CE2 3.94Å; L144-F146 HydrophobicContact CB-CG 4.24Å; L144-F146 HydrophobicContact CD1-CD2 4.18Å; L144-F146 HydrophobicContact CD1-CE2 3.93Å; L144-F146 PolarHBondContact O-N 2.97Å; L144-F146 VanDerWaalsContact O-N 3.11Å; L144-I217 HydrophobicContact CD1-CG2 3.46Å; L144-I217 VanDerWaalsContact CD1-CG2 3.46Å
145A86.1Confident84.6Confident94 Ų9457.7 Ų57.778%0.77734%0.34SS*.THydrogen-bonded Turntrans52.725.9-17500000114.4L141 S142L141-A145 PolarHBondContact O-N 3.41Å; L141-A145 VanDerWaalsContact O-N 3.16Å; S142-A145 PolarHBondContact O-N 2.98Å; S142-A145 VanDerWaalsContact O-N 3.15Å
146F89.5Confident84.5Confident52 Ų5254.4 Ų54.423%0.22833%0.326CS..PPolyproline II helixtrans-79.3154.8175.5-71.5-34.8000111.3L141 L144 L148 I217 F220L141-F146 HydrophobicContact CB-CB 4.41Å; L141-F146 HydrophobicContact CD2-CB 3.87Å; L141-F146 HydrophobicContact CD2-CD2 4.1Å; L141-F146 HydrophobicContact CD2-CG 4.49Å; L141-F146 PolarHBondContact O-N 2.87Å; L144-F146 HydrophobicContact CB-CD2 3.74Å; L144-F146 HydrophobicContact CB-CE2 3.94Å; L144-F146 HydrophobicContact CB-CG 4.24Å; L144-F146 HydrophobicContact CD1-CD2 4.18Å; L144-F146 HydrophobicContact CD1-CE2 3.93Å; L144-F146 PolarHBondContact O-N 2.97Å; L144-F146 VanDerWaalsContact O-N 3.11Å; F146-L148 PolarHBondContact O-N 2.84Å; F146-I217 HydrophobicContact CD2-CG2 4.23Å; F146-I217 HydrophobicContact CE2-CG2 3.84Å; F146-F220 HydrophobicContact CB-CB 4.46Å; F146-F220 HydrophobicContact CD1-CB 3.91Å; F146-F220 HydrophobicContact CD2-CB 3.87Å; F146-F220 HydrophobicContact CE1-CB 4.01Å; F146-F220 HydrophobicContact CE2-CB 3.97Å; F146-F220 HydrophobicContact CG-CB 3.84Å; F146-F220 HydrophobicContact CG-CG 4.42Å; F146-F220 HydrophobicContact CZ-CB 4.04Å
147P88.3Confident84.2Confident63 Ų6360 Ų6041%0.40936%0.355SS..PPolyproline II helixtrans-51.3134.5178.5-29.237.1000112.5F220 H236P147-F220 HydrophobicContact CB-CE1 4.18Å; P147-F220 HydrophobicContact CG-CD1 4.2Å; P147-F220 HydrophobicContact CG-CE1 3.77Å; P147-H236 PolarHBondContact O-NE2 3.33Å
148L89.1Confident84Confident113 Ų11356.9 Ų56.959%0.59234%0.341SS*.PPolyproline II helixtrans-76.9158.3176-60.2-177.9000111.2F146 H236F146-L148 PolarHBondContact O-N 2.84Å; L148-H236 PolarHBondContact O-CD2 2.75Å
149Y91.3Very high83.9Confident11 Ų1159.6 Ų59.64%0.04336%0.361CS..PPolyproline II helixtrans-66.6129-179.3-72.8-64.6000112.5T136 E138 L141 R165 Q213 H236T136-Y149 HydrophobicContact CG2-CD2 3.73Å; T136-Y149 HydrophobicContact CG2-CE2 4.13Å; T136-Y149 HydrophobicContact CG2-CG 4.31Å; T136-Y149 WeakPolarHBondContact O-CD2 3.44Å; E138-Y149 HydrophobicContact CB-CD2 4.46Å; E138-Y149 HydrophobicContact CB-CE2 3.74Å; E138-Y149 VanDerWaalsContact OE2-CE2 3.25Å; E138-Y149 WeakPolarHBondContact OE2-CE2 3.43Å; E138-Y149 VanDerWaalsContact OE2-CZ 3.32Å; E138-Y149 PolarHBondContact OE2-OH 2.78Å; L141-Y149 HydrophobicContact CD1-CD2 3.98Å; L141-Y149 HydrophobicContact CD1-CE1 4.3Å; L141-Y149 HydrophobicContact CD1-CE2 3.41Å; L141-Y149 VanDerWaalsContact CD1-CE2 3.41Å; Y149-R165 HydrophobicContact CE1-CB 4.39Å; Y149-Q213 PolarHBondContact OH-NE2 2.82Å; Y149-H236 HydrophobicContact CD1-CB 4.39Å; Y149-H236 AromaticContact CD1-CD2 3.97Å; Y149-H236 AromaticContact CD1-CE1 3.48Å; Y149-H236 VanDerWaalsContact CD1-CE1 3.48Å; Y149-H236 WeakPolarHBondContact CD1-CE1 3.5Å; Y149-H236 AromaticContact CD1-CG 3.7Å; Y149-H236 AromaticContact CD1-ND1 3.4Å; Y149-H236 WeakPolarHBondContact CD1-ND1 3.3Å; Y149-H236 AromaticContact CD1-NE2 3.84Å; Y149-H236 AromaticContact CE1-CE1 3.14Å; Y149-H236 WeakPolarHBondContact CE1-CE1 3.33Å; Y149-H236 AromaticContact CE1-CG 3.96Å; Y149-H236 AromaticContact CE1-ND1 3.15Å; Y149-H236 WeakPolarHBondContact CE1-ND1 3.44Å; Y149-H236 AromaticContact CE1-NE2 3.93Å; Y149-H236 AromaticContact CZ-CE1 3.72Å
150P91.5Very high84.3Confident34 Ų3460 Ų6022%0.22136%0.358CS..PPolyproline II helixtrans-65143.6175.325.9-33.8000111.3R165 H236 N238P150-R165 VanDerWaalsContact O-CZ 3.26Å; P150-R165 PolarHBondContact O-NH1 2.64Å; P150-R165 PolarHBondContact O-NH2 3.36Å; P150-H236 HydrophobicContact CG-CB 4.1Å; P150-N238 WeakPolarHBondContact CB-OD1 3.43Å; P150-N238 WeakPolarHBondContact CG-OD1 3.07Å
151P88.9Confident84.5Confident72 Ų7254.6 Ų54.647%0.46834%0.337SS..PPolyproline II helixtrans-65.2140.2-179.427.2-34.1000111.5V133 I134V133-P151 HydrophobicContact CB-CB 4.16Å; V133-P151 HydrophobicContact CG2-CB 4.35Å; I134-P151 WeakPolarHBondContact O-CA 3.44Å
152L88.3Confident84.6Confident4 Ų455.2 Ų55.22%0.02134%0.34CS..EExtended strand (participates in β ladder)trans-107.4157.3177.4-61.6173.3000111V133 I134 I161 I164V133-L152 CarbonylContact C-O 3.57Å; V133-L152 WeakPolarHBondContact CA-O 3.4Å; I134-L152 HydrophobicContact CB-CB 4.31Å; I134-L152 PolarHBondContact N-O 2.78Å; I134-L152 PolarHBondContact O-N 3.28Å; L152-I161 HydrophobicContact CD1-CB 4.5Å; L152-I161 HydrophobicContact CD1-CG1 4.19Å; L152-I161 HydrophobicContact CD1-CG2 4.08Å; L152-I164 HydrophobicContact CD1-CB 4.36Å; L152-I164 HydrophobicContact CD1-CD1 3.92Å; L152-I164 HydrophobicContact CD1-CG2 3.95Å; L152-I164 HydrophobicContact CD2-CD1 4.35Å; L152-I164 HydrophobicContact CD2-CG2 4.1Å
153P84.9Confident85Confident44 Ų4454.4 Ų54.429%0.28633%0.331SS..EExtended strand (participates in β ladder)trans-60.2138.3173.4-22.834.3000111.8T155 T156P153-T155 PolarHBondContact O-N 3.01Å; P153-T156 WeakPolarHBondContact O-CB 3.28Å; P153-T156 PolarHBondContact O-N 2.93Å; P153-T156 PolarHBondContact O-OG1 3.3Å
154A77Confident85.5Confident35 Ų3549.6 Ų49.629%0.28930%0.296SS..THydrogen-bonded Turntrans-66.2-2.6178.200000115.3V125 Q132 T156V125-A154 HydrophobicContact CG1-CB 3.87Å; Q132-A154 HydrophobicContact CB-CB 3.48Å; Q132-A154 VanDerWaalsContact CB-CB 3.48Å; Q132-A154 WeakPolarHBondContact O-CB 3.23Å; Q132-A154 PolarHBondContact O-N 3.48Å; A154-T156 VanDerWaalsContact C-N 3.34Å
155T78.3Confident85.8Confident122 Ų12245.1 Ų45.175%0.74827%0.273SS*.THydrogen-bonded Turntrans-84.7-217048.70000113.9P153P153-T155 PolarHBondContact O-N 3.01Å
156T80.5Confident86.1Confident9 Ų941.4 Ų41.46%0.05524%0.239CC..  trans-76.5127.5-176.6-44.90000111.5P153 A154 R160 I161 I164 L551P153-T156 WeakPolarHBondContact O-CB 3.28Å; P153-T156 PolarHBondContact O-N 2.93Å; P153-T156 PolarHBondContact O-OG1 3.3Å; A154-T156 VanDerWaalsContact C-N 3.34Å; T156-R160 HydrophobicContact CG2-CB 4.35Å; T156-I161 HydrophobicContact CG2-CD1 4.42Å; T156-I161 HydrophobicContact CG2-CG1 3.58Å; T156-I161 WeakPolarHBondContact O-CD1 3.29Å; T156-I164 HydrophobicContact CG2-CD1 3.88Å; T156-L551 HydrophobicContact CG2-CD1 3.86Å
157D77.7Confident86.3Confident127 Ų12739 Ų3968%0.67923%0.228SC*.  trans-66.3145.9177.6-71.1-55.2000112.8S159 R160 I161D157-S159 PolarHBondContact O-N 2.86Å; D157-R160 HydrophobicContact CB-CB 4.38Å; D157-R160 WeakPolarHBondContact O-CA 3.33Å; D157-R160 WeakPolarHBondContact O-CB 3.06Å; D157-R160 PolarHBondContact O-N 2.79Å; D157-I161 WeakPolarHBondContact O-CG1 3.32Å; D157-I161 PolarHBondContact O-N 3.46Å
158G76Confident86.6Confident5 Ų536 Ų365%0.05221%0.209CC..Hα-helixtrans-51.2-55.9-175.300000114.4R160 I161 E162G158-R160 PolarHBondContact O-N 3.14Å; G158-I161 WeakPolarHBondContact O-CB 3.29Å; G158-I161 PolarHBondContact O-N 2.82Å; G158-I161 VanDerWaalsContact O-N 3.1Å; G158-E162 PolarHBondContact O-N 3.01Å
159S81.2Confident86.9Confident62 Ų6232 Ų3243%0.43419%0.188SC..Hα-helixtrans-63.4-25.9178.6-44.80000113.1D157 E163D157-S159 PolarHBondContact O-N 2.86Å; S159-E163 WeakPolarHBondContact O-CG 2.89Å; S159-E163 PolarHBondContact O-N 2.93Å; S159-E163 VanDerWaalsContact O-N 3.16Å
160R85.4Confident87.1Confident41 Ų4131.5 Ų31.516%0.15519%0.186CC..Hα-helixtrans-78.2-32.6175.9-157.861.5166.5146.16111.4T156 D157 G158 E162 E163 I164 A240 I241 D549T156-R160 HydrophobicContact CG2-CB 4.35Å; D157-R160 HydrophobicContact CB-CB 4.38Å; D157-R160 WeakPolarHBondContact O-CA 3.33Å; D157-R160 WeakPolarHBondContact O-CB 3.06Å; D157-R160 PolarHBondContact O-N 2.79Å; G158-R160 PolarHBondContact O-N 3.14Å; R160-E162 VanDerWaalsContact C-N 3.34Å; R160-E163 VanDerWaalsContact CD-OE2 3.27Å; R160-E163 WeakPolarHBondContact CD-OE2 3.03Å; R160-E163 IonicContact CZ-OE2 3.55Å; R160-E163 IonicContact NE-OE2 3.88Å; R160-E163 IonicContact NH1-OE2 3.41Å; R160-E163 PolarHBondContact NH1-OE2 2.54Å; R160-E163 PolarHBondContact O-N 3.39Å; R160-I164 HydrophobicContact CG-CD1 4.47Å; R160-I164 WeakPolarHBondContact O-CB 3.4Å; R160-I164 WeakPolarHBondContact O-CD1 3.46Å; R160-I164 WeakPolarHBondContact O-CG1 3.46Å; R160-I164 PolarHBondContact O-N 3.16Å; R160-A240 VanDerWaalsContact CZ-CB 3.41Å; R160-A240 PolarHBondContact NH2-O 2.93Å; R160-I241 PolarHBondContact NH1-O 2.7Å; R160-I241 PolarHBondContact NH2-O 2.85Å; R160-D549 IonicContact CZ-OD2 2.69Å; R160-D549 IonicContact NE-OD2 2.64Å; R160-D549 PolarHBondContact NE-OD2 2.97Å; R160-D549 VanDerWaalsContact NH2-CG 3.31Å; R160-D549 IonicContact NH2-OD2 3.71Å; R160-D549 PolarHBondContact NH2-OD2 3.4Å
161I86.6Confident87.1Confident2 Ų231.5 Ų31.51%0.0119%0.185CC..Hα-helixtrans-61.4-44.9168.6-60.6157.3000109.8L111 S123 I134 L152 T156 D157 G158 E163 I164 R165L111-I161 HydrophobicContact CD1-CD1 3.68Å; L111-I161 HydrophobicContact CD2-CD1 4.11Å; L111-I161 HydrophobicContact CG-CD1 4.4Å; S123-I161 WeakPolarHBondContact OG-CG2 3.18Å; I134-I161 HydrophobicContact CD1-CD1 3.52Å; I134-I161 HydrophobicContact CD1-CG1 4.47Å; I134-I161 HydrophobicContact CG2-CD1 4.22Å; L152-I161 HydrophobicContact CD1-CB 4.5Å; L152-I161 HydrophobicContact CD1-CG1 4.19Å; L152-I161 HydrophobicContact CD1-CG2 4.08Å; T156-I161 HydrophobicContact CG2-CD1 4.42Å; T156-I161 HydrophobicContact CG2-CG1 3.58Å; T156-I161 WeakPolarHBondContact O-CD1 3.29Å; D157-I161 WeakPolarHBondContact O-CG1 3.32Å; D157-I161 PolarHBondContact O-N 3.46Å; G158-I161 WeakPolarHBondContact O-CB 3.29Å; G158-I161 PolarHBondContact O-N 2.82Å; G158-I161 VanDerWaalsContact O-N 3.1Å; I161-E163 VanDerWaalsContact C-N 3.33Å; I161-E163 PolarHBondContact O-N 3.07Å; I161-I164 PolarHBondContact O-N 2.82Å; I161-R165 HydrophobicContact CG2-CG 3.92Å; I161-R165 VanDerWaalsContact O-CB 3.31Å; I161-R165 WeakPolarHBondContact O-CB 3.3Å; I161-R165 WeakPolarHBondContact O-CG 3.47Å; I161-R165 PolarHBondContact O-N 2.69Å
162E87.7Confident87.3Confident14 Ų1431.5 Ų31.57%0.06518%0.182CC..Hα-helixtrans-57.7-45.4176.5-63-162.9162.300112.3R113 T114 W117 G158 R160 R165 R166R113-E162 WeakPolarHBondContact CA-OE1 3.43Å; T114-E162 VanDerWaalsContact CB-OE2 3.29Å; T114-E162 WeakPolarHBondContact CB-OE2 3.48Å; T114-E162 WeakPolarHBondContact CG2-OE2 3.28Å; T114-E162 PolarHBondContact N-OE1 3.36Å; T114-E162 PolarHBondContact N-OE2 3.28Å; T114-E162 PolarHBondContact OG1-OE2 3.09Å; W117-E162 VanDerWaalsContact CB-OE1 3.26Å; W117-E162 WeakPolarHBondContact CB-OE1 3.41Å; W117-E162 HydrophobicContact CD2-CB 4.41Å; W117-E162 HydrophobicContact CD2-CG 3.77Å; W117-E162 HydrophobicContact CE3-CB 3.48Å; W117-E162 VanDerWaalsContact CE3-CB 3.48Å; W117-E162 HydrophobicContact CE3-CG 3.31Å; W117-E162 HydrophobicContact CG-CG 4.44Å; W117-E162 VanDerWaalsContact CG-OE1 3.3Å; W117-E162 HydrophobicContact CH2-CB 4.32Å; W117-E162 HydrophobicContact CH2-CG 4.44Å; W117-E162 HydrophobicContact CZ3-CB 3.45Å; W117-E162 VanDerWaalsContact CZ3-CB 3.45Å; W117-E162 HydrophobicContact CZ3-CG 3.72Å; W117-E162 WeakPolarHBondContact CZ3-O 3.35Å; G158-E162 PolarHBondContact O-N 3.01Å; R160-E162 VanDerWaalsContact C-N 3.34Å; E162-R165 PolarHBondContact O-N 3.39Å; E162-R166 WeakPolarHBondContact O-CB 3.25Å; E162-R166 WeakPolarHBondContact O-CG 3.41Å; E162-R166 PolarHBondContact O-N 3.4Å; E162-R166 IonicContact OE2-NH2 2.91Å
163E89.1Confident87.5Confident41 Ų4131.4 Ų31.419%0.19218%0.181CC..Hα-helixtrans-65.3-39.2175.5-67-178.2142.900112.6S159 R160 I161 R165 R166 T167 R193 A240 K243S159-E163 WeakPolarHBondContact O-CG 2.89Å; S159-E163 PolarHBondContact O-N 2.93Å; S159-E163 VanDerWaalsContact O-N 3.16Å; R160-E163 VanDerWaalsContact CD-OE2 3.27Å; R160-E163 WeakPolarHBondContact CD-OE2 3.03Å; R160-E163 IonicContact CZ-OE2 3.55Å; R160-E163 IonicContact NE-OE2 3.88Å; R160-E163 IonicContact NH1-OE2 3.41Å; R160-E163 PolarHBondContact NH1-OE2 2.54Å; R160-E163 PolarHBondContact O-N 3.39Å; I161-E163 VanDerWaalsContact C-N 3.33Å; I161-E163 PolarHBondContact O-N 3.07Å; E163-R165 VanDerWaalsContact C-N 3.32Å; E163-R165 PolarHBondContact O-N 2.89Å; E163-R166 PolarHBondContact O-N 2.93Å; E163-T167 WeakPolarHBondContact O-CB 3.47Å; E163-T167 PolarHBondContact O-N 3.45Å; E163-T167 PolarHBondContact O-OG1 3.44Å; E163-R193 IonicContact OE1-NH1 3.99Å; E163-A240 HydrophobicContact CB-CB 3.6Å; E163-K243 VanDerWaalsContact CD-NZ 3.3Å; E163-K243 IonicContact OE1-NZ 2.81Å; E163-K243 PolarHBondContact OE1-NZ 2.87Å
164I92.4Very high87.8Confident1 Ų130.7 Ų30.71%0.00518%0.175CC..Hα-helixtrans-61.8-45.7177-72.1160.6000109.4L152 T156 R160 I161 T167 S237 A240 L551L152-I164 HydrophobicContact CD1-CB 4.36Å; L152-I164 HydrophobicContact CD1-CD1 3.92Å; L152-I164 HydrophobicContact CD1-CG2 3.95Å; L152-I164 HydrophobicContact CD2-CD1 4.35Å; L152-I164 HydrophobicContact CD2-CG2 4.1Å; T156-I164 HydrophobicContact CG2-CD1 3.88Å; R160-I164 HydrophobicContact CG-CD1 4.47Å; R160-I164 WeakPolarHBondContact O-CB 3.4Å; R160-I164 WeakPolarHBondContact O-CD1 3.46Å; R160-I164 WeakPolarHBondContact O-CG1 3.46Å; R160-I164 PolarHBondContact O-N 3.16Å; I161-I164 PolarHBondContact O-N 2.82Å; I164-T167 WeakPolarHBondContact O-CB 3.31Å; I164-T167 PolarHBondContact O-N 3.1Å; I164-T167 VanDerWaalsContact O-O 3.1Å; I164-S237 WeakPolarHBondContact CG2-O 3.32Å; I164-A240 HydrophobicContact CB-CB 4.46Å; I164-A240 HydrophobicContact CG1-CB 3.72Å; I164-L551 HydrophobicContact CD1-CD1 4.35Å
165R92.6Very high88.3Confident2 Ų230.9 Ų30.91%0.00817%0.173CC..Hα-helixtrans-75.7-23.7-176.2-64.2-63.9-174.1-138.18.8113.1W117 T136 Y149 P150 I161 E162 E163 T167 Q213 I216W117-R165 HydrophobicContact CH2-CB 3.65Å; W117-R165 HydrophobicContact CZ2-CB 4.37Å; T136-R165 VanDerWaalsContact CB-NE 3.31Å; T136-R165 HydrophobicContact CG2-CG 4.33Å; T136-R165 PolarHBondContact OG1-NE 3.27Å; T136-R165 PolarHBondContact OG1-NH2 2.91Å; T136-R165 VanDerWaalsContact OG1-NH2 3.09Å; Y149-R165 HydrophobicContact CE1-CB 4.39Å; P150-R165 VanDerWaalsContact O-CZ 3.26Å; P150-R165 PolarHBondContact O-NH1 2.64Å; P150-R165 PolarHBondContact O-NH2 3.36Å; I161-R165 HydrophobicContact CG2-CG 3.92Å; I161-R165 VanDerWaalsContact O-CB 3.31Å; I161-R165 WeakPolarHBondContact O-CB 3.3Å; I161-R165 WeakPolarHBondContact O-CG 3.47Å; I161-R165 PolarHBondContact O-N 2.69Å; E162-R165 PolarHBondContact O-N 3.39Å; E163-R165 VanDerWaalsContact C-N 3.32Å; E163-R165 PolarHBondContact O-N 2.89Å; R165-T167 VanDerWaalsContact C-N 3.27Å; R165-Q213 PolarHBondContact O-NE2 3.33Å; R165-Q213 PolarHBondContact O-OE1 2.63Å; R165-Q213 VanDerWaalsContact O-OE1 3.1Å; R165-I216 VanDerWaalsContact O-CD1 3.29Å; R165-I216 WeakPolarHBondContact O-CD1 3.47Å; R165-I216 VanDerWaalsContact O-CG1 3.3Å; R165-I216 WeakPolarHBondContact O-CG1 3.17Å
166R91.9Very high88.8Confident15 Ų1533.5 Ų33.56%0.05717%0.174CC..THydrogen-bonded Turntrans-79.7-3.1165.1-70.3-178.3-164.9176.915.6113.3T114 D116 W117 E162 E163 E209 F210 T211 Q213T114-R166 PolarHBondContact OG1-NH2 2.85Å; T114-R166 VanDerWaalsContact OG1-NH2 3.16Å; D116-R166 PolarHBondContact O-NH2 3.38Å; W117-R166 HydrophobicContact CZ3-CG 4.02Å; E162-R166 WeakPolarHBondContact O-CB 3.25Å; E162-R166 WeakPolarHBondContact O-CG 3.41Å; E162-R166 PolarHBondContact O-N 3.4Å; E162-R166 IonicContact OE2-NH2 2.91Å; E163-R166 PolarHBondContact O-N 2.93Å; R166-E209 HydrophobicContact CB-CG 4.24Å; R166-E209 WeakPolarHBondContact O-CA 3.24Å; R166-F210 PolarHBondContact O-N 3.1Å; R166-T211 WeakPolarHBondContact CD-O 3.43Å; R166-T211 PolarHBondContact NH1-O 3.01Å; R166-Q213 HydrophobicContact CG-CB 4.3Å; R166-Q213 VanDerWaalsContact N-OE1 3.15Å
167T93.7Very high89.2Confident1 Ų133 Ų331%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-106.9124.2-179.1-55.60000112.1E163 I164 R165 Y207 V208 S237 I241E163-T167 WeakPolarHBondContact O-CB 3.47Å; E163-T167 PolarHBondContact O-N 3.45Å; E163-T167 PolarHBondContact O-OG1 3.44Å; I164-T167 WeakPolarHBondContact O-CB 3.31Å; I164-T167 PolarHBondContact O-N 3.1Å; I164-T167 VanDerWaalsContact O-O 3.1Å; R165-T167 VanDerWaalsContact C-N 3.27Å; T167-Y207 HydrophobicContact CG2-CD1 4.13Å; T167-V208 WeakPolarHBondContact CA-O 3.34Å; T167-S237 WeakPolarHBondContact O-CB 3.4Å; T167-S237 PolarHBondContact O-N 3.03Å; T167-I241 HydrophobicContact CG2-CD1 4.45Å; T167-I241 HydrophobicContact CG2-CG1 4.32Å
168I95.3Very high89.7Confident0 Ų029.9 Ų29.90%016%0.157CC..EExtended strand (participates in β ladder)trans-95.2155.716561.3174.2000111.3V170 F186 Y207 V208 F210 I216 A219 F220 V234 Q235I168-V170 HydrophobicContact CD1-CG2 3.62Å; I168-V170 HydrophobicContact CG1-CG2 3.99Å; I168-F186 HydrophobicContact CD1-CD1 4.38Å; I168-F186 HydrophobicContact CD1-CE1 3.85Å; I168-F186 HydrophobicContact CD1-CZ 3.93Å; I168-Y207 WeakPolarHBondContact O-CA 3.34Å; I168-V208 HydrophobicContact CD1-CB 4.16Å; I168-V208 HydrophobicContact CG1-CB 3.74Å; I168-V208 HydrophobicContact CG1-CG2 4.45Å; I168-V208 PolarHBondContact N-O 2.88Å; I168-V208 PolarHBondContact O-N 3.02Å; I168-F210 HydrophobicContact CD1-CE2 3.8Å; I168-F210 HydrophobicContact CD1-CZ 4.01Å; I168-F210 HydrophobicContact CG1-CE2 3.94Å; I168-F210 HydrophobicContact CG2-CE2 4.23Å; I168-I216 HydrophobicContact CG2-CD1 3.63Å; I168-A219 HydrophobicContact CD1-CB 3.84Å; I168-F220 HydrophobicContact CG2-CE2 4.46Å; I168-V234 HydrophobicContact CB-CG1 4.28Å; I168-V234 HydrophobicContact CD1-CG1 4.04Å; I168-V234 HydrophobicContact CG2-CG1 4.2Å; I168-Q235 CarbonylContact C-O 3.53Å; I168-Q235 WeakPolarHBondContact CA-O 3.39Å; I168-Q235 WeakPolarHBondContact CB-O 3.46Å
169L95Very high90.4Very high31 Ų3129.8 Ų29.816%0.16216%0.155CC..EExtended strand (participates in β ladder)trans-101.9125.8161.3172.460.3000108.5T171 A205 Y207 Q235L169-T171 HydrophobicContact CD1-CG2 4.14Å; L169-T171 HydrophobicContact CD2-CG2 4.25Å; L169-T171 HydrophobicContact CG-CG2 3.94Å; L169-A205 HydrophobicContact CD1-CB 4.14Å; L169-Y207 HydrophobicContact CB-CD1 4.3Å; L169-Y207 HydrophobicContact CB-CE1 4.11Å; L169-Y207 HydrophobicContact CD1-CD1 4.23Å; L169-Y207 HydrophobicContact CD1-CE1 3.89Å; L169-Y207 HydrophobicContact CD1-CE2 4.29Å; L169-Y207 HydrophobicContact CG-CE1 4.41Å; L169-Q235 HydrophobicContact CB-CB 4.47Å; L169-Q235 PolarHBondContact N-O 3.14Å; L169-Q235 PolarHBondContact O-N 3.49Å
170V94.3Very high90.8Very high0 Ų031.3 Ų31.30%016%0.159CC..EExtended strand (participates in β ladder)trans-109129.6175.6-169.80000108.6I168 L173 F186 A205 A206 V208 I232 M233I168-V170 HydrophobicContact CD1-CG2 3.62Å; I168-V170 HydrophobicContact CG1-CG2 3.99Å; V170-L173 HydrophobicContact CG1-CD2 3.81Å; V170-L173 HydrophobicContact CG1-CG 4.46Å; V170-F186 HydrophobicContact CG1-CE2 4.31Å; V170-F186 HydrophobicContact CG1-CZ 4.34Å; V170-F186 HydrophobicContact CG2-CE2 3.71Å; V170-F186 HydrophobicContact CG2-CZ 3.75Å; V170-A205 CarbonylContact O-C 3.53Å; V170-A205 WeakPolarHBondContact O-CA 3.47Å; V170-A205 VanDerWaalsContact O-CB 3.3Å; V170-A205 WeakPolarHBondContact O-CB 3.43Å; V170-A206 PolarHBondContact N-O 2.96Å; V170-A206 PolarHBondContact O-N 3Å; V170-V208 HydrophobicContact CG2-CG2 4.01Å; V170-I232 HydrophobicContact CG1-CB 4.04Å; V170-I232 HydrophobicContact CG1-CD1 4.46Å; V170-M233 CarbonylContact C-O 3.55Å; V170-M233 VanDerWaalsContact CA-O 3.29Å; V170-M233 WeakPolarHBondContact CA-O 3.35Å; V170-M233 WeakPolarHBondContact CG1-O 3.32Å
171T93.3Very high91.2Very high33 Ų3332.7 Ų32.720%0.20217%0.167CC..EExtended strand (participates in β ladder)trans-129174.8-179.261.70000111.7L169 L173 A205 M233L169-T171 HydrophobicContact CD1-CG2 4.14Å; L169-T171 HydrophobicContact CD2-CG2 4.25Å; L169-T171 HydrophobicContact CG-CG2 3.94Å; T171-L173 VanDerWaalsContact C-N 3.3Å; T171-L173 PolarHBondContact O-N 3.04Å; T171-A205 HydrophobicContact CG2-CB 4.14Å; T171-M233 PolarHBondContact N-O 3.39Å; T171-M233 PolarHBondContact O-N 3.2Å; T171-M233 WeakPolarHBondContact OG1-CB 3.39Å
172N92.4Very high91.5Very high73 Ų7332.6 Ų32.639%0.3917%0.166SC..EExtended strand (participates in β ladder)trans59.832.4-172.1-165.335.9000114.5Q231N172-Q231 PolarHBondContact ND2-O 3.03Å
173L92.4Very high91.7Very high2 Ų233.3 Ų33.31%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-70.5148.8173.2-57.7179.3000110.3V170 T171 V182 M197 R204 A206 L227 I232V170-L173 HydrophobicContact CG1-CD2 3.81Å; V170-L173 HydrophobicContact CG1-CG 4.46Å; T171-L173 VanDerWaalsContact C-N 3.3Å; T171-L173 PolarHBondContact O-N 3.04Å; L173-V182 HydrophobicContact CD1-CG2 3.97Å; L173-V182 HydrophobicContact CD2-CG2 4.48Å; L173-M197 HydrophobicContact CD1-CE 3.83Å; L173-R204 HydrophobicContact CB-CB 4.17Å; L173-R204 HydrophobicContact CB-CG 4.1Å; L173-R204 WeakPolarHBondContact CB-O 3.45Å; L173-R204 HydrophobicContact CD1-CG 4.46Å; L173-R204 PolarHBondContact N-O 3.04Å; L173-R204 VanDerWaalsContact N-O 3.15Å; L173-A206 HydrophobicContact CD1-CB 3.84Å; L173-L227 HydrophobicContact CD2-CD2 4.16Å; L173-I232 HydrophobicContact CD2-CG2 3.88Å
174D91Very high91.8Very high29 Ų2936.9 Ų36.916%0.15519%0.188CC..  trans-68.2140.4172.1-170.973.6000110.7K176 T177 N228 R230D174-K176 PolarHBondContact O-N 3.09Å; D174-K176 WeakPolarHBondContact OD2-CB 3.41Å; D174-K176 PolarHBondContact OD2-N 3.11Å; D174-T177 PolarHBondContact N-OG1 2.9Å; D174-T177 WeakPolarHBondContact O-CB 3.34Å; D174-T177 PolarHBondContact O-N 3.35Å; D174-T177 PolarHBondContact O-OG1 2.76Å; D174-N228 HydrophobicContact CB-CB 4Å; D174-R230 HydrophobicContact CB-CG 4.1Å; D174-R230 IonicContact OD1-CZ 2.73Å; D174-R230 IonicContact OD1-NE 3.64Å; D174-R230 PolarHBondContact OD1-NE 3.04Å; D174-R230 IonicContact OD1-NH2 2.71Å; D174-R230 PolarHBondContact OD1-NH2 3.44Å
175P87.8Confident91.9Very high39 Ų3938.3 Ų38.325%0.25319%0.194SC..THydrogen-bonded Turntrans-55-23.3179-31.838.8000115.3T177 D201 R204P175-T177 VanDerWaalsContact C-N 3.3Å; P175-D201 VanDerWaalsContact CB-O 3.24Å; P175-D201 WeakPolarHBondContact CB-O 3.31Å; P175-D201 WeakPolarHBondContact CG-O 3.48Å; P175-R204 PolarHBondContact O-NE 3.27Å; P175-R204 PolarHBondContact O-NH1 3.33Å; P175-R204 PolarHBondContact O-NH2 3.19Å
176K87.6Confident91.9Very high176 Ų17638.3 Ų38.377%0.76519%0.194SC*.THydrogen-bonded Turntrans-80.4-10.5175.3-61.5172.6-176171.50113.5D174 T178D174-K176 PolarHBondContact O-N 3.09Å; D174-K176 WeakPolarHBondContact OD2-CB 3.41Å; D174-K176 PolarHBondContact OD2-N 3.11Å; K176-T178 PolarHBondContact O-N 3.35Å
177T89.4Confident92Very high0 Ų041.4 Ų41.40%021%0.212CC..  trans-67.6126.9-175.5-48.20000111D174 P175 Q181 V182 R204 L227 N228D174-T177 PolarHBondContact N-OG1 2.9Å; D174-T177 WeakPolarHBondContact O-CB 3.34Å; D174-T177 PolarHBondContact O-N 3.35Å; D174-T177 PolarHBondContact O-OG1 2.76Å; P175-T177 VanDerWaalsContact C-N 3.3Å; T177-Q181 HydrophobicContact CG2-CB 4.3Å; T177-V182 HydrophobicContact CG2-CG2 3.78Å; T177-R204 PolarHBondContact O-NH1 3.1Å; T177-L227 HydrophobicContact CG2-CD2 3.97Å; T177-L227 HydrophobicContact CG2-CG 4.49Å; T177-N228 PolarHBondContact OG1-ND2 3.37Å
178T89.5Confident91.8Very high61 Ų6147.8 Ų47.837%0.37424%0.239SC..  trans-94157.5172.865.50000111K176 D180 Q181 V182K176-T178 PolarHBondContact O-N 3.35Å; T178-D180 PolarHBondContact O-N 3.26Å; T178-Q181 WeakPolarHBondContact O-CB 3.45Å; T178-Q181 PolarHBondContact O-N 2.96Å; T178-Q181 VanDerWaalsContact O-N 3.16Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.43Å; T178-Q181 PolarHBondContact OG1-N 3.16Å; T178-V182 PolarHBondContact O-N 3.15Å
179G89.2Confident91.6Very high2 Ų252 Ų522%0.02126%0.259CS..Hα-helixtrans-65.5-23.7176.900000113.5V182 L183 M197G179-V182 PolarHBondContact O-N 3.43Å; G179-L183 VanDerWaalsContact O-CB 3.28Å; G179-L183 WeakPolarHBondContact O-CB 3.37Å; G179-L183 PolarHBondContact O-N 3.04Å; G179-M197 WeakPolarHBondContact CA-SD 3.46Å
180D91.3Very high91.4Very high94 Ų9450.9 Ų50.950%0.50325%0.254SS..Hα-helixtrans-68-36.4174.3-48.9-76.5000111.4T178 L183 E184 V540T178-D180 PolarHBondContact O-N 3.26Å; D180-L183 PolarHBondContact O-N 3.27Å; D180-E184 WeakPolarHBondContact O-CB 3.45Å; D180-E184 PolarHBondContact O-N 2.63Å; D180-V540 WeakPolarHBondContact OD1-CG2 3.13Å
181Q92.3Very high91.3Very high70 Ų7054.5 Ų54.533%0.32727%0.271SS..Hα-helixtrans-68.9-39173.9-69168.3-10.600111.9T177 T178 F185 N228T177-Q181 HydrophobicContact CG2-CB 4.3Å; T178-Q181 WeakPolarHBondContact O-CB 3.45Å; T178-Q181 PolarHBondContact O-N 2.96Å; T178-Q181 VanDerWaalsContact O-N 3.16Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.43Å; T178-Q181 PolarHBondContact OG1-N 3.16Å; Q181-F185 VanDerWaalsContact O-CB 3.25Å; Q181-F185 WeakPolarHBondContact O-CB 3.4Å; Q181-F185 PolarHBondContact O-N 2.71Å; Q181-N228 PolarHBondContact OE1-ND2 2.81Å
182V92.9Very high91.2Very high0 Ų053.2 Ų53.20%026%0.263CS..Hα-helixtrans-64.8-43.9173.8178.40000110.5L173 T177 T178 G179 F185 F186 V195 M197 A206 V208 L227L173-V182 HydrophobicContact CD1-CG2 3.97Å; L173-V182 HydrophobicContact CD2-CG2 4.48Å; T177-V182 HydrophobicContact CG2-CG2 3.78Å; T178-V182 PolarHBondContact O-N 3.15Å; G179-V182 PolarHBondContact O-N 3.43Å; V182-F185 PolarHBondContact O-N 2.71Å; V182-F186 HydrophobicContact CG1-CD2 3.9Å; V182-F186 HydrophobicContact CG1-CE2 4.05Å; V182-F186 WeakPolarHBondContact O-CD2 3.36Å; V182-F186 PolarHBondContact O-N 2.91Å; V182-F186 VanDerWaalsContact O-N 3.1Å; V182-V195 HydrophobicContact CB-CG1 4.14Å; V182-V195 HydrophobicContact CG1-CG1 3.96Å; V182-M197 HydrophobicContact CG2-CE 4.48Å; V182-M197 HydrophobicContact CG2-SD 3.97Å; V182-A206 HydrophobicContact CG1-CB 4.02Å; V182-A206 HydrophobicContact CG2-CB 4.45Å; V182-V208 HydrophobicContact CG1-CG2 3.77Å; V182-L227 HydrophobicContact CG2-CD2 4.24Å
183L92.4Very high91.1Very high29 Ų2954.7 Ų54.715%0.15226%0.263CS..Hα-helixtrans-58.6-53.1174.7176.866.4000111G179 D180 F185 F186 N187 V192 V195 V537 V540G179-L183 VanDerWaalsContact O-CB 3.28Å; G179-L183 WeakPolarHBondContact O-CB 3.37Å; G179-L183 PolarHBondContact O-N 3.04Å; D180-L183 PolarHBondContact O-N 3.27Å; L183-F185 VanDerWaalsContact C-N 3.29Å; L183-F185 PolarHBondContact O-N 3.44Å; L183-F186 PolarHBondContact O-N 2.74Å; L183-N187 WeakPolarHBondContact O-CB 3.16Å; L183-N187 PolarHBondContact O-N 3.1Å; L183-V192 HydrophobicContact CD1-CB 3.69Å; L183-V192 HydrophobicContact CD1-CG1 3.59Å; L183-V192 HydrophobicContact CD1-CG2 4.45Å; L183-V195 HydrophobicContact CB-CB 4.47Å; L183-V195 HydrophobicContact CB-CG2 3.82Å; L183-V195 HydrophobicContact CD1-CG2 3.88Å; L183-V195 HydrophobicContact CG-CG2 4.46Å; L183-V537 HydrophobicContact CD2-CG1 4.03Å; L183-V540 HydrophobicContact CD2-CG2 4.3Å
184E92Very high91Very high117 Ų11755 Ų5555%0.54727%0.265SS..Hα-helixtrans-62.8-34.4-179.6-160.2-151.8121.900112.4D180 K188D180-E184 WeakPolarHBondContact O-CB 3.45Å; D180-E184 PolarHBondContact O-N 2.63Å; E184-K188 VanDerWaalsContact O-CD 3.29Å; E184-K188 WeakPolarHBondContact O-CD 3.31Å; E184-K188 VanDerWaalsContact O-CE 3.28Å; E184-K188 WeakPolarHBondContact O-CE 3.49Å; E184-K188 WeakPolarHBondContact O-CG 3.5Å; E184-K188 VanDerWaalsContact OE1-CE 3.23Å; E184-K188 WeakPolarHBondContact OE1-CE 3.15Å; E184-K188 IonicContact OE1-NZ 3.18Å; E184-K188 PolarHBondContact OE1-NZ 2.79Å
185F93.3Very high91Very high30 Ų3053.9 Ų53.913%0.13226%0.259CS..Hα-helixtrans-64.7-56.5175.8179.1-93.1000111.9Q181 V182 L183 L222 A225 L227 I232Q181-F185 VanDerWaalsContact O-CB 3.25Å; Q181-F185 WeakPolarHBondContact O-CB 3.4Å; Q181-F185 PolarHBondContact O-N 2.71Å; V182-F185 PolarHBondContact O-N 2.71Å; L183-F185 VanDerWaalsContact C-N 3.29Å; L183-F185 PolarHBondContact O-N 3.44Å; F185-L222 HydrophobicContact CE1-CB 4.38Å; F185-L222 HydrophobicContact CE1-CD1 3.97Å; F185-L222 HydrophobicContact CZ-CD1 4.41Å; F185-A225 HydrophobicContact CE2-CB 4.47Å; F185-A225 HydrophobicContact CZ-CB 3.73Å; F185-L227 HydrophobicContact CB-CD1 4.16Å; F185-L227 HydrophobicContact CD2-CD1 3.99Å; F185-L227 HydrophobicContact CG-CD1 4.21Å; F185-I232 HydrophobicContact CD1-CD1 4.21Å; F185-I232 HydrophobicContact CE1-CD1 3.49Å; F185-I232 VanDerWaalsContact CE1-CD1 3.49Å; F185-I232 HydrophobicContact CZ-CD1 3.99Å
186F93.7Very high91.1Very high2 Ų252.4 Ų52.41%0.00925%0.249CC..Hα-helixtrans-70.8-34.8-177.5-77.5-74.4000112.8I168 V170 V182 L183 K188 H189 A190 V192 V208 F210 A219 L222 I232 V234I168-F186 HydrophobicContact CD1-CD1 4.38Å; I168-F186 HydrophobicContact CD1-CE1 3.85Å; I168-F186 HydrophobicContact CD1-CZ 3.93Å; V170-F186 HydrophobicContact CG1-CE2 4.31Å; V170-F186 HydrophobicContact CG1-CZ 4.34Å; V170-F186 HydrophobicContact CG2-CE2 3.71Å; V170-F186 HydrophobicContact CG2-CZ 3.75Å; V182-F186 HydrophobicContact CG1-CD2 3.9Å; V182-F186 HydrophobicContact CG1-CE2 4.05Å; V182-F186 WeakPolarHBondContact O-CD2 3.36Å; V182-F186 PolarHBondContact O-N 2.91Å; V182-F186 VanDerWaalsContact O-N 3.1Å; L183-F186 PolarHBondContact O-N 2.74Å; F186-K188 PolarHBondContact O-N 2.94Å; F186-K188 VanDerWaalsContact O-N 3.1Å; F186-H189 PolarHBondContact O-N 2.55Å; F186-A190 PolarHBondContact O-N 3.04Å; F186-A190 VanDerWaalsContact O-O 3.12Å; F186-V192 HydrophobicContact CB-CG2 3.75Å; F186-V208 HydrophobicContact CB-CG1 4.39Å; F186-V208 HydrophobicContact CD2-CG1 4.42Å; F186-V208 HydrophobicContact CD2-CG2 4.14Å; F186-V208 HydrophobicContact CE2-CG2 4.34Å; F186-V208 HydrophobicContact CG-CG1 4.41Å; F186-F210 HydrophobicContact CB-CE1 4.15Å; F186-F210 HydrophobicContact CB-CZ 4.36Å; F186-F210 HydrophobicContact CD1-CE1 4.44Å; F186-F210 AromaticContact CD1-CZ 3.93Å; F186-F210 HydrophobicContact CD1-CZ 3.93Å; F186-F210 HydrophobicContact CG-CZ 4.32Å; F186-A219 HydrophobicContact CD1-CB 4.3Å; F186-A219 HydrophobicContact CE1-CB 4.05Å; F186-L222 HydrophobicContact CD1-CD1 4.03Å; F186-L222 HydrophobicContact CE1-CD1 4.08Å; F186-I232 HydrophobicContact CE2-CD1 4.34Å; F186-I232 HydrophobicContact CZ-CD1 3.79Å; F186-V234 HydrophobicContact CZ-CG2 4.42Å
187N92.6Very high91.3Very high81 Ų8144.4 Ų44.443%0.43321%0.214SC..THydrogen-bonded Turntrans-67.2-11-178-159.367.5000114L183 H189 A190 E191 V192L183-N187 WeakPolarHBondContact O-CB 3.16Å; L183-N187 PolarHBondContact O-N 3.1Å; N187-H189 VanDerWaalsContact C-N 3.34Å; N187-A190 WeakPolarHBondContact CA-O 3.45Å; N187-E191 WeakPolarHBondContact OD1-CA 3.41Å; N187-V192 HydrophobicContact CB-CG2 4.13Å; N187-V192 PolarHBondContact OD1-N 3.2Å
188K90.9Very high91.2Very high134 Ų13445.5 Ų45.558%0.58322%0.223SC*.THydrogen-bonded Turntrans-73.3-22.9169.4-73.1160.7-172.9169.50113.6E184 F186E184-K188 VanDerWaalsContact O-CD 3.29Å; E184-K188 WeakPolarHBondContact O-CD 3.31Å; E184-K188 VanDerWaalsContact O-CE 3.28Å; E184-K188 WeakPolarHBondContact O-CE 3.49Å; E184-K188 WeakPolarHBondContact O-CG 3.5Å; E184-K188 VanDerWaalsContact OE1-CE 3.23Å; E184-K188 WeakPolarHBondContact OE1-CE 3.15Å; E184-K188 IonicContact OE1-NZ 3.18Å; E184-K188 PolarHBondContact OE1-NZ 2.79Å; F186-K188 PolarHBondContact O-N 2.94Å; F186-K188 VanDerWaalsContact O-N 3.1Å
189H90.4Very high91Very high90 Ų9045.5 Ų45.542%0.41724%0.235SC..THydrogen-bonded Turntrans-112.2-35-175.5-61.1-86.6000112.6F186 N187 K218 L222F186-H189 PolarHBondContact O-N 2.55Å; N187-H189 VanDerWaalsContact C-N 3.34Å; H189-K218 WeakPolarHBondContact O-CD 3.38Å; H189-K218 PolarHBondContact O-NZ 3.5Å; H189-L222 HydrophobicContact CB-CD1 4.11Å
190A91Very high90.7Very high7 Ų748.9 Ų48.96%0.05826%0.255CS..SBendtrans-151.8140.8179.600000111.5F186 N187 V192 F210 K218F186-A190 PolarHBondContact O-N 3.04Å; F186-A190 VanDerWaalsContact O-O 3.12Å; N187-A190 WeakPolarHBondContact CA-O 3.45Å; A190-V192 PolarHBondContact O-N 2.8Å; A190-F210 HydrophobicContact CB-CD1 3.78Å; A190-F210 HydrophobicContact CB-CE1 3.83Å; A190-K218 HydrophobicContact CB-CD 4.01Å
191E91.8Very high90.2Very high76 Ų7649.6 Ų49.636%0.35526%0.259SS..  trans-62.1122-178.6-175.3-167.4-157.900111.9N187 T211 P535N187-E191 WeakPolarHBondContact OD1-CA 3.41Å; E191-T211 HydrophobicContact CB-CG2 4.38Å; E191-T211 WeakPolarHBondContact CB-OG1 3.15Å; E191-T211 VanDerWaalsContact CD-CG2 3.44Å; E191-T211 HydrophobicContact CG-CG2 3.69Å; E191-T211 PolarHBondContact O-N 3.29Å; E191-T211 PolarHBondContact O-OG1 3.22Å; E191-T211 VanDerWaalsContact OE2-CB 3.29Å; E191-T211 WeakPolarHBondContact OE2-CB 3.4Å; E191-T211 WeakPolarHBondContact OE2-CG2 3.25Å; E191-T211 PolarHBondContact OE2-OG1 3.02Å; E191-P535 WeakPolarHBondContact OE1-CB 3.28Å; E191-P535 VanDerWaalsContact OE1-CG 3.23Å; E191-P535 WeakPolarHBondContact OE1-CG 3.37Å
192V92.3Very high89.6Confident5 Ų554.3 Ų54.33%0.0328%0.279CS..EExtended strand (participates in β ladder)trans-98.3126.6-177.6-179.60000110.4L183 F186 N187 A190 V195 V208 F210L183-V192 HydrophobicContact CD1-CB 3.69Å; L183-V192 HydrophobicContact CD1-CG1 3.59Å; L183-V192 HydrophobicContact CD1-CG2 4.45Å; F186-V192 HydrophobicContact CB-CG2 3.75Å; N187-V192 HydrophobicContact CB-CG2 4.13Å; N187-V192 PolarHBondContact OD1-N 3.2Å; A190-V192 PolarHBondContact O-N 2.8Å; V192-V195 HydrophobicContact CG1-CG2 3.68Å; V192-V208 HydrophobicContact CG1-CG1 3.75Å; V192-V208 HydrophobicContact CG2-CG1 4.07Å; V192-F210 HydrophobicContact CG2-CD1 4.04Å; V192-F210 HydrophobicContact CG2-CE1 3.86Å
193R89.5Confident89.3Confident105 Ų10560 Ų6040%0.39631%0.309SS..EExtended strand (participates in β ladder)trans-78.1-44.1179-161.7-169.9-163.7173.86.5112E163 E209 T211E163-R193 IonicContact OE1-NH1 3.99Å; R193-E209 WeakPolarHBondContact CA-O 3.37Å; R193-E209 HydrophobicContact CB-CG 4.41Å; R193-E209 WeakPolarHBondContact CB-O 3.13Å; R193-E209 WeakPolarHBondContact CD-OE1 3.43Å; R193-E209 IonicContact CZ-OE1 2.68Å; R193-E209 PolarHBondContact N-O 3.22Å; R193-E209 IonicContact NE-OE1 3.2Å; R193-E209 IonicContact NH1-OE1 2.68Å; R193-E209 PolarHBondContact NH1-OE1 2.84Å; R193-T211 HydrophobicContact CB-CG2 3.93Å; R193-T211 HydrophobicContact CG-CG2 4.29Å
194C89.4Confident89.1Confident8 Ų861 Ų615%0.05431%0.311CS..EExtended strand (participates in β ladder)trans-162157.6171.556.70000112.2E209C194-E209 PolarHBondContact N-O 3.4Å; C194-E209 PolarHBondContact O-N 3.38Å
195V91.9Very high89.2Confident5 Ų555.8 Ų55.83%0.0329%0.288CS..EExtended strand (participates in β ladder)trans-123.7138173.2177.20000109.5V182 L183 V192 M197 A206 Y207 V208V182-V195 HydrophobicContact CB-CG1 4.14Å; V182-V195 HydrophobicContact CG1-CG1 3.96Å; L183-V195 HydrophobicContact CB-CB 4.47Å; L183-V195 HydrophobicContact CB-CG2 3.82Å; L183-V195 HydrophobicContact CD1-CG2 3.88Å; L183-V195 HydrophobicContact CG-CG2 4.46Å; V192-V195 HydrophobicContact CG1-CG2 3.68Å; V195-M197 HydrophobicContact CG1-SD 4.49Å; V195-A206 HydrophobicContact CG1-CB 4.34Å; V195-Y207 WeakPolarHBondContact CA-O 3.36Å; V195-V208 HydrophobicContact CG1-CG2 4.34Å; V195-V208 HydrophobicContact CG2-CG1 4.22Å; V195-V208 HydrophobicContact CG2-CG2 4.15Å
196R90Very high89.1Confident9 Ų954.4 Ų54.43%0.03428%0.282CS..EExtended strand (participates in β ladder)trans-135.5100.8-179.1-172.8162-175.7-76-8.7110.6Y207 I241 A543 G544 D547 M548R196-Y207 PolarHBondContact N-O 3.01Å; R196-Y207 PolarHBondContact O-N 3.4Å; R196-I241 HydrophobicContact CB-CD1 3.97Å; R196-I241 HydrophobicContact CB-CG1 4.22Å; R196-I241 HydrophobicContact CB-CG2 4.27Å; R196-A543 HydrophobicContact CG-CB 4.04Å; R196-A543 VanDerWaalsContact NH1-CB 3.27Å; R196-A543 VanDerWaalsContact NH2-CA 3.31Å; R196-G544 PolarHBondContact NH2-O 3.25Å; R196-D547 IonicContact CZ-OD2 2.67Å; R196-D547 PolarHBondContact NE-O 3.11Å; R196-D547 IonicContact NE-OD2 3.6Å; R196-D547 PolarHBondContact NH1-O 3.05Å; R196-D547 VanDerWaalsContact NH2-CG 3.29Å; R196-D547 PolarHBondContact NH2-O 3.26Å; R196-D547 IonicContact NH2-OD2 2.73Å; R196-D547 PolarHBondContact NH2-OD2 3.1Å; R196-M548 PolarHBondContact NH1-SD 3.27Å
197M91.1Very high89.2Confident8 Ų856.1 Ų56.14%0.03929%0.289CS..EExtended strand (participates in β ladder)trans-63.2135.3179.1-63.7-58.1-65.500111L173 G179 V182 V195 R204 A206 L542 A543L173-M197 HydrophobicContact CD1-CE 3.83Å; G179-M197 WeakPolarHBondContact CA-SD 3.46Å; V182-M197 HydrophobicContact CG2-CE 4.48Å; V182-M197 HydrophobicContact CG2-SD 3.97Å; V195-M197 HydrophobicContact CG1-SD 4.49Å; M197-R204 HydrophobicContact CE-CG 3.82Å; M197-A206 HydrophobicContact CE-CB 4.5Å; M197-A206 HydrophobicContact SD-CB 3.73Å; M197-L542 HydrophobicContact CB-CD2 3.9Å; M197-L542 HydrophobicContact CG-CD2 4.2Å; M197-A543 WeakPolarHBondContact O-CB 3.27Å; M197-A543 PolarHBondContact O-N 3.05Å
198A88.4Confident89.3Confident23 Ų2352.2 Ų52.219%0.1927%0.268CS..EExtended strand (participates in β ladder)trans-141.7-177.8-17600000111.4A205 Y207 A543A198-A205 PolarHBondContact N-O 2.87Å; A198-A205 CarbonylContact O-C 3.45Å; A198-A205 PolarHBondContact O-N 3.1Å; A198-Y207 HydrophobicContact CB-CD2 3.96Å; A198-Y207 HydrophobicContact CB-CE2 3.83Å; A198-A543 HydrophobicContact CB-CB 4.38Å
199G84.4Confident89.4Confident61 Ų6145.9 Ų45.963%0.62924%0.24SC*.EExtended strand (participates in β ladder)trans85.2-162.8-179.900000113.5D203G199-D203 WeakPolarHBondContact CA-O 3.45Å
200T83.4Confident89.6Confident72 Ų7241.6 Ų41.644%0.44222%0.221SC..  trans-103.1179.3177.870.30000110.7F202 D203 R204T200-F202 PolarHBondContact O-N 3.41Å; T200-F202 PolarHBondContact OG1-N 3.07Å; T200-D203 PolarHBondContact N-O 3.37Å; T200-D203 CarbonylContact O-C 3.54Å; T200-D203 PolarHBondContact OG1-N 2.84Å; T200-D203 PolarHBondContact OG1-OD2 3.16Å; T200-R204 WeakPolarHBondContact O-CA 3.42Å; T200-R204 PolarHBondContact O-N 2.85Å
201D80.5Confident89.5Confident109 Ų10942.7 Ų42.758%0.58323%0.227SC*.SBendtrans-71-9.9170.9-71.4-46.9000113.7P175 R204P175-D201 VanDerWaalsContact CB-O 3.24Å; P175-D201 WeakPolarHBondContact CB-O 3.31Å; P175-D201 WeakPolarHBondContact CG-O 3.48Å; D201-R204 IonicContact OD1-CZ 2.63Å; D201-R204 IonicContact OD1-NH2 2.7Å; D201-R204 PolarHBondContact OD1-NH2 3.36Å
202F80.2Confident89.4Confident170 Ų17044.3 Ų44.375%0.74623%0.234SC*.SBendtrans-100-48.6172-58.7-75.3000110.8T200 R204T200-F202 PolarHBondContact O-N 3.41Å; T200-F202 PolarHBondContact OG1-N 3.07Å; F202-R204 PolarHBondContact O-N 3.45Å
203D86Confident89.2Confident119 Ų11944.1 Ų44.164%0.63623%0.233SC*.SBendtrans-9958.8-177.9-49.7-63000110.4G199 T200 A205G199-D203 WeakPolarHBondContact CA-O 3.45Å; T200-D203 PolarHBondContact N-O 3.37Å; T200-D203 CarbonylContact O-C 3.54Å; T200-D203 PolarHBondContact OG1-N 2.84Å; T200-D203 PolarHBondContact OG1-OD2 3.16Å; D203-A205 PolarHBondContact O-N 3.23Å
204R89.1Confident89.2Confident49 Ų4941.1 Ų41.119%0.18523%0.227CC..EExtended strand (participates in β ladder)trans-71.6131.1-175.2-172.3164-74.4-150.51.7111.1L173 P175 T177 M197 T200 D201 F202L173-R204 HydrophobicContact CB-CB 4.17Å; L173-R204 HydrophobicContact CB-CG 4.1Å; L173-R204 WeakPolarHBondContact CB-O 3.45Å; L173-R204 HydrophobicContact CD1-CG 4.46Å; L173-R204 PolarHBondContact N-O 3.04Å; L173-R204 VanDerWaalsContact N-O 3.15Å; P175-R204 PolarHBondContact O-NE 3.27Å; P175-R204 PolarHBondContact O-NH1 3.33Å; P175-R204 PolarHBondContact O-NH2 3.19Å; T177-R204 PolarHBondContact O-NH1 3.1Å; M197-R204 HydrophobicContact CE-CG 3.82Å; T200-R204 WeakPolarHBondContact O-CA 3.42Å; T200-R204 PolarHBondContact O-N 2.85Å; D201-R204 IonicContact OD1-CZ 2.63Å; D201-R204 IonicContact OD1-NH2 2.7Å; D201-R204 PolarHBondContact OD1-NH2 3.36Å; F202-R204 PolarHBondContact O-N 3.45Å
205A92.5Very high89.3Confident9 Ų941 Ų417%0.07423%0.226CC..EExtended strand (participates in β ladder)trans-134.8170.6-176.400000111.5L169 V170 T171 A198 D203L169-A205 HydrophobicContact CD1-CB 4.14Å; V170-A205 CarbonylContact O-C 3.53Å; V170-A205 WeakPolarHBondContact O-CA 3.47Å; V170-A205 VanDerWaalsContact O-CB 3.3Å; V170-A205 WeakPolarHBondContact O-CB 3.43Å; T171-A205 HydrophobicContact CG2-CB 4.14Å; A198-A205 PolarHBondContact N-O 2.87Å; A198-A205 CarbonylContact O-C 3.45Å; A198-A205 PolarHBondContact O-N 3.1Å; D203-A205 PolarHBondContact O-N 3.23Å
206A92.6Very high89.3Confident0 Ų040.8 Ų40.80%023%0.225CC..EExtended strand (participates in β ladder)trans-148.2138.2171.400000111V170 L173 V182 V195 M197 V208V170-A206 PolarHBondContact N-O 2.96Å; V170-A206 PolarHBondContact O-N 3Å; L173-A206 HydrophobicContact CD1-CB 3.84Å; V182-A206 HydrophobicContact CG1-CB 4.02Å; V182-A206 HydrophobicContact CG2-CB 4.45Å; V195-A206 HydrophobicContact CG1-CB 4.34Å; M197-A206 HydrophobicContact CE-CB 4.5Å; M197-A206 HydrophobicContact SD-CB 3.73Å; A206-V208 HydrophobicContact CB-CG2 4.49Å
207Y94.6Very high89.4Confident38 Ų3841.6 Ų41.615%0.14923%0.23CC..EExtended strand (participates in β ladder)trans-87.6133.7161.2-65.2-84.9000108.8T167 I168 L169 V195 R196 A198 S237 M548T167-Y207 HydrophobicContact CG2-CD1 4.13Å; I168-Y207 WeakPolarHBondContact O-CA 3.34Å; L169-Y207 HydrophobicContact CB-CD1 4.3Å; L169-Y207 HydrophobicContact CB-CE1 4.11Å; L169-Y207 HydrophobicContact CD1-CD1 4.23Å; L169-Y207 HydrophobicContact CD1-CE1 3.89Å; L169-Y207 HydrophobicContact CD1-CE2 4.29Å; L169-Y207 HydrophobicContact CG-CE1 4.41Å; V195-Y207 WeakPolarHBondContact CA-O 3.36Å; R196-Y207 PolarHBondContact N-O 3.01Å; R196-Y207 PolarHBondContact O-N 3.4Å; A198-Y207 HydrophobicContact CB-CD2 3.96Å; A198-Y207 HydrophobicContact CB-CE2 3.83Å; Y207-S237 WeakPolarHBondContact CD1-OG 3.4Å; Y207-S237 WeakPolarHBondContact CE1-OG 3.37Å; Y207-M548 HydrophobicContact CD1-CE 3.88Å; Y207-M548 HydrophobicContact CD2-CE 3.92Å; Y207-M548 HydrophobicContact CD2-SD 3.71Å; Y207-M548 HydrophobicContact CE1-CE 3.82Å; Y207-M548 HydrophobicContact CE2-CE 3.87Å; Y207-M548 HydrophobicContact CE2-CG 4.18Å; Y207-M548 HydrophobicContact CE2-SD 3.84Å; Y207-M548 HydrophobicContact CG-CE 3.92Å; Y207-M548 HydrophobicContact CG-SD 4.17Å
208V94.3Very high89.5Confident0 Ų046.8 Ų46.80%025%0.252CS..EExtended strand (participates in β ladder)trans-128.1113.4180-179.70000107.8T167 I168 V170 V182 F186 V192 V195 A206 F210T167-V208 WeakPolarHBondContact CA-O 3.34Å; I168-V208 HydrophobicContact CD1-CB 4.16Å; I168-V208 HydrophobicContact CG1-CB 3.74Å; I168-V208 HydrophobicContact CG1-CG2 4.45Å; I168-V208 PolarHBondContact N-O 2.88Å; I168-V208 PolarHBondContact O-N 3.02Å; V170-V208 HydrophobicContact CG2-CG2 4.01Å; V182-V208 HydrophobicContact CG1-CG2 3.77Å; F186-V208 HydrophobicContact CB-CG1 4.39Å; F186-V208 HydrophobicContact CD2-CG1 4.42Å; F186-V208 HydrophobicContact CD2-CG2 4.14Å; F186-V208 HydrophobicContact CE2-CG2 4.34Å; F186-V208 HydrophobicContact CG-CG1 4.41Å; V192-V208 HydrophobicContact CG1-CG1 3.75Å; V192-V208 HydrophobicContact CG2-CG1 4.07Å; V195-V208 HydrophobicContact CG1-CG2 4.34Å; V195-V208 HydrophobicContact CG2-CG1 4.22Å; V195-V208 HydrophobicContact CG2-CG2 4.15Å; A206-V208 HydrophobicContact CB-CG2 4.49Å; V208-F210 HydrophobicContact CG1-CE1 4.24Å; V208-F210 HydrophobicContact CG1-CE2 4.27Å; V208-F210 HydrophobicContact CG1-CZ 3.96Å
209E93.8Very high89.7Confident0 Ų045.8 Ų45.80%024%0.244CC..EExtended strand (participates in β ladder)trans-97.2123.3174.6-173.8-174.5149.200109.7R166 R193 C194 I241 K243R166-E209 HydrophobicContact CB-CG 4.24Å; R166-E209 WeakPolarHBondContact O-CA 3.24Å; R193-E209 WeakPolarHBondContact CA-O 3.37Å; R193-E209 HydrophobicContact CB-CG 4.41Å; R193-E209 WeakPolarHBondContact CB-O 3.13Å; R193-E209 WeakPolarHBondContact CD-OE1 3.43Å; R193-E209 IonicContact CZ-OE1 2.68Å; R193-E209 PolarHBondContact N-O 3.22Å; R193-E209 IonicContact NE-OE1 3.2Å; R193-E209 IonicContact NH1-OE1 2.68Å; R193-E209 PolarHBondContact NH1-OE1 2.84Å; C194-E209 PolarHBondContact N-O 3.4Å; C194-E209 PolarHBondContact O-N 3.38Å; E209-I241 HydrophobicContact CB-CD1 4.02Å; E209-K243 IonicContact OE1-NZ 3.21Å; E209-K243 PolarHBondContact OE1-NZ 3.09Å; E209-K243 WeakPolarHBondContact OE2-CE 3.44Å; E209-K243 IonicContact OE2-NZ 2.7Å; E209-K243 PolarHBondContact OE2-NZ 2.79Å
210F93.9Very high90.2Very high1 Ų143 Ų430%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-85.2156.5174.1-63.1-78.3000111.8R166 I168 F186 A190 V192 V208 I216 A219R166-F210 PolarHBondContact O-N 3.1Å; I168-F210 HydrophobicContact CD1-CE2 3.8Å; I168-F210 HydrophobicContact CD1-CZ 4.01Å; I168-F210 HydrophobicContact CG1-CE2 3.94Å; I168-F210 HydrophobicContact CG2-CE2 4.23Å; F186-F210 HydrophobicContact CB-CE1 4.15Å; F186-F210 HydrophobicContact CB-CZ 4.36Å; F186-F210 HydrophobicContact CD1-CE1 4.44Å; F186-F210 AromaticContact CD1-CZ 3.93Å; F186-F210 HydrophobicContact CD1-CZ 3.93Å; F186-F210 HydrophobicContact CG-CZ 4.32Å; A190-F210 HydrophobicContact CB-CD1 3.78Å; A190-F210 HydrophobicContact CB-CE1 3.83Å; V192-F210 HydrophobicContact CG2-CD1 4.04Å; V192-F210 HydrophobicContact CG2-CE1 3.86Å; V208-F210 HydrophobicContact CG1-CE1 4.24Å; V208-F210 HydrophobicContact CG1-CE2 4.27Å; V208-F210 HydrophobicContact CG1-CZ 3.96Å; F210-I216 HydrophobicContact CD2-CD1 3.93Å; F210-I216 HydrophobicContact CE2-CD1 4.32Å; F210-A219 HydrophobicContact CE2-CB 3.81Å; F210-A219 HydrophobicContact CZ-CB 3.68Å
211T90.4Very high90.6Very high30 Ų3042.2 Ų42.218%0.18422%0.22CC..SBendtrans-69.4-38.6174.355.90000112R166 E191 R193R166-T211 WeakPolarHBondContact CD-O 3.43Å; R166-T211 PolarHBondContact NH1-O 3.01Å; E191-T211 HydrophobicContact CB-CG2 4.38Å; E191-T211 WeakPolarHBondContact CB-OG1 3.15Å; E191-T211 VanDerWaalsContact CD-CG2 3.44Å; E191-T211 HydrophobicContact CG-CG2 3.69Å; E191-T211 PolarHBondContact O-N 3.29Å; E191-T211 PolarHBondContact O-OG1 3.22Å; E191-T211 VanDerWaalsContact OE2-CB 3.29Å; E191-T211 WeakPolarHBondContact OE2-CB 3.4Å; E191-T211 WeakPolarHBondContact OE2-CG2 3.25Å; E191-T211 PolarHBondContact OE2-OG1 3.02Å; R193-T211 HydrophobicContact CB-CG2 3.93Å; R193-T211 HydrophobicContact CG-CG2 4.29Å
212Q88.9Confident91.2Very high110 Ų11038.3 Ų38.351%0.51420%0.199SC..SBendtrans-115.1149.7-177.7-57.6-179.11.100112.1S215Q212-S215 VanDerWaalsContact O-CB 3.25Å; Q212-S215 WeakPolarHBondContact O-CB 3.14Å; Q212-S215 PolarHBondContact O-OG 2.85Å
213Q88Confident91.7Very high0 Ų034.4 Ų34.40%018%0.184CC..THydrogen-bonded Turntrans-68.3-42.7179.5-174.461.521.600114.9W117 P118 V121 Y149 R165 R166 S215 I216W117-Q213 HydrophobicContact CH2-CB 4.14Å; W117-Q213 HydrophobicContact CH2-CG 3.65Å; W117-Q213 HydrophobicContact CZ2-CG 3.96Å; W117-Q213 HydrophobicContact CZ3-CB 4.11Å; W117-Q213 HydrophobicContact CZ3-CG 4.14Å; P118-Q213 HydrophobicContact CG-CB 3.86Å; P118-Q213 HydrophobicContact CG-CG 4.36Å; V121-Q213 HydrophobicContact CG1-CG 4.46Å; V121-Q213 HydrophobicContact CG2-CG 4.12Å; Y149-Q213 PolarHBondContact OH-NE2 2.82Å; R165-Q213 PolarHBondContact O-NE2 3.33Å; R165-Q213 PolarHBondContact O-OE1 2.63Å; R165-Q213 VanDerWaalsContact O-OE1 3.1Å; R166-Q213 HydrophobicContact CG-CB 4.3Å; R166-Q213 VanDerWaalsContact N-OE1 3.15Å; Q213-S215 PolarHBondContact O-N 3.29Å; Q213-I216 WeakPolarHBondContact O-CB 3.48Å; Q213-I216 VanDerWaalsContact O-CG1 3.28Å; Q213-I216 WeakPolarHBondContact O-CG1 3.4Å; Q213-I216 PolarHBondContact O-N 2.83Å
214P89.6Confident92Very high42 Ų4230.3 Ų30.327%0.27317%0.17SC..THydrogen-bonded Turntrans-63.4-12.7-179-24.136.6000114.4P118 I216 I217P118-P214 HydrophobicContact CG-CG 3.96Å; P214-I216 PolarHBondContact O-N 3.42Å; P214-I217 PolarHBondContact O-N 2.86Å
215S91.9Very high92.2Very high6 Ų629.2 Ų29.24%0.04217%0.172CC..Hα-helixtrans-59.5-27.1170.8-60.10000113.6Q212 Q213 I217 K218 A219Q212-S215 VanDerWaalsContact O-CB 3.25Å; Q212-S215 WeakPolarHBondContact O-CB 3.14Å; Q212-S215 PolarHBondContact O-OG 2.85Å; Q213-S215 PolarHBondContact O-N 3.29Å; S215-I217 VanDerWaalsContact C-N 3.33Å; S215-I217 PolarHBondContact O-N 2.63Å; S215-K218 WeakPolarHBondContact O-CB 3.41Å; S215-K218 PolarHBondContact O-N 2.7Å; S215-A219 PolarHBondContact O-N 3.47Å
216I92.5Very high92.2Very high0 Ų033.2 Ų33.20%020%0.195CC..Hα-helixtrans-58.2-45.9177.2-63.5-66.6000110.8R165 I168 F210 Q213 P214 K218 A219 F220R165-I216 VanDerWaalsContact O-CD1 3.29Å; R165-I216 WeakPolarHBondContact O-CD1 3.47Å; R165-I216 VanDerWaalsContact O-CG1 3.3Å; R165-I216 WeakPolarHBondContact O-CG1 3.17Å; I168-I216 HydrophobicContact CG2-CD1 3.63Å; F210-I216 HydrophobicContact CD2-CD1 3.93Å; F210-I216 HydrophobicContact CE2-CD1 4.32Å; Q213-I216 WeakPolarHBondContact O-CB 3.48Å; Q213-I216 VanDerWaalsContact O-CG1 3.28Å; Q213-I216 WeakPolarHBondContact O-CG1 3.4Å; Q213-I216 PolarHBondContact O-N 2.83Å; P214-I216 PolarHBondContact O-N 3.42Å; I216-K218 VanDerWaalsContact C-N 3.29Å; I216-K218 PolarHBondContact O-N 3.21Å; I216-A219 PolarHBondContact O-N 3.16Å; I216-F220 HydrophobicContact CG2-CD2 3.72Å; I216-F220 HydrophobicContact CG2-CE2 3.66Å; I216-F220 WeakPolarHBondContact O-CD2 3.27Å; I216-F220 PolarHBondContact O-N 3.28Å
217I92.2Very high92.1Very high27 Ų2734.1 Ų34.114%0.13820%0.2CC..Hα-helixtrans-57-44.2177.8-56.2167.6000110.7E138 R140 L141 L144 F146 P214 S215 A219 F220 G221E138-I217 WeakPolarHBondContact OE1-CD1 3.15Å; R140-I217 HydrophobicContact CB-CD1 3.58Å; R140-I217 HydrophobicContact CG-CD1 4.22Å; L141-I217 HydrophobicContact CD2-CG1 4.04Å; L144-I217 HydrophobicContact CD1-CG2 3.46Å; L144-I217 VanDerWaalsContact CD1-CG2 3.46Å; F146-I217 HydrophobicContact CD2-CG2 4.23Å; F146-I217 HydrophobicContact CE2-CG2 3.84Å; P214-I217 PolarHBondContact O-N 2.86Å; S215-I217 VanDerWaalsContact C-N 3.33Å; S215-I217 PolarHBondContact O-N 2.63Å; I217-A219 VanDerWaalsContact C-N 3.32Å; I217-A219 PolarHBondContact O-N 3.45Å; I217-F220 PolarHBondContact O-N 2.86Å; I217-G221 PolarHBondContact O-N 3.39Å; I217-G221 VanDerWaalsContact O-N 3.09Å
218K92.5Very high91.9Very high117 Ų11736 Ų3651%0.50921%0.213SC..Hα-helixtrans-62.1-39.8176.9-63.3176.4165.9-174.70111.7H189 A190 S215 I216 G221 L222H189-K218 WeakPolarHBondContact O-CD 3.38Å; H189-K218 PolarHBondContact O-NZ 3.5Å; A190-K218 HydrophobicContact CB-CD 4.01Å; S215-K218 WeakPolarHBondContact O-CB 3.41Å; S215-K218 PolarHBondContact O-N 2.7Å; I216-K218 VanDerWaalsContact C-N 3.29Å; I216-K218 PolarHBondContact O-N 3.21Å; K218-G221 PolarHBondContact O-N 2.92Å; K218-L222 PolarHBondContact O-N 3.25Å
219A93.3Very high91.5Very high1 Ų139.3 Ų39.31%0.00825%0.247CC..Hα-helixtrans-71.2-34.918000000113.1I168 F186 F210 S215 I216 I217 G221 L222I168-A219 HydrophobicContact CD1-CB 3.84Å; F186-A219 HydrophobicContact CD1-CB 4.3Å; F186-A219 HydrophobicContact CE1-CB 4.05Å; F210-A219 HydrophobicContact CE2-CB 3.81Å; F210-A219 HydrophobicContact CZ-CB 3.68Å; S215-A219 PolarHBondContact O-N 3.47Å; I216-A219 PolarHBondContact O-N 3.16Å; I217-A219 VanDerWaalsContact C-N 3.32Å; I217-A219 PolarHBondContact O-N 3.45Å; A219-G221 VanDerWaalsContact C-N 3.29Å; A219-L222 WeakPolarHBondContact O-CB 3.37Å; A219-L222 PolarHBondContact O-N 3.09Å
220F93.8Very high91.4Very high4 Ų443.2 Ų43.22%0.01826%0.261CS..Hα-helixtrans-64.9-33.8169.4-84-78.2000112.3F146 P147 I168 I216 I217 L222 M223 V234 H236F146-F220 HydrophobicContact CB-CB 4.46Å; F146-F220 HydrophobicContact CD1-CB 3.91Å; F146-F220 HydrophobicContact CD2-CB 3.87Å; F146-F220 HydrophobicContact CE1-CB 4.01Å; F146-F220 HydrophobicContact CE2-CB 3.97Å; F146-F220 HydrophobicContact CG-CB 3.84Å; F146-F220 HydrophobicContact CG-CG 4.42Å; F146-F220 HydrophobicContact CZ-CB 4.04Å; P147-F220 HydrophobicContact CB-CE1 4.18Å; P147-F220 HydrophobicContact CG-CD1 4.2Å; P147-F220 HydrophobicContact CG-CE1 3.77Å; I168-F220 HydrophobicContact CG2-CE2 4.46Å; I216-F220 HydrophobicContact CG2-CD2 3.72Å; I216-F220 HydrophobicContact CG2-CE2 3.66Å; I216-F220 WeakPolarHBondContact O-CD2 3.27Å; I216-F220 PolarHBondContact O-N 3.28Å; I217-F220 PolarHBondContact O-N 2.86Å; F220-L222 PolarHBondContact O-N 3.41Å; F220-L222 VanDerWaalsContact O-N 3.14Å; F220-M223 HydrophobicContact CD1-CE 3.59Å; F220-M223 HydrophobicContact CE1-CE 3.94Å; F220-M223 WeakPolarHBondContact O-CB 3.49Å; F220-M223 PolarHBondContact O-N 3.08Å; F220-M223 VanDerWaalsContact O-N 3.08Å; F220-V234 HydrophobicContact CD1-CG1 4.19Å; F220-V234 HydrophobicContact CE1-CG1 4.1Å; F220-V234 WeakPolarHBondContact CE1-O 3.28Å; F220-V234 HydrophobicContact CE2-CG1 4.42Å; F220-V234 HydrophobicContact CG-CG1 4.39Å; F220-V234 HydrophobicContact CZ-CG1 4.23Å; F220-H236 AromaticContact CE2-CE1 3.24Å; F220-H236 WeakPolarHBondContact CE2-CE1 3.46Å; F220-H236 AromaticContact CE2-ND1 3.53Å; F220-H236 AromaticContact CE2-NE2 3.7Å; F220-H236 AromaticContact CZ-CD2 3.88Å; F220-H236 AromaticContact CZ-CE1 3.65Å; F220-H236 AromaticContact CZ-CG 3.93Å; F220-H236 AromaticContact CZ-ND1 3.79Å; F220-H236 AromaticContact CZ-NE2 3.69Å
221G92.2Very high91.4Very high55 Ų5549.1 Ų49.157%0.56729%0.289SS*.THydrogen-bonded Turntrans-64.2-6.716800000115.5I217 K218 A219I217-G221 PolarHBondContact O-N 3.39Å; I217-G221 VanDerWaalsContact O-N 3.09Å; K218-G221 PolarHBondContact O-N 2.92Å; A219-G221 VanDerWaalsContact C-N 3.29Å
222L92.1Very high91.6Very high26 Ų2647.8 Ų47.814%0.13628%0.281CS..THydrogen-bonded Turntrans-1068173-60.1172.4000112.8F185 F186 H189 K218 A219 F220 G224 A225F185-L222 HydrophobicContact CE1-CB 4.38Å; F185-L222 HydrophobicContact CE1-CD1 3.97Å; F185-L222 HydrophobicContact CZ-CD1 4.41Å; F186-L222 HydrophobicContact CD1-CD1 4.03Å; F186-L222 HydrophobicContact CE1-CD1 4.08Å; H189-L222 HydrophobicContact CB-CD1 4.11Å; K218-L222 PolarHBondContact O-N 3.25Å; A219-L222 WeakPolarHBondContact O-CB 3.37Å; A219-L222 PolarHBondContact O-N 3.09Å; F220-L222 PolarHBondContact O-N 3.41Å; F220-L222 VanDerWaalsContact O-N 3.14Å; L222-G224 PolarHBondContact O-N 2.84Å; L222-A225 HydrophobicContact CB-CB 4.43Å; L222-A225 WeakPolarHBondContact O-CB 3.47Å; L222-A225 PolarHBondContact O-N 3.01Å; L222-A225 VanDerWaalsContact O-N 3.09Å
223M92Very high91.8Very high88 Ų8847 Ų4743%0.43328%0.278SS..THydrogen-bonded Turntrans-62.1132.5173.7-166-175.2-48.800110.2F220 A225 V234F220-M223 HydrophobicContact CD1-CE 3.59Å; F220-M223 HydrophobicContact CE1-CE 3.94Å; F220-M223 WeakPolarHBondContact O-CB 3.49Å; F220-M223 PolarHBondContact O-N 3.08Å; F220-M223 VanDerWaalsContact O-N 3.08Å; M223-A225 VanDerWaalsContact C-N 3.3Å; M223-V234 HydrophobicContact CB-CB 4.46Å; M223-V234 WeakPolarHBondContact CE-O 3.47Å
224G91.9Very high92.2Very high33 Ų3347.1 Ų47.134%0.3428%0.279SS..THydrogen-bonded Turntrans83.5-4-174.600000114.8L222 Q231 I232L222-G224 PolarHBondContact O-N 2.84Å; G224-Q231 WeakPolarHBondContact O-CG 3.48Å; G224-I232 WeakPolarHBondContact CA-O 3.5Å; G224-I232 PolarHBondContact N-O 3.21Å
225A93.6Very high92.4Very high27 Ų2749.4 Ų49.422%0.22329%0.286CS..  trans-64.8142.6177.100000112.1F185 L222 M223 L227 Q231 I232F185-A225 HydrophobicContact CE2-CB 4.47Å; F185-A225 HydrophobicContact CZ-CB 3.73Å; L222-A225 HydrophobicContact CB-CB 4.43Å; L222-A225 WeakPolarHBondContact O-CB 3.47Å; L222-A225 PolarHBondContact O-N 3.01Å; L222-A225 VanDerWaalsContact O-N 3.09Å; M223-A225 VanDerWaalsContact C-N 3.3Å; A225-L227 PolarHBondContact O-N 3.01Å; A225-Q231 WeakPolarHBondContact O-CA 3.42Å; A225-I232 HydrophobicContact CB-CD1 4.42Å; A225-I232 HydrophobicContact CB-CG1 4.46Å; A225-I232 PolarHBondContact O-N 2.85Å
226T92.9Very high92.5Very high92 Ų9250 Ų5056%0.56429%0.288SS*.EExtended strand (participates in β ladder)trans-85.2116-174.7-52.40000112.1R230T226-R230 CarbonylContact C-O 3.57Å; T226-R230 VanDerWaalsContact CA-O 3.31Å; T226-R230 WeakPolarHBondContact CA-O 3.34Å
227L90.6Very high92.5Very high19 Ų1950.1 Ų50.110%0.09929%0.289CS..EExtended strand (participates in β ladder)trans-117.6125.8171.1-173.463.9000109.3L173 T177 V182 F185 A225 G229 R230 I232L173-L227 HydrophobicContact CD2-CD2 4.16Å; T177-L227 HydrophobicContact CG2-CD2 3.97Å; T177-L227 HydrophobicContact CG2-CG 4.49Å; V182-L227 HydrophobicContact CG2-CD2 4.24Å; F185-L227 HydrophobicContact CB-CD1 4.16Å; F185-L227 HydrophobicContact CD2-CD1 3.99Å; F185-L227 HydrophobicContact CG-CD1 4.21Å; A225-L227 PolarHBondContact O-N 3.01Å; L227-G229 PolarHBondContact O-N 3.26Å; L227-R230 PolarHBondContact N-O 2.94Å; L227-R230 PolarHBondContact O-N 2.66Å; L227-R230 VanDerWaalsContact O-O 3.11Å; L227-I232 HydrophobicContact CB-CG2 3.65Å; L227-I232 HydrophobicContact CD2-CG2 4.33Å
228N88.9Confident92.4Very high79 Ų7953 Ų5342%0.42230%0.304SS..THydrogen-bonded Turntrans51.527.2-177.4-65.5-25.4000115D174 T177 Q181D174-N228 HydrophobicContact CB-CB 4Å; T177-N228 PolarHBondContact OG1-ND2 3.37Å; Q181-N228 PolarHBondContact OE1-ND2 2.81Å
229G87.1Confident92.2Very high68 Ų6848 Ų4870%0.70129%0.285SS*.THydrogen-bonded Turntrans87.8-0.6-178.900000115.6L227L227-G229 PolarHBondContact O-N 3.26Å
230R90.9Very high91.9Very high82 Ų8248 Ų4831%0.30929%0.285SS..EExtended strand (participates in β ladder)trans-108.5148.6169.6-63.3-166.4-170-156.8-1.7111.4D174 T226 L227D174-R230 HydrophobicContact CB-CG 4.1Å; D174-R230 IonicContact OD1-CZ 2.73Å; D174-R230 IonicContact OD1-NE 3.64Å; D174-R230 PolarHBondContact OD1-NE 3.04Å; D174-R230 IonicContact OD1-NH2 2.71Å; D174-R230 PolarHBondContact OD1-NH2 3.44Å; T226-R230 CarbonylContact C-O 3.57Å; T226-R230 VanDerWaalsContact CA-O 3.31Å; T226-R230 WeakPolarHBondContact CA-O 3.34Å; L227-R230 PolarHBondContact N-O 2.94Å; L227-R230 PolarHBondContact O-N 2.66Å; L227-R230 VanDerWaalsContact O-O 3.11Å
231Q93.7Very high91.6Very high126 Ų12648 Ų4859%0.58929%0.285SS*.EExtended strand (participates in β ladder)trans-83.8122173.7-67.4179.7-18.400110N172 G224 A225N172-Q231 PolarHBondContact ND2-O 3.03Å; G224-Q231 WeakPolarHBondContact O-CG 3.48Å; A225-Q231 WeakPolarHBondContact O-CA 3.42Å
232I94.8Very high91.3Very high1 Ų148 Ų481%0.00527%0.271CS..PPolyproline II helixtrans-77.2140.7-177.672.7-175.6000111.3V170 L173 F185 F186 G224 A225 L227 V234V170-I232 HydrophobicContact CG1-CB 4.04Å; V170-I232 HydrophobicContact CG1-CD1 4.46Å; L173-I232 HydrophobicContact CD2-CG2 3.88Å; F185-I232 HydrophobicContact CD1-CD1 4.21Å; F185-I232 HydrophobicContact CE1-CD1 3.49Å; F185-I232 VanDerWaalsContact CE1-CD1 3.49Å; F185-I232 HydrophobicContact CZ-CD1 3.99Å; F186-I232 HydrophobicContact CE2-CD1 4.34Å; F186-I232 HydrophobicContact CZ-CD1 3.79Å; G224-I232 WeakPolarHBondContact CA-O 3.5Å; G224-I232 PolarHBondContact N-O 3.21Å; A225-I232 HydrophobicContact CB-CD1 4.42Å; A225-I232 HydrophobicContact CB-CG1 4.46Å; A225-I232 PolarHBondContact O-N 2.85Å; L227-I232 HydrophobicContact CB-CG2 3.65Å; L227-I232 HydrophobicContact CD2-CG2 4.33Å; I232-V234 HydrophobicContact CG1-CG2 4.47Å
233M93.6Very high90.8Very high93 Ų9349.5 Ų49.546%0.45828%0.276SS..EExtended strand (participates in β ladder)trans-101.1141.6169.1-73.1176.965.800109.6V170 T171V170-M233 CarbonylContact C-O 3.55Å; V170-M233 VanDerWaalsContact CA-O 3.29Å; V170-M233 WeakPolarHBondContact CA-O 3.35Å; V170-M233 WeakPolarHBondContact CG1-O 3.32Å; T171-M233 PolarHBondContact N-O 3.39Å; T171-M233 PolarHBondContact O-N 3.2Å; T171-M233 WeakPolarHBondContact OG1-CB 3.39Å
234V95.3Very high89.5Confident3 Ų349 Ų492%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-123.8131.6-177.3177.70000109.5I168 F186 F220 M223 I232I168-V234 HydrophobicContact CB-CG1 4.28Å; I168-V234 HydrophobicContact CD1-CG1 4.04Å; I168-V234 HydrophobicContact CG2-CG1 4.2Å; F186-V234 HydrophobicContact CZ-CG2 4.42Å; F220-V234 HydrophobicContact CD1-CG1 4.19Å; F220-V234 HydrophobicContact CE1-CG1 4.1Å; F220-V234 WeakPolarHBondContact CE1-O 3.28Å; F220-V234 HydrophobicContact CE2-CG1 4.42Å; F220-V234 HydrophobicContact CG-CG1 4.39Å; F220-V234 HydrophobicContact CZ-CG1 4.23Å; M223-V234 HydrophobicContact CB-CB 4.46Å; M223-V234 WeakPolarHBondContact CE-O 3.47Å; I232-V234 HydrophobicContact CG1-CG2 4.47Å
235Q94.5Very high87.8Confident91 Ų9152.1 Ų52.143%0.42530%0.302SS..EExtended strand (participates in β ladder)trans-138.5159.1179.8-66-177.8-17.200110.2I168 L169I168-Q235 CarbonylContact C-O 3.53Å; I168-Q235 WeakPolarHBondContact CA-O 3.39Å; I168-Q235 WeakPolarHBondContact CB-O 3.46Å; L169-Q235 HydrophobicContact CB-CB 4.47Å; L169-Q235 PolarHBondContact N-O 3.14Å; L169-Q235 PolarHBondContact O-N 3.49Å
236H94.1Very high85.4Confident18 Ų1855.2 Ų55.28%0.08332%0.315CS..EExtended strand (participates in β ladder)trans-69.5143.4169.8-69.2-60.1000110.4P147 L148 Y149 P150 F220P147-H236 PolarHBondContact O-NE2 3.33Å; L148-H236 PolarHBondContact O-CD2 2.75Å; Y149-H236 HydrophobicContact CD1-CB 4.39Å; Y149-H236 AromaticContact CD1-CD2 3.97Å; Y149-H236 AromaticContact CD1-CE1 3.48Å; Y149-H236 VanDerWaalsContact CD1-CE1 3.48Å; Y149-H236 WeakPolarHBondContact CD1-CE1 3.5Å; Y149-H236 AromaticContact CD1-CG 3.7Å; Y149-H236 AromaticContact CD1-ND1 3.4Å; Y149-H236 WeakPolarHBondContact CD1-ND1 3.3Å; Y149-H236 AromaticContact CD1-NE2 3.84Å; Y149-H236 AromaticContact CE1-CE1 3.14Å; Y149-H236 WeakPolarHBondContact CE1-CE1 3.33Å; Y149-H236 AromaticContact CE1-CG 3.96Å; Y149-H236 AromaticContact CE1-ND1 3.15Å; Y149-H236 WeakPolarHBondContact CE1-ND1 3.44Å; Y149-H236 AromaticContact CE1-NE2 3.93Å; Y149-H236 AromaticContact CZ-CE1 3.72Å; P150-H236 HydrophobicContact CG-CB 4.1Å; F220-H236 AromaticContact CE2-CE1 3.24Å; F220-H236 WeakPolarHBondContact CE2-CE1 3.46Å; F220-H236 AromaticContact CE2-ND1 3.53Å; F220-H236 AromaticContact CE2-NE2 3.7Å; F220-H236 AromaticContact CZ-CD2 3.88Å; F220-H236 AromaticContact CZ-CE1 3.65Å; F220-H236 AromaticContact CZ-CG 3.93Å; F220-H236 AromaticContact CZ-ND1 3.79Å; F220-H236 AromaticContact CZ-NE2 3.69Å
237S92.9Very high82.7Confident3 Ų356.6 Ų56.62%0.02132%0.319CS..  trans-79.7148.4169.3-164.70000112.1I164 T167 Y207 C239I164-S237 WeakPolarHBondContact CG2-O 3.32Å; T167-S237 WeakPolarHBondContact O-CB 3.4Å; T167-S237 PolarHBondContact O-N 3.03Å; Y207-S237 WeakPolarHBondContact CD1-OG 3.4Å; Y207-S237 WeakPolarHBondContact CE1-OG 3.37Å; S237-C239 PolarHBondContact OG-N 3.24Å; S237-C239 PolarHBondContact OG-O 3.35Å
238N90.3Very high80.5Confident86 Ų8659.8 Ų59.846%0.4634%0.339SS..SBendtrans-92.3-12.4164.6-68.5-23.8000112.3P150P150-N238 WeakPolarHBondContact CB-OD1 3.43Å; P150-N238 WeakPolarHBondContact CG-OD1 3.07Å
239C87.9Confident78Confident14 Ų1460.5 Ų60.510%0.09536%0.356CS..SBendtrans-137.9132.2-169.3-55.10000110.2S237 M548 D549S237-C239 PolarHBondContact OG-N 3.24Å; S237-C239 PolarHBondContact OG-O 3.35Å; C239-M548 HydrophobicContact CB-CE 3.59Å; C239-M548 WeakPolarHBondContact O-CE 3.34Å; C239-D549 WeakPolarHBondContact CB-O 3.26Å; C239-D549 PolarHBondContact SG-O 3.06Å
240A87.1Confident75.6Confident1 Ų164.1 Ų64.11%0.00836%0.356CS..  trans-84.6154.5175.900000111.4R160 E163 I164 I242R160-A240 VanDerWaalsContact CZ-CB 3.41Å; R160-A240 PolarHBondContact NH2-O 2.93Å; E163-A240 HydrophobicContact CB-CB 3.6Å; I164-A240 HydrophobicContact CB-CB 4.46Å; I164-A240 HydrophobicContact CG1-CB 3.72Å; A240-I242 PolarHBondContact O-N 2.86Å
241I88.2Confident73.4Confident4 Ų465.4 Ų65.42%0.02137%0.368CS..BIsolated β-bridgetrans-64.9131.2179.4-66.9173.7000109.4R160 T167 R196 E209 K243R160-I241 PolarHBondContact NH1-O 2.7Å; R160-I241 PolarHBondContact NH2-O 2.85Å; T167-I241 HydrophobicContact CG2-CD1 4.45Å; T167-I241 HydrophobicContact CG2-CG1 4.32Å; R196-I241 HydrophobicContact CB-CD1 3.97Å; R196-I241 HydrophobicContact CB-CG1 4.22Å; R196-I241 HydrophobicContact CB-CG2 4.27Å; E209-I241 HydrophobicContact CB-CD1 4.02Å; I241-K243 PolarHBondContact O-N 3.18Å
242I84.9Confident71.1Confident54 Ų5463.2 Ų63.228%0.27736%0.361SS..  trans-77.2107.8166.1-55.2-173.5000107.3A240 D547 D549A240-I242 PolarHBondContact O-N 2.86Å; I242-D547 HydrophobicContact CB-CB 4.08Å; I242-D547 VanDerWaalsContact CB-O 3.29Å; I242-D547 WeakPolarHBondContact CB-O 3.22Å; I242-D547 WeakPolarHBondContact CG1-O 3.43Å; I242-D547 PolarHBondContact N-O 3.25Å; I242-D549 WeakPolarHBondContact CD1-OD1 3.31Å; I242-D549 HydrophobicContact CG1-CB 4.49Å
243K80.9Confident68.7Low58 Ų5868.9 Ų68.925%0.25239%0.387SS..  trans-70.6124.6174.6-70.7138.7-167.6168.20108.7E163 E209 I241 A245E163-K243 VanDerWaalsContact CD-NZ 3.3Å; E163-K243 IonicContact OE1-NZ 2.81Å; E163-K243 PolarHBondContact OE1-NZ 2.87Å; E209-K243 IonicContact OE1-NZ 3.21Å; E209-K243 PolarHBondContact OE1-NZ 3.09Å; E209-K243 WeakPolarHBondContact OE2-CE 3.44Å; E209-K243 IonicContact OE2-NZ 2.7Å; E209-K243 PolarHBondContact OE2-NZ 2.79Å; I241-K243 PolarHBondContact O-N 3.18Å; K243-A245 PolarHBondContact O-N 2.85Å
244P65.1Low66.4Low77 Ų7768.3 Ų68.350%0.539%0.389SS..  trans-59.6128.617026.4-32.9000107.9N246 V538P244-N246 PolarHBondContact O-N 2.86Å; P244-V538 HydrophobicContact CG-CG1 4.36Å
245A55.6Low64.3Low98 Ų9871.2 Ų71.281%0.8141%0.41SS*.  trans-60.898.6-172.500000110.8K243K243-A245 PolarHBondContact O-N 2.85Å
246N44.3Very low62.3Low92 Ų9273.4 Ų73.449%0.49242%0.418SS..  trans-68.6134.9-176-164.13000109.3P244 V248P244-N246 PolarHBondContact O-N 2.86Å; N246-V248 HydrophobicContact CB-CG2 4.23Å; N246-V248 PolarHBondContact O-N 2.95Å
247N35.5Very low60.2Low121 Ų12180.8 Ų80.865%0.64745%0.445SS*.THydrogen-bonded Turntrans-72.117.9-166.5-79.1-66.1000115A249 M250N247-A249 PolarHBondContact O-N 2.82Å; N247-M250 PolarHBondContact O-N 3.03Å
248V44.3Very low58.1Low87 Ų8784.6 Ų84.653%0.52747%0.472SS..Hα-helixtrans-57.8-31.8179-168.30000111.7N246 M250 L251 D252N246-V248 HydrophobicContact CB-CG2 4.23Å; N246-V248 PolarHBondContact O-N 2.95Å; V248-M250 PolarHBondContact O-N 2.96Å; V248-M250 VanDerWaalsContact O-N 3.09Å; V248-L251 PolarHBondContact O-N 2.97Å; V248-D252 PolarHBondContact O-N 3.39Å
249A37.1Very low56.2Low93 Ų9384.4 Ų84.477%0.76948%0.482SS*.Hα-helixtrans-62.4-12.5175.300000115N247N247-A249 PolarHBondContact O-N 2.82Å
250M37.3Very low54.4Low144 Ų14489.2 Ų89.271%0.70951%0.511SS*.Hα-helixtrans-98.4-17.7171.1-87.8-73.3-156.700113.7N247 V248 T254N247-M250 PolarHBondContact O-N 3.03Å; V248-M250 PolarHBondContact O-N 2.96Å; V248-M250 VanDerWaalsContact O-N 3.09Å; M250-T254 PolarHBondContact O-OG1 3.41Å
251L43.7Very low52.5Low109 Ų10995.3 Ų95.357%0.57154%0.543SS*.Hα-helixtrans-91-28.9-176.1-80.2164.9000113.2V248 T254 S255V248-L251 PolarHBondContact O-N 2.97Å; L251-T254 WeakPolarHBondContact CA-OG1 3.29Å; L251-T254 PolarHBondContact O-OG1 2.83Å; L251-T254 VanDerWaalsContact O-OG1 3.09Å; L251-S255 VanDerWaalsContact O-CB 3.27Å; L251-S255 WeakPolarHBondContact O-CB 3.39Å; L251-S255 PolarHBondContact O-N 3.16Å; L251-S255 PolarHBondContact O-OG 3.45Å
252D46Very low50.3Low81 Ų81103.4 Ų103.443%0.43358%0.581SS.*Hα-helixtrans-73.3-39.6179.2-165.744.4000112.8V248 T254 K256V248-D252 PolarHBondContact O-N 3.39Å; D252-T254 PolarHBondContact O-N 3.39Å; D252-K256 WeakPolarHBondContact O-CB 3.5Å; D252-K256 WeakPolarHBondContact O-CG 3.5Å; D252-K256 PolarHBondContact O-N 2.89Å; D252-K256 IonicContact OD1-NZ 3.59Å; D252-K256 PolarHBondContact OD1-NZ 3.09Å; D252-K256 IonicContact OD2-NZ 2.86Å; D252-K256 PolarHBondContact OD2-NZ 2.88Å
253E43.5Very low48.3Very low119 Ų119110 Ų11056%0.55661%0.611SS**Hα-helixtrans-69.5-19.5176.3-123.8-95.693.900113.1R257E253-R257 VanDerWaalsContact CD-NH2 3.34Å; E253-R257 VanDerWaalsContact O-CD 3.29Å; E253-R257 WeakPolarHBondContact O-CD 3.13Å; E253-R257 WeakPolarHBondContact O-CG 3.3Å; E253-R257 PolarHBondContact O-NE 3.06Å; E253-R257 IonicContact OE1-CZ 3.72Å; E253-R257 IonicContact OE1-NE 3.24Å; E253-R257 PolarHBondContact OE1-NE 2.93Å; E253-R257 IonicContact OE1-NH2 2.73Å; E253-R257 PolarHBondContact OE1-NH2 3.29Å; E253-R257 IonicContact OE2-NH2 2.64Å; E253-R257 PolarHBondContact OE2-NH2 3.49Å
254T46.3Very low46.6Very low82 Ų82111 Ų11150%0.50363%0.629SS.*Hα-helixtrans-92-43174.143.60000111.8M250 L251 D252 K256 R257M250-T254 PolarHBondContact O-OG1 3.41Å; L251-T254 WeakPolarHBondContact CA-OG1 3.29Å; L251-T254 PolarHBondContact O-OG1 2.83Å; L251-T254 VanDerWaalsContact O-OG1 3.09Å; D252-T254 PolarHBondContact O-N 3.39Å; T254-K256 PolarHBondContact O-N 2.98Å; T254-R257 PolarHBondContact O-N 3.3Å; T254-R257 VanDerWaalsContact O-N 3.11Å
255S51.9Low45.4Very low63 Ų63112.6 Ų112.644%0.44164%0.643SS.*Hα-helixtrans-65.3-36.6178.9-54.90000112.8L251 R257 S258L251-S255 VanDerWaalsContact O-CB 3.27Å; L251-S255 WeakPolarHBondContact O-CB 3.39Å; L251-S255 PolarHBondContact O-N 3.16Å; L251-S255 PolarHBondContact O-OG 3.45Å; S255-R257 PolarHBondContact O-N 3Å; S255-S258 PolarHBondContact O-N 3.27Å; S255-S258 PolarHBondContact O-OG 3.11Å
256K51.7Low44.8Very low138 Ų138114 Ų11460%0.665%0.646SS**Hα-helixtrans-71.9-1.6174.9-72.3-178.9163.396.90114.3D252 T254D252-K256 WeakPolarHBondContact O-CB 3.5Å; D252-K256 WeakPolarHBondContact O-CG 3.5Å; D252-K256 PolarHBondContact O-N 2.89Å; D252-K256 IonicContact OD1-NZ 3.59Å; D252-K256 PolarHBondContact OD1-NZ 3.09Å; D252-K256 IonicContact OD2-NZ 2.86Å; D252-K256 PolarHBondContact OD2-NZ 2.88Å; T254-K256 PolarHBondContact O-N 2.98Å
257R49.3Very low45Very low173 Ų173116.2 Ų116.265%0.65366%0.663SS**Hα-helixtrans-106.3-12174.1-65178.4-175.4-138.810113.9E253 T254 S255E253-R257 VanDerWaalsContact CD-NH2 3.34Å; E253-R257 VanDerWaalsContact O-CD 3.29Å; E253-R257 WeakPolarHBondContact O-CD 3.13Å; E253-R257 WeakPolarHBondContact O-CG 3.3Å; E253-R257 PolarHBondContact O-NE 3.06Å; E253-R257 IonicContact OE1-CZ 3.72Å; E253-R257 IonicContact OE1-NE 3.24Å; E253-R257 PolarHBondContact OE1-NE 2.93Å; E253-R257 IonicContact OE1-NH2 2.73Å; E253-R257 PolarHBondContact OE1-NH2 3.29Å; E253-R257 IonicContact OE2-NH2 2.64Å; E253-R257 PolarHBondContact OE2-NH2 3.49Å; T254-R257 PolarHBondContact O-N 3.3Å; T254-R257 VanDerWaalsContact O-N 3.11Å; S255-R257 PolarHBondContact O-N 3Å
258S49.6Very low45.1Very low83 Ų83114.1 Ų114.158%0.5867%0.67SS**Hα-helixtrans-92.8-19.1175.145.20000114S255 T260S255-S258 PolarHBondContact O-N 3.27Å; S255-S258 PolarHBondContact O-OG 3.11Å; S258-T260 VanDerWaalsContact C-N 3.35Å; S258-T260 PolarHBondContact O-N 2.95Å
259A50.6Low44.8Very low81 Ų81113.7 Ų113.767%0.66968%0.683SS**THydrogen-bonded Turntrans-85.16.2-173.500000115.6
260T49.9Very low44.9Very low116 Ų116118.3 Ų118.371%0.71269%0.689SS**THydrogen-bonded Turntrans-126.915.7-169.350.10000114.8S258S258-T260 VanDerWaalsContact C-N 3.35Å; S258-T260 PolarHBondContact O-N 2.95Å
261N45.9Very low45.1Very low129 Ų129117.6 Ų117.669%0.6970%0.698SS**  trans-134.732.7179.5-16180.4000114Q263N261-Q263 VanDerWaalsContact C-N 3.28Å; N261-Q263 PolarHBondContact O-N 2.79Å
262E42.3Very low45.1Very low174 Ų174117.2 Ų117.281%0.81370%0.704SS**  trans-90.645.9173.3-75.3-66.815900111.7
263Q43.9Very low44.9Very low192 Ų192122.8 Ų122.890%0.89773%0.725SS**SBendtrans-160.549.9-178.1-138.2165.789.900116.3N261N261-Q263 VanDerWaalsContact C-N 3.28Å; N261-Q263 PolarHBondContact O-N 2.79Å
264A45.3Very low44.8Very low78 Ų78124.5 Ų124.565%0.64574%0.738SS**  trans-154.9147.9168.700000115.6
265S39.8Very low44.7Very low112 Ų112125.7 Ų125.778%0.78375%0.749SS**  trans55.283.4157.256.30000119V267S265-V267 PolarHBondContact O-N 3.18Å
266S42.8Very low44.3Very low126 Ų126129.4 Ų129.488%0.88176%0.764SS**  trans-78.797.5154.542.30000111.8
267V47.5Very low43.7Very low139 Ų139134.6 Ų134.684%0.84278%0.78SS**  trans-141130.3160.7-174.60000109S265S265-V267 PolarHBondContact O-N 3.18Å
268G38.1Very low43.3Very low78 Ų78137.6 Ų137.680%0.80479%0.791SS**  trans-86166.5-178.700000114.5
269G37.8Very low42.7Very low77 Ų77145.6 Ų145.679%0.79481%0.809SS**  trans-178.3105.117400000112.7
270H40.8Very low42Very low191 Ų191146.8 Ų146.888%0.88481%0.812SS**  trans-82.6143.6178.6-58-94.8000112.1
271S40.8Very low41.4Very low129 Ų129153.1 Ų153.190%0.90282%0.823SS**  -179.9162.9119.445.90000111.8
272S42.5Very low41Very low101 Ų101152.2 Ų152.271%0.70683%0.827SS**  trans-109.1156.3-169.656.10000113.2
273K42.4Very low40.9Very low198 Ų198156.1 Ų156.186%0.86183%0.834SS**  -171.4145.3126.5-101.6150.1-171.1171.70115.3
274N42.6Very low40.6Very low155 Ų155151 Ų15183%0.82982%0.819SS**  trans-43.6169.1166.5-48.7-17.1000114.2
275S43.9Very low40.4Very low106 Ų106158.7 Ų158.774%0.74183%0.831SS**  cis-157.6165.422.260.60000114.6
276D43.2Very low40.3Very low142 Ų142157.9 Ų157.976%0.75983%0.832SS**  trans-52.4154.3166.1-50.5-104000114.7
277R39.4Very low40.2Very low246 Ų246163.5 Ų163.593%0.92883%0.834SS**  -174145.3102.1-98.7159.8-175.2178.11.5115.1
278R40.3Very low39.6Very low237 Ų237168.4 Ų168.489%0.89484%0.837SS**  trans-75.6143.5170.6-48.8172.9-176.6-171-0.6110.5
279R36.2Very low39.6Very low250 Ų250169.2 Ų169.294%0.94383%0.831SS**  179.9151.7115.5-102.5169.9172.3155.7-1113.7
280S37Very low39.5Very low106 Ų106177.4 Ų177.474%0.74184%0.837SS**  trans-93.5149.8173.749.40000112
281R37.3Very low39.4Very low250 Ų250174.1 Ų174.194%0.94384%0.836SS**  trans-171145.4135.9-107.3161.7179.3143.50.2111.8
282S37.8Very low39.2Very low110 Ų110179.6 Ų179.677%0.76984%0.837SS**  trans-92.8149.1-178.142.10000112.1
283R38.7Very low39Very low256 Ų256186.6 Ų186.697%0.96685%0.848SS**  trans-163.2154.4151.7-108.1150.3-170.3177.51.8112.8
284S39.5Very low38.7Very low83 Ų83188.9 Ų188.958%0.5885%0.851SS**  trans-107.4168.5-157.463.20000115
285R39.6Very low38.5Very low240 Ų240186.9 Ų186.991%0.90685%0.849SS**  trans79103152.3-61.4156.1-179.1159.4-1.8119.9
286A39Very low38.2Very low96 Ų96187.9 Ų187.979%0.79385%0.851SS**  -174.8133.5129.700000107.6
287R39.4Very low38Very low244 Ų244186.5 Ų186.592%0.92185%0.852SS**  cis60.380.640-72.7-166.7178.1-176.81.5115.7
288R35.6Very low38.1Very low242 Ų242185.8 Ų185.891%0.91385%0.849SS**  -171.4135125.2-114.4174.6172.3146.4-3.4118
289S38.2Very low37.8Very low95 Ų95183.7 Ų183.766%0.66484%0.842SS**  trans33.5117142.355.80000123.8
290R35.2Very low38Very low249 Ų249182.1 Ų182.194%0.9484%0.837SS**  30.5130.1120.5-69.2-179.2170.4124.1-1.4119.8
291S38.9Very low38Very low121 Ų121187 Ų18785%0.84684%0.839SS**  trans-140.2160.3137.273.50000111.4
292R36.1Very low38.1Very low244 Ų244180.7 Ų180.792%0.92183%0.834SS**  trans-122136.2170.9-74.6172.5167.8164.6-7.1107.5
293R39.9Very low37.9Very low249 Ų249187.1 Ų187.194%0.9484%0.841SS**  trans-141.2153.7156-72.7-160.9173.2-151.6-3111.3
294R34.2Very low37.9Very low245 Ų245181 Ų18193%0.92584%0.838SS**  trans-125.1133.5176.6-85.9177164.2170.9-7.4108.4
295S40.1Very low37.7Very low113 Ų113186.8 Ų186.879%0.7985%0.847SS**  trans-168.7122.3166.742.70000106.5
296T36.6Very low37.9Very low127 Ų127179.7 Ų179.778%0.77983%0.827SS**  cis100.574.926.7-54.30000113.8
297S39.8Very low37.7Very low113 Ų113184 Ų18479%0.7982%0.822SS**  trans-171.7132.6150.344.30000106.5
298R39.9Very low37.7Very low231 Ų231182.5 Ų182.587%0.87282%0.817SS**  cis95.895.932.1-75.7-168.7172.9-175.40.5114.7
299R34.3Very low37.8Very low194 Ų194182.6 Ų182.673%0.73282%0.817SS**  trans70.6115134.8179.5-165.7-72.3-178.2-4.5119.3
300Y41Very low37.9Very low216 Ų216183.6 Ų183.685%0.84782%0.824SS**  -159.6131.7119.5-87.6-79.9000105.2
301R37.6Very low37.9Very low208 Ų208179.1 Ų179.179%0.78581%0.814SS**  55.9127.964.3-74.4-175.4175.5172-3.1111.5
302S39Very low37.8Very low119 Ų119176.6 Ų176.683%0.83280%0.796SS**  cis-147.6-178.133.7-70.50000115.2
303R34Very low37.9Very low245 Ų245175 Ų17593%0.92579%0.79SS**  trans-85.6154.3176.8-56.7161.2170.8152.3-9.1112.1
304S39.1Very low37.6Very low128 Ų128170.8 Ų170.890%0.89578%0.781SS**  trans-146.3161.5148.4-174.80000109.1
305R35.1Very low37.6Very low204 Ų204162.5 Ų162.577%0.7776%0.761SS**  trans-165.5121.9-172.1134.9-85.7-152.8-167.45112.7
306D42Very low37.4Very low91 Ų91167.3 Ų167.349%0.48776%0.761SS.*  trans-160.1-170.7152.9-153.642.1000114.1R308D306-R308 IonicContact OD2-CZ 2.71Å; D306-R308 VanDerWaalsContact OD2-CZ 3.24Å; D306-R308 IonicContact OD2-NE 3.88Å; D306-R308 PolarHBondContact OD2-NE 2.78Å; D306-R308 IonicContact OD2-NH2 2.74Å; D306-R308 PolarHBondContact OD2-NH2 3.37Å
307R35.2Very low37.6Very low185 Ų185165.7 Ų165.770%0.69875%0.748SS**  -153.2-3.4-129.9-80.7148.584.4-134.68.6121.3R309R307-R309 WeakPolarHBondContact O-CB 3.29Å
308R40.2Very low37.3Very low214 Ų214168.6 Ų168.681%0.80874%0.742SS**  trans-78.1136-174.9-35.898.7-158.5-109.31111.4D306D306-R308 IonicContact OD2-CZ 2.71Å; D306-R308 VanDerWaalsContact OD2-CZ 3.24Å; D306-R308 IonicContact OD2-NE 3.88Å; D306-R308 PolarHBondContact OD2-NE 2.78Å; D306-R308 IonicContact OD2-NH2 2.74Å; D306-R308 PolarHBondContact OD2-NH2 3.37Å
309R37Very low37.2Very low243 Ų243167.5 Ų167.592%0.91774%0.737SS**  cis73.895.8-4-157.5-177.4-171.9-126.53.6119.1R307R307-R309 WeakPolarHBondContact O-CB 3.29Å
310S40.6Very low37.3Very low116 Ų116168.9 Ų168.981%0.81174%0.743SS**  trans-147.1154.3165.5-650000108.2
311H35.5Very low37.4Very low156 Ų156162.5 Ų162.572%0.72273%0.729SS**  cis-153.1168.9-27.6-166.868.7000108.6
312S35.8Very low37.8Very low68 Ų68158 Ų15848%0.47673%0.728SS.*  trans-43.1165.7177.772.30000117.2
313R38.5Very low38.2Very low210 Ų210157.9 Ų157.979%0.79272%0.722SS**  -171.313453.9-119.5153.7-115.8-149.41.3107.3
314H34.4Very low38.3Very low160 Ų160153.9 Ų153.974%0.74171%0.714SS**  90.3115.779.2-173.181000115.7
315S34.8Very low38.4Very low72 Ų72151.8 Ų151.850%0.50370%0.699SS.*  trans79138.4146.2-80.70000124.2
316R35.5Very low38.5Very low213 Ų213153.6 Ų153.680%0.80471%0.705SS**  trans70.4154.5139.2-70.6179.7-176.5168-1117.8
317D39.8Very low38.2Very low93 Ų93154 Ų15450%0.49772%0.716SS.*  cis-161.4150.2-14.2-118.3-35.4000110.5
318R34.5Very low38.3Very low175 Ų175156.9 Ų156.966%0.6673%0.727SS**  trans58.8137.9137.2-69.5161.9-153.9-165.75.7124.3
319R38Very low38Very low208 Ų208151.8 Ų151.879%0.78572%0.724SS**  trans74.9154.2140.4-66.7162.5-168.3-141.1-1.6116.5
320R36.4Very low38.1Very low223 Ų223152.4 Ų152.484%0.84273%0.726SS**  cis-157.9175.9-4.7-119.8-176.8151.7-159.5-8.8108.2
321S43.3Very low37.7Very low81 Ų81150 Ų15057%0.56672%0.719SS**  cis-138.9-71.60.3-118.90000114.2
322P44.4Very low37.6Very low115 Ų115149.9 Ų149.975%0.74772%0.719SS**  trans-139.3-176.8-156.443.9-21.8000114.7
323T47.6Very low37.5Very low116 Ų116156.3 Ų156.371%0.71273%0.733SS**  cis-132.5-175.54.6620000108.3
324Q37.6Very low37.3Very low161 Ų161155.2 Ų155.275%0.75274%0.736SS**  cis-153.1162.3-4.3-144.9157.3-86.900110.3
325S41.2Very low37.3Very low83 Ų83159.3 Ų159.358%0.5875%0.745SS**  trans17.1141.8151.558.60000121.6
326R36.4Very low37.2Very low242 Ų242162 Ų16291%0.91376%0.759SS**  cis-160.2158.518.8-126.7159.3-169.4155.2-0.5111.9
327S35.1Very low37.1Very low101 Ų101163.9 Ų163.971%0.70677%0.766SS**  trans-84156.3-179.251.90000113.9
328R37.5Very low36.8Very low245 Ų245164.6 Ų164.693%0.92578%0.778SS**  -173.6151.2111-98.2158-178.5169.70113.3
329S33.5Very low36.9Very low107 Ų107168.3 Ų168.375%0.74879%0.792SS**  trans-103.7141.9-178.545.60000112.2
330R38.9Very low36.8Very low256 Ų256163.3 Ų163.397%0.96679%0.789SS**  trans174.7152162.3-89.8139.6-171.6-164.32.1106.2
331G33.2Very low37Very low65 Ų65164.5 Ų164.567%0.6779%0.794SS**  cis148.2133.3-5.400000112
332H33.7Very low36.7Very low154 Ų154165.5 Ų165.571%0.71379%0.793SS**  trans72.6120.9162.3-71.1-50.7000123
333R33Very low36.5Very low203 Ų203171.6 Ų171.677%0.76680%0.802SS**  73.8129122.2-68.9172.6173.7148.4-3.4121
334H34.5Very low36Very low187 Ų187175.7 Ų175.787%0.86681%0.805SS**  trans-34.8143.8151.5-31.4-100.1000114.3
335R33.8Very low35.9Very low245 Ų245179.4 Ų179.493%0.92581%0.812SS**  trans-146.1137135.1-146.5165.8-170.9160.42.1111.9
336T33.7Very low35.7Very low130 Ų130179.6 Ų179.680%0.79881%0.813SS**  trans-67.3150.7173.944.20000111.3
337R33.6Very low35.6Very low252 Ų252174.8 Ų174.895%0.95181%0.806SS**  trans-145.3110.4146.2-151.9162.5-166149.83.9111.4
338S31.9Very low35.5Very low108 Ų108177.8 Ų177.876%0.75581%0.808SS**  trans-77149.8174.740.70000111.3
339R37.9Very low35.4Very low253 Ų253169.9 Ų169.996%0.95580%0.796SS**  trans-146.5110.6150.7-112.8171.8-177.9164-0.1108.7
340S34.9Very low35.6Very low103 Ų103176.1 Ų176.172%0.7280%0.803SS**  trans-83.3152.3-179.341.70000111.6
341R40.3Very low35.6Very low248 Ų248168 Ų16894%0.93679%0.785SS**  trans-156.6102.4143.6-113.5173-175.8175.10.5109.1
342D37.1Very low35.9Very low101 Ų101175.6 Ų175.654%0.5479%0.794SS.*  trans-55.7153.3162.4-56.9-122.3000110.3R344D342-R344 IonicContact OD1-NE 4Å
343Y41.3Very low36.3Very low243 Ų243173.1 Ų173.195%0.95379%0.794SS**  -147.2159.4110.1-103.2-74.6000109.5
344R36.8Very low36.6Very low203 Ų203170.9 Ų170.977%0.76679%0.792SS**  trans-113.6179.7-162.9-57175.8179.4176.9-2.7111.6D342D342-R344 IonicContact OD1-NE 4Å
345R36.2Very low37.1Very low239 Ų239166.5 Ų166.590%0.90277%0.774SS**  trans74.3157161-76.9-177.9172.4179.9-2.9116.2
346S35.4Very low37.4Very low87 Ų87163.8 Ų163.861%0.60876%0.764SS**  cis-173.7152.3-31.9-123.60000109.7
347D34.5Very low37.8Very low141 Ų141165.1 Ų165.175%0.75476%0.759SS**  trans66158.7146.5-72.3-75.5000122.9
348H34Very low38Very low163 Ų163160 Ų16076%0.75574%0.744SS**  trans82.185.9149.7-113.877.1000123.3
349A35.8Very low38.2Very low80 Ų80161.9 Ų161.966%0.66174%0.74SS**  trans-18.5137.714500000120.5
350R37.3Very low38Very low237 Ų237160.1 Ų160.189%0.89473%0.733SS**  trans165.3155.1137.7-92.1157.9176.4-170.80.1109.1
351S39.7Very low38Very low86 Ų86164 Ų16460%0.60174%0.74SS**  cis-170-179.1-27.161.80000109
352R38.8Very low37.7Very low224 Ų224155.5 Ų155.585%0.84572%0.718SS**  trans74.4109176.6-57.1172.6171.8123.2-4.5114.5
353S42.5Very low37.6Very low102 Ų102161.6 Ų161.671%0.71373%0.734SS**  72.1123.665.577.60000113.4
354H38.9Very low37.3Very low157 Ų157154.7 Ų154.773%0.72772%0.721SS**  -147.5133.962.2-139.675.6000110.8
355N45.1Very low37.2Very low94 Ų94153.9 Ų153.950%0.50373%0.726SS.*  53.4133.683.4-91.2-34.5000113.9
356R39.9Very low37.3Very low189 Ų189147 Ų14771%0.71371%0.714SS**  cis-15214115.3-98.9154.9-170.5-160.22.6110.9
357K41.6Very low37.5Very low158 Ų158146.9 Ų146.969%0.68771%0.713SS**  60.2141.193.4-57.6-174-166.9176.30115
358K37.4Very low37.6Very low145 Ų145150.8 Ų150.863%0.6372%0.717SS**  cis-170.1156.6-3.6-117.8-179.3170.9-165.90111.9
359H36.3Very low37.7Very low146 Ų146154.1 Ų154.168%0.67672%0.723SS**  trans63.7128.1145.3-65.6-15.5000121.3
360R34.3Very low37.6Very low216 Ų216158.8 Ų158.882%0.81573%0.725SS**  52.3125.194.6-54.1174.6175.4-173.2-1.2113.1
361H34.3Very low37.6Very low186 Ų186151.3 Ų151.386%0.86171%0.709SS**  -159.3-152.664.3-171.148.8000112.3
362S35.4Very low37.3Very low69 Ų69156.7 Ų156.748%0.48372%0.716SS.*  trans-129156.9-158.770.30000116.7
363R33.8Very low37.1Very low228 Ų228150.6 Ų150.686%0.8671%0.708SS**  trans77.9150.3151-74.7171.8171.5166.4-2.6120.3
364S34.6Very low36.7Very low98 Ų98157 Ų15769%0.68572%0.717SS**  trans63.6118.4151.646.70000121.4
365H34.7Very low36.6Very low187 Ų187154.8 Ų154.887%0.86672%0.719SS**  trans74.5154.1136.2-74.839.3000117
366S38.9Very low36.5Very low93 Ų93160.8 Ų160.865%0.6574%0.74SS**  cis-162.5144.7-18.8177.90000111.1
367S38.9Very low36.3Very low85 Ų85155.2 Ų155.259%0.59474%0.742SS**  trans67145.8151.780.90000120.9
368R36.9Very low36.1Very low223 Ų223156.9 Ų156.984%0.84275%0.752SS**  trans68.6148153.3-65.6160.9-174.9-170.32.5116.7
369R37.4Very low36.3Very low233 Ų233162.1 Ų162.188%0.87977%0.767SS**  cis-165.1169.8-24.5-124.4-178.3-172.8-177.91.9108.2
370Y33.2Very low36.6Very low178 Ų178158.4 Ų158.470%0.69877%0.769SS**  trans75.276146.8-159-109.3000121.9R372Y370-R372 PolarHBondContact OH-NH1 2.92Å
371S37Very low37.1Very low81 Ų81153.1 Ų153.157%0.56676%0.757SS**  76168.2116.988.50000123.2
372R34Very low37.7Very low198 Ų198151.7 Ų151.775%0.74775%0.75SS**  trans71.379.8160-80.3-178.3159.9117-6.8120.1Y370Y370-R372 PolarHBondContact OH-NH1 2.92Å
373S34.6Very low38.3Very low97 Ų97158.7 Ų158.768%0.67877%0.766SS**  50115.5115.763.30000120.8
374R34.7Very low39.1Very low236 Ų236153.6 Ų153.689%0.89176%0.756SS**  -176132.8107.3-99162.4175.8169.5-3.1113.6
375S35.7Very low39.7Very low110 Ų110156.1 Ų156.177%0.76975%0.75SS**  trans29.792.5143.3-45.20000120.9
376K42.8Very low40.5Very low220 Ų220154.3 Ų154.396%0.95774%0.742SS**  trans171.4142.9149.7-96.8156.3-176.5179.50107.5
377G35.3Very low41Very low72 Ų72154.3 Ų154.374%0.74274%0.735SS**  cis-175.9164.5-6.800000108.9R379G377-R379 PolarHBondContact O-N 3.04Å
378H37.7Very low41.6Very low193 Ų193158.9 Ų158.989%0.89474%0.739SS**  trans-57.8128.6-175.9-84.3-89.2000114
379R42.8Very low42.3Very low255 Ų255153.5 Ų153.596%0.96273%0.727SS**  trans174.7109.5141.3-94.1149.9-168.2-154.82.6110.1G377G377-R379 PolarHBondContact O-N 3.04Å
380G41.6Very low43.3Very low68 Ų68145.9 Ų145.970%0.70171%0.706SS**  trans-179.7-41.2176.100000117.6H382G380-H382 VanDerWaalsContact C-N 3.26Å; G380-H382 PolarHBondContact O-N 2.95Å
381D44.5Very low44.2Very low106 Ų106145.3 Ų145.357%0.56770%0.703SS**THydrogen-bonded Turntrans-78.733.8-160.8-166.141.6000117.2R385D381-R385 IonicContact OD2-CZ 3.63Å; D381-R385 IonicContact OD2-NH1 2.77Å; D381-R385 PolarHBondContact OD2-NH1 2.88Å
382H47.9Very low45Very low156 Ų156146.9 Ų146.972%0.72270%0.701SS**THydrogen-bonded Turntrans-116.5-17.2179.7-79.1-64.7000115.8G380G380-H382 VanDerWaalsContact C-N 3.26Å; G380-H382 PolarHBondContact O-N 2.95Å
383R46.3Very low46Very low216 Ų216145.9 Ų145.982%0.81570%0.698SS**Hα-helixtrans-83.1-31.5-179.5-76.8-174.6171.2174.8-2.2114.2
384D51.4Low47.2Very low121 Ų121145.1 Ų145.165%0.64769%0.686SS**Hα-helixtrans-80.8-22-177-71.8-46.7000114.4R388D384-R388 PolarHBondContact O-N 3.3Å
385R47.8Very low48.2Very low151 Ų151142 Ų14257%0.5767%0.674SS**Hα-helixtrans-64.7-48.6172.4-86.1-17517090.4-5.3112D381 N387 R388 N389D381-R385 IonicContact OD2-CZ 3.63Å; D381-R385 IonicContact OD2-NH1 2.77Å; D381-R385 PolarHBondContact OD2-NH1 2.88Å; R385-N387 VanDerWaalsContact C-N 3.26Å; R385-N387 PolarHBondContact O-N 2.71Å; R385-R388 PolarHBondContact O-N 3Å; R385-R388 VanDerWaalsContact O-N 3.15Å; R385-N389 PolarHBondContact O-N 3.43Å; R385-N389 PolarHBondContact O-OD1 2.93Å
386Q51.1Low49.4Very low149 Ų149139.9 Ų139.970%0.69666%0.657SS**Hα-helixtrans-59.6-36.9-178.6-72.6-174-25.700112.7R388 N389 T390Q386-R388 VanDerWaalsContact C-N 3.32Å; Q386-R388 PolarHBondContact O-N 2.82Å; Q386-N389 PolarHBondContact O-N 2.87Å; Q386-T390 PolarHBondContact O-N 2.8Å; Q386-T390 PolarHBondContact O-OG1 2.89Å
387N50.1Low50.1Low93 Ų93136.8 Ų136.850%0.49764%0.639SS.*Hα-helixtrans-80.4-7.3-177.7-154.28.1000114.1R385R385-N387 VanDerWaalsContact C-N 3.26Å; R385-N387 PolarHBondContact O-N 2.71Å
388R51.7Low51.3Low181 Ų181137.6 Ų137.668%0.68363%0.627SS**Hα-helixtrans-85.7-48.1163.9-75.4-169.4178.3-172.41.2111.2D384 R385 Q386 T390 R391 E392D384-R388 PolarHBondContact O-N 3.3Å; R385-R388 PolarHBondContact O-N 3Å; R385-R388 VanDerWaalsContact O-N 3.15Å; Q386-R388 VanDerWaalsContact C-N 3.32Å; Q386-R388 PolarHBondContact O-N 2.82Å; R388-T390 VanDerWaalsContact C-N 3.28Å; R388-T390 PolarHBondContact O-N 3.01Å; R388-R391 PolarHBondContact O-N 2.86Å; R388-E392 PolarHBondContact O-N 2.83Å
389N51.3Low52.5Low110 Ų110136.7 Ų136.759%0.58862%0.615SS**Hα-helixtrans-60.1-35.6-175.8-69.727.5000112.7R385 Q386 R393R385-N389 PolarHBondContact O-N 3.43Å; R385-N389 PolarHBondContact O-OD1 2.93Å; Q386-N389 PolarHBondContact O-N 2.87Å; N389-R393 VanDerWaalsContact O-CB 3.31Å; N389-R393 WeakPolarHBondContact O-CB 3.37Å; N389-R393 PolarHBondContact O-N 3.31Å; N389-R393 VanDerWaalsContact O-N 3.11Å
390T57.7Low53.6Low72 Ų72128.5 Ų128.544%0.44259%0.59SS.*Hα-helixtrans-63-52.2171.3460000111.9Q386 R388 E392 R393 D394Q386-T390 PolarHBondContact O-N 2.8Å; Q386-T390 PolarHBondContact O-OG1 2.89Å; R388-T390 VanDerWaalsContact C-N 3.28Å; R388-T390 PolarHBondContact O-N 3.01Å; T390-E392 PolarHBondContact O-N 2.85Å; T390-R393 PolarHBondContact O-N 3.45Å; T390-D394 PolarHBondContact O-N 3.24Å
391R51.8Low54.9Low167 Ų167133.1 Ų133.163%0.6359%0.587SS**Hα-helixtrans-61.8-26.4-179.7-82.1179.7160.3171.9-3.3114.6R388 R395R388-R391 PolarHBondContact O-N 2.86Å; R391-R395 VanDerWaalsContact O-CD 3.3Å; R391-R395 WeakPolarHBondContact O-CD 3.36Å; R391-R395 VanDerWaalsContact O-CG 3.22Å; R391-R395 WeakPolarHBondContact O-CG 3.48Å; R391-R395 PolarHBondContact O-N 3.43Å
392E54.3Low56.2Low113 Ų113133.1 Ų133.153%0.52859%0.587SS.*Hα-helixtrans-80.8-37.3173.2-72.8174-178.500111.5R388 T390 D394 R395 T396R388-E392 PolarHBondContact O-N 2.83Å; T390-E392 PolarHBondContact O-N 2.85Å; E392-D394 PolarHBondContact O-N 3.32Å; E392-R395 PolarHBondContact O-N 3.07Å; E392-T396 PolarHBondContact O-N 2.62Å; E392-T396 VanDerWaalsContact O-N 3.13Å
393R55.5Low57.6Low178 Ų178133.2 Ų133.267%0.67258%0.581SS**Hα-helixtrans-69.9-27.5176.3-155.1175.7-150.9173.87114N389 T390 T396 R397N389-R393 VanDerWaalsContact O-CB 3.31Å; N389-R393 WeakPolarHBondContact O-CB 3.37Å; N389-R393 PolarHBondContact O-N 3.31Å; N389-R393 VanDerWaalsContact O-N 3.11Å; T390-R393 PolarHBondContact O-N 3.45Å; R393-T396 PolarHBondContact O-OG1 2.68Å; R393-T396 VanDerWaalsContact O-OG1 3.06Å; R393-R397 WeakPolarHBondContact O-CD 3.4Å; R393-R397 WeakPolarHBondContact O-CG 3.48Å; R393-R397 PolarHBondContact O-N 2.69Å
394D59Low58.9Low81 Ų81129.3 Ų129.343%0.43357%0.572SS.*Hα-helixtrans-74.8-39.2171.1-64-32.7000111T390 E392 T396 R397 D398T390-D394 PolarHBondContact O-N 3.24Å; E392-D394 PolarHBondContact O-N 3.32Å; D394-T396 VanDerWaalsContact C-N 3.34Å; D394-T396 PolarHBondContact O-N 3.05Å; D394-R397 PolarHBondContact O-N 2.76Å; D394-D398 PolarHBondContact O-N 3.01Å
395R55.1Low60.2Low169 Ų169129.3 Ų129.364%0.63857%0.566SS**Hα-helixtrans-67.6-26177.9-78.5171.8172.6176.1-4.6114.6R391 E392 R399R391-R395 VanDerWaalsContact O-CD 3.3Å; R391-R395 WeakPolarHBondContact O-CD 3.36Å; R391-R395 VanDerWaalsContact O-CG 3.22Å; R391-R395 WeakPolarHBondContact O-CG 3.48Å; R391-R395 PolarHBondContact O-N 3.43Å; E392-R395 PolarHBondContact O-N 3.07Å; R395-R399 WeakPolarHBondContact O-CG 3.32Å
396T61.3Low61.8Low67 Ų67126.4 Ų126.441%0.41156%0.561SS.*Hα-helixtrans-73.6-50.5169.751.60000110.3E392 R393 D394 D398 R399 D400E392-T396 PolarHBondContact O-N 2.62Å; E392-T396 VanDerWaalsContact O-N 3.13Å; R393-T396 PolarHBondContact O-OG1 2.68Å; R393-T396 VanDerWaalsContact O-OG1 3.06Å; D394-T396 VanDerWaalsContact C-N 3.34Å; D394-T396 PolarHBondContact O-N 3.05Å; T396-D398 VanDerWaalsContact C-N 3.29Å; T396-D398 PolarHBondContact O-N 3Å; T396-R399 WeakPolarHBondContact O-CA 3.29Å; T396-R399 WeakPolarHBondContact O-CB 3.4Å; T396-R399 PolarHBondContact O-N 3.34Å; T396-D400 PolarHBondContact O-N 3.01Å; T396-D400 VanDerWaalsContact O-OD2 3.11Å
397R58Low63.3Low154 Ų154127 Ų12758%0.58156%0.557SS**Hα-helixtrans-52.2-41178.5-76.2171.3162.4179.2-8.3114.3R393 D394 R401R393-R397 WeakPolarHBondContact O-CD 3.4Å; R393-R397 WeakPolarHBondContact O-CG 3.48Å; R393-R397 PolarHBondContact O-N 2.69Å; D394-R397 PolarHBondContact O-N 2.76Å; R397-R401 PolarHBondContact O-N 3.4Å; R397-R401 VanDerWaalsContact O-N 3.16Å
398D60Low64.7Low90 Ų90128.7 Ų128.748%0.48156%0.562SS.*Hα-helixtrans-68.7-39.7176.9-72.5-24.4000112.3D394 T396 D400 R401 D402D394-D398 PolarHBondContact O-N 3.01Å; T396-D398 VanDerWaalsContact C-N 3.29Å; T396-D398 PolarHBondContact O-N 3Å; D398-D400 VanDerWaalsContact C-N 3.35Å; D398-D400 PolarHBondContact O-N 3.45Å; D398-R401 PolarHBondContact O-N 2.99Å; D398-R401 IonicContact OD1-NH1 3.94Å; D398-D402 PolarHBondContact O-N 3.41Å
399R62.5Low66.2Low174 Ų174127.3 Ų127.366%0.65756%0.556SS**Hα-helixtrans-65.3-37.1175.5-74173.5171.4177.9-3.3112.8R395 T396 D402 R403R395-R399 WeakPolarHBondContact O-CG 3.32Å; T396-R399 WeakPolarHBondContact O-CA 3.29Å; T396-R399 WeakPolarHBondContact O-CB 3.4Å; T396-R399 PolarHBondContact O-N 3.34Å; R399-D402 PolarHBondContact O-N 2.89Å; R399-R403 WeakPolarHBondContact O-CG 2.96Å; R399-R403 PolarHBondContact O-N 3.48Å
400D66.7Low67.7Low82 Ų82127.4 Ų127.444%0.43955%0.553SS.*Hα-helixtrans-72.9-36.9-178.3-62.6-37.8000110.8T396 D398 R403 E404T396-D400 PolarHBondContact O-N 3.01Å; T396-D400 VanDerWaalsContact O-OD2 3.11Å; D398-D400 VanDerWaalsContact C-N 3.35Å; D398-D400 PolarHBondContact O-N 3.45Å; D400-R403 PolarHBondContact O-N 3.06Å; D400-R403 IonicContact OD1-NH1 2.71Å; D400-E404 WeakPolarHBondContact O-CB 3.21Å; D400-E404 PolarHBondContact O-N 3.43Å
401R68.6Low68.8Low166 Ų166131.2 Ų131.263%0.62656%0.56SS**Hα-helixtrans-59.9-46.1166.9-81.9-176.6176.8141-3.4113.2R397 D398 R403 E404 K405R397-R401 PolarHBondContact O-N 3.4Å; R397-R401 VanDerWaalsContact O-N 3.16Å; D398-R401 PolarHBondContact O-N 2.99Å; D398-R401 IonicContact OD1-NH1 3.94Å; R401-R403 VanDerWaalsContact C-N 3.3Å; R401-R403 PolarHBondContact O-N 3.48Å; R401-E404 PolarHBondContact O-N 3.01Å; R401-K405 VanDerWaalsContact O-CB 3.29Å; R401-K405 WeakPolarHBondContact O-CB 3.22Å; R401-K405 PolarHBondContact O-N 3.41Å
402D73.1Confident70.1Confident106 Ų106129 Ų12957%0.56756%0.556SS**Hα-helixtrans-64.2-37.5179.9-82.2-21.9000111.4D398 R399 I406D398-D402 PolarHBondContact O-N 3.41Å; R399-D402 PolarHBondContact O-N 2.89Å; D402-I406 WeakPolarHBondContact O-CD1 3.4Å; D402-I406 VanDerWaalsContact O-CG1 3.26Å; D402-I406 WeakPolarHBondContact O-CG1 3.33Å; D402-I406 PolarHBondContact O-N 2.95Å
403R75.9Confident71.3Confident157 Ų157129.8 Ų129.859%0.59256%0.558SS**Hα-helixtrans-63.9-45.1172-78168.8160.6177.5-10.2112.9R399 D400 R401 K405 I406 R407R399-R403 WeakPolarHBondContact O-CG 2.96Å; R399-R403 PolarHBondContact O-N 3.48Å; D400-R403 PolarHBondContact O-N 3.06Å; D400-R403 IonicContact OD1-NH1 2.71Å; R401-R403 VanDerWaalsContact C-N 3.3Å; R401-R403 PolarHBondContact O-N 3.48Å; R403-K405 VanDerWaalsContact C-N 3.32Å; R403-K405 PolarHBondContact O-N 3.16Å; R403-I406 PolarHBondContact O-N 3.43Å; R403-R407 WeakPolarHBondContact O-CG 3.37Å; R403-R407 PolarHBondContact O-N 2.93Å
404E74.7Confident72.3Confident134 Ų134126.7 Ų126.763%0.62655%0.551SS**Hα-helixtrans-60.1-44.4177-175.1167.8-126.600111.1D400 R401 I406 R407 E408D400-E404 WeakPolarHBondContact O-CB 3.21Å; D400-E404 PolarHBondContact O-N 3.43Å; R401-E404 PolarHBondContact O-N 3.01Å; E404-I406 VanDerWaalsContact C-N 3.31Å; E404-I406 PolarHBondContact O-N 2.83Å; E404-R407 PolarHBondContact O-N 3.41Å; E404-E408 WeakPolarHBondContact O-CB 3.15Å; E404-E408 PolarHBondContact O-N 2.73Å
405K77.8Confident73.2Confident121 Ų121131 Ų13153%0.52656%0.561SS.*Hα-helixtrans-69.7-21.8178.1-161.2168.5-168167.10114.4R401 R403 R409R401-K405 VanDerWaalsContact O-CB 3.29Å; R401-K405 WeakPolarHBondContact O-CB 3.22Å; R401-K405 PolarHBondContact O-N 3.41Å; R403-K405 VanDerWaalsContact C-N 3.32Å; R403-K405 PolarHBondContact O-N 3.16Å; K405-R409 WeakPolarHBondContact O-CD 3.36Å; K405-R409 WeakPolarHBondContact O-CG 3.37Å
406I82.7Confident74Confident90 Ų90129 Ų12946%0.46256%0.56SS.*Hα-helixtrans-75.6-50.8168.3-71.1162.7000109.7D402 R403 E404 E408 R409 E410D402-I406 WeakPolarHBondContact O-CD1 3.4Å; D402-I406 VanDerWaalsContact O-CG1 3.26Å; D402-I406 WeakPolarHBondContact O-CG1 3.33Å; D402-I406 PolarHBondContact O-N 2.95Å; R403-I406 PolarHBondContact O-N 3.43Å; E404-I406 VanDerWaalsContact C-N 3.31Å; E404-I406 PolarHBondContact O-N 2.83Å; I406-E408 VanDerWaalsContact C-N 3.26Å; I406-E408 PolarHBondContact O-N 3.01Å; I406-R409 WeakPolarHBondContact O-CB 3.36Å; I406-R409 PolarHBondContact O-N 3.03Å; I406-R409 VanDerWaalsContact O-N 3.1Å; I406-E410 PolarHBondContact O-N 2.96Å
407R80.9Confident74.6Confident163 Ų163135.9 Ų135.962%0.61558%0.578SS**Hα-helixtrans-58.2-36.8177.6-72.5170.7167.4179.1-6.7112.8R403 E404 E410 R411R403-R407 WeakPolarHBondContact O-CG 3.37Å; R403-R407 PolarHBondContact O-N 2.93Å; E404-R407 PolarHBondContact O-N 3.41Å; R407-E410 PolarHBondContact O-N 3.15Å; R407-R411 VanDerWaalsContact O-CG 3.31Å; R407-R411 WeakPolarHBondContact O-CG 3.38Å; R407-R411 PolarHBondContact O-N 2.94Å
408E80.3Confident75Confident128 Ų128134.6 Ų134.660%0.59858%0.583SS**Hα-helixtrans-63.1-45.6175.5-172.6172.7-133.700111.7E404 I406 E410 R411 E412E404-E408 WeakPolarHBondContact O-CB 3.15Å; E404-E408 PolarHBondContact O-N 2.73Å; I406-E408 VanDerWaalsContact C-N 3.26Å; I406-E408 PolarHBondContact O-N 3.01Å; E408-E410 VanDerWaalsContact C-N 3.34Å; E408-E410 PolarHBondContact O-N 2.84Å; E408-R411 PolarHBondContact O-N 2.71Å; E408-E412 WeakPolarHBondContact O-CB 3.4Å; E408-E412 PolarHBondContact O-N 2.67Å
409R83Confident75Confident151 Ų151139.6 Ų139.657%0.5760%0.595SS**Hα-helixtrans-67-30.6175.1-74.8170.9165.1173.1-5.8113.7K405 I406 K413K405-R409 WeakPolarHBondContact O-CD 3.36Å; K405-R409 WeakPolarHBondContact O-CG 3.37Å; I406-R409 WeakPolarHBondContact O-CB 3.36Å; I406-R409 PolarHBondContact O-N 3.03Å; I406-R409 VanDerWaalsContact O-N 3.1Å; R409-K413 WeakPolarHBondContact O-CG 3.4Å; R409-K413 PolarHBondContact O-N 2.73Å
410E82Confident74.8Confident113 Ų113133.7 Ų133.753%0.52859%0.588SS.*Hα-helixtrans-70.3-46.4174.9-72.6172.7154.100110.5I406 R407 E408 E412 K413 E414I406-E410 PolarHBondContact O-N 2.96Å; R407-E410 PolarHBondContact O-N 3.15Å; E408-E410 VanDerWaalsContact C-N 3.34Å; E408-E410 PolarHBondContact O-N 2.84Å; E410-E412 VanDerWaalsContact C-N 3.28Å; E410-E412 PolarHBondContact O-N 2.9Å; E410-K413 PolarHBondContact O-N 3.47Å; E410-E414 WeakPolarHBondContact O-CB 3.11Å; E410-E414 PolarHBondContact O-N 3.46Å
411R81.2Confident74.3Confident152 Ų152135.7 Ų135.757%0.57461%0.605SS**Hα-helixtrans-60.5-34.3171.4-70.9166.6173.4170.6-4.6112.8R407 E408 R415R407-R411 VanDerWaalsContact O-CG 3.31Å; R407-R411 WeakPolarHBondContact O-CG 3.38Å; R407-R411 PolarHBondContact O-N 2.94Å; E408-R411 PolarHBondContact O-N 2.71Å; R411-R415 WeakPolarHBondContact O-CB 3.4Å; R411-R415 WeakPolarHBondContact O-CD 3.48Å; R411-R415 WeakPolarHBondContact O-CG 2.93Å; R411-R415 PolarHBondContact O-N 2.92Å
412E79.9Confident73.6Confident120 Ų120133 Ų13356%0.56160%0.603SS**Hα-helixtrans-66.4-49.3175.2-170.9168.2-132.900111.4E408 E410 E414 R415 E416E408-E412 WeakPolarHBondContact O-CB 3.4Å; E408-E412 PolarHBondContact O-N 2.67Å; E410-E412 VanDerWaalsContact C-N 3.28Å; E410-E412 PolarHBondContact O-N 2.9Å; E412-E414 VanDerWaalsContact C-N 3.3Å; E412-E414 PolarHBondContact O-N 2.69Å; E412-R415 WeakPolarHBondContact O-CB 3.42Å; E412-R415 PolarHBondContact O-N 3.3Å; E412-E416 PolarHBondContact O-N 2.94Å
413K79.3Confident72.6Confident129 Ų129138.4 Ų138.456%0.56162%0.616SS**Hα-helixtrans-61.8-35.5174-72.3171.4179.2179.80113.4R409 E410 E416 R417R409-K413 WeakPolarHBondContact O-CG 3.4Å; R409-K413 PolarHBondContact O-N 2.73Å; E410-K413 PolarHBondContact O-N 3.47Å; K413-E416 PolarHBondContact O-N 3.1Å; K413-R417 WeakPolarHBondContact O-CG 3.38Å; K413-R417 PolarHBondContact O-N 3.3Å
414E77.4Confident71.5Confident113 Ų113140.9 Ų140.953%0.52863%0.625SS.*Hα-helixtrans-67.2-40.8175.1-175172.7-139.800111.3E410 E412 E416 R417 N418E410-E414 WeakPolarHBondContact O-CB 3.11Å; E410-E414 PolarHBondContact O-N 3.46Å; E412-E414 VanDerWaalsContact C-N 3.3Å; E412-E414 PolarHBondContact O-N 2.69Å; E414-E416 VanDerWaalsContact C-N 3.34Å; E414-E416 PolarHBondContact O-N 3.13Å; E414-R417 PolarHBondContact O-N 3.02Å; E414-N418 WeakPolarHBondContact O-CB 3.42Å; E414-N418 PolarHBondContact O-N 2.8Å
415R76.7Confident70.4Confident171 Ų171139.1 Ų139.165%0.64562%0.62SS**Hα-helixtrans-65.6-32.3171.1-72.5164.3175.5178.1-2.7113R411 E412 R419R411-R415 WeakPolarHBondContact O-CB 3.4Å; R411-R415 WeakPolarHBondContact O-CD 3.48Å; R411-R415 WeakPolarHBondContact O-CG 2.93Å; R411-R415 PolarHBondContact O-N 2.92Å; E412-R415 WeakPolarHBondContact O-CB 3.42Å; E412-R415 PolarHBondContact O-N 3.3Å; R415-R419 WeakPolarHBondContact O-CB 3.49Å; R415-R419 VanDerWaalsContact O-CG 3.24Å; R415-R419 WeakPolarHBondContact O-CG 3.1Å; R415-R419 PolarHBondContact O-N 2.97Å; R415-R419 VanDerWaalsContact O-N 3.13Å
416E73Confident69Low129 Ų129142.1 Ų142.160%0.60363%0.628SS**Hα-helixtrans-68.5-42.7171.1-71.8-174.514000111.9E412 K413 E414 R419E412-E416 PolarHBondContact O-N 2.94Å; K413-E416 PolarHBondContact O-N 3.1Å; E414-E416 VanDerWaalsContact C-N 3.34Å; E414-E416 PolarHBondContact O-N 3.13Å; E416-R419 PolarHBondContact O-N 2.97Å
417R72.9Confident67.5Low211 Ų211145.1 Ų145.180%0.79664%0.64SS**Hα-helixtrans-65.7-41.8176.3-73.7170.6174.9-176.3-4113K413 E414 R419K413-R417 WeakPolarHBondContact O-CG 3.38Å; K413-R417 PolarHBondContact O-N 3.3Å; E414-R417 PolarHBondContact O-N 3.02Å; R417-R419 VanDerWaalsContact C-N 3.27Å; R417-R419 PolarHBondContact O-N 3.34Å
418N66.9Low66.2Low127 Ų127145.2 Ų145.268%0.67965%0.645SS**Hα-helixtrans-79.5-10.5-179.3-67-13.8000112.7E414 G420E414-N418 WeakPolarHBondContact O-CB 3.42Å; E414-N418 PolarHBondContact O-N 2.8Å; N418-G420 PolarHBondContact O-N 3.49Å
419R59.1Low64.6Low195 Ų195147.8 Ų147.874%0.73665%0.65SS**  trans-77.574.7160.6-80.3171.9175.1152.1-1.7109.9R415 E416 R417R415-R419 WeakPolarHBondContact O-CB 3.49Å; R415-R419 VanDerWaalsContact O-CG 3.24Å; R415-R419 WeakPolarHBondContact O-CG 3.1Å; R415-R419 PolarHBondContact O-N 2.97Å; R415-R419 VanDerWaalsContact O-N 3.13Å; E416-R419 PolarHBondContact O-N 2.97Å; R417-R419 VanDerWaalsContact C-N 3.27Å; R417-R419 PolarHBondContact O-N 3.34Å
420G59.2Low62.9Low50 Ų50149.2 Ų149.252%0.51566%0.656SS.*PPolyproline II helixtrans-51.9151.2160.600000110.6N418 D422N418-G420 PolarHBondContact O-N 3.49Å; G420-D422 PolarHBondContact O-N 3.28Å
421P56.8Low61.3Low123 Ų123150.5 Ų150.580%0.79966%0.661SS**PPolyproline II helixtrans-54.8123.3-167.320.7-33.1000111.8
422D52.4Low59.9Low109 Ų109147.2 Ų147.258%0.58366%0.662SS**PPolyproline II helixtrans-58.6141.7-176.3-169.20.2000109.9G420 R424 D425G420-D422 PolarHBondContact O-N 3.28Å; D422-R424 PolarHBondContact O-N 3.19Å; D422-D425 PolarHBondContact O-N 3.06Å
423R53.1Low58.4Low221 Ų221149.2 Ų149.283%0.83467%0.671SS**THydrogen-bonded Turntrans-61.2-14.9-166.1-69-176.2174.9-175.9-1.8113.3
424R53.1Low56.9Low208 Ų208153.3 Ų153.379%0.78568%0.683SS**THydrogen-bonded Turntrans-77-25.2178.4-59.2-176.3-175.6-162.9-0.3114.5D422D422-R424 PolarHBondContact O-N 3.19Å
425D51Low55.6Low97 Ų97154.1 Ų154.152%0.51969%0.691SS.*THydrogen-bonded Turntrans-83.8-16.1174.9-78.8-46.1000112.6D422 E427 K428D422-D425 PolarHBondContact O-N 3.06Å; D425-E427 VanDerWaalsContact C-N 3.31Å; D425-E427 PolarHBondContact O-N 3.21Å; D425-K428 PolarHBondContact O-N 3.34Å; D425-K428 VanDerWaalsContact O-N 3.13Å
426R48.6Very low54.5Low184 Ų184150.6 Ų150.669%0.69469%0.693SS**Hα-helixtrans-71.6-22.6-178.2-156.4170.6-166.7172.54.6113.9
427E51.7Low53.4Low154 Ų154152.3 Ų152.372%0.7271%0.706SS**Hα-helixtrans-74.1-31.1171-64.7-175.1140.300111.7D425 R430D425-E427 VanDerWaalsContact C-N 3.31Å; D425-E427 PolarHBondContact O-N 3.21Å; E427-R430 PolarHBondContact O-N 3.36Å
428K52Low52.2Low165 Ų165148.7 Ų148.772%0.71770%0.702SS**Hα-helixtrans-75.8-29.6-173.8-149.7170.8-171.1175.30113.6D425D425-K428 PolarHBondContact O-N 3.34Å; D425-K428 VanDerWaalsContact O-N 3.13Å
429Y47.2Very low51.3Low182 Ų182152.6 Ų152.671%0.71471%0.708SS**Hα-helixtrans-81.1-32.8171.4-83.1-86.4000113.1H431 S432Y429-H431 PolarHBondContact O-N 3.35Å; Y429-H431 VanDerWaalsContact O-N 3.15Å; Y429-S432 WeakPolarHBondContact O-CB 3.24Å; Y429-S432 PolarHBondContact O-N 2.93Å
430R47Very low50.7Low181 Ų181155 Ų15568%0.68372%0.717SS**Hα-helixtrans-65.8-14.4177.5-85.1-177162.3-176.6-6.4114.8E427E427-R430 PolarHBondContact O-N 3.36Å
431H49.4Very low50.2Low139 Ų139159 Ų15964%0.64473%0.726SS**THydrogen-bonded Turntrans-88.4-9.1170-115.7-68.7000114.2Y429Y429-H431 PolarHBondContact O-N 3.35Å; Y429-H431 VanDerWaalsContact O-N 3.15Å
432S50.6Low49.9Very low83 Ų83158.6 Ų158.658%0.5873%0.727SS**THydrogen-bonded Turntrans-87.1-19.2179-167.10000113.7Y429Y429-S432 WeakPolarHBondContact O-CB 3.24Å; Y429-S432 PolarHBondContact O-N 2.93Å
433E49.6Very low49.8Very low163 Ų163162.5 Ų162.576%0.76274%0.738SS**SBendtrans-99.13.8-175.4-64.4-179.2134.300113.4
434R47.8Very low49.4Very low214 Ų214157.4 Ų157.481%0.80873%0.734SS**SBendtrans-113.2-9.2-179.8-90-174.9168.3-174.9-4.9116
435D50.5Low49.2Very low130 Ų130156.6 Ų156.670%0.69574%0.736SS**SBendtrans-102.824.5-179.8-70.9-47.2000113
436S52.4Low48.9Very low97 Ų97160.1 Ų160.168%0.67875%0.747SS**SBendtrans-113.2-11-177.5-65.10000115.7D438S436-D438 VanDerWaalsContact C-N 3.28Å; S436-D438 PolarHBondContact O-N 3.24Å
437D49.7Very low48.8Very low165 Ų165158.9 Ų158.988%0.88275%0.749SS**SBendtrans-83.34.8-175.5-82.9-38000114.7
438D49.5Very low48.6Very low135 Ų135160.9 Ų160.972%0.72275%0.749SS**  trans-118.3137.3-177.4-145.8-27000112.2S436S436-D438 VanDerWaalsContact C-N 3.28Å; S436-D438 PolarHBondContact O-N 3.24Å
439R47.8Very low48.3Very low210 Ų210158.4 Ų158.479%0.79274%0.744SS**  trans75.579.2177.1-45.4165.2-171.4-178.32.7118.6
440R45.3Very low48.5Very low245 Ų245156 Ų15693%0.92575%0.748SS**  -163.491.7109.5-114.4160.5-73.4-162.70.2115.3
441D49.7Very low48.5Very low134 Ų134152.3 Ų152.372%0.71775%0.748SS**  trans-74.1126.9157.6-1741.7000109.9
442S48.7Very low47.9Very low115 Ų115151.8 Ų151.880%0.80475%0.754SS**  trans-179.264.8158.5-83.20000114.5
443K51Low47.5Very low191 Ų191158.1 Ų158.183%0.8377%0.771SS**  trans48.5158.5141.1-72.8-177.3178.4174.50123.6
444P46.1Very low47.2Very low114 Ų114159 Ų15974%0.7478%0.775SS**  trans-120.2-175-154.444-33.1000115.3
445K47.5Very low47Very low191 Ų191154.1 Ų154.183%0.8377%0.774SS**  trans-161.1119.2154.5-107.5146.9-173.8175.10115.9
446K45Very low46.7Very low170 Ų170156.1 Ų156.174%0.73978%0.779SS**  trans69.7121.4133.6-72.8-173.4166.7-165.50123.4
447H47.6Very low46.4Very low159 Ų159156.5 Ų156.574%0.73678%0.782SS**  72.9152.7128.7-79.9-49.7000120.5
448R46.4Very low45.9Very low196 Ų196156.4 Ų156.474%0.7478%0.781SS**  cis-171.2151.1-2.1170.3170.1-171.9169.63.2112.6
449D46.2Very low45.4Very low112 Ų112153.6 Ų153.660%0.59978%0.784SS**  trans41.3140.3161.4-49.2-12.9000120.9
450V50.8Low45.2Very low131 Ų131147.8 Ų147.879%0.79478%0.781SS**  cis87.7133.422.7-179.10000114.1
451P46.1Very low45.2Very low105 Ų105142.4 Ų142.468%0.68278%0.775SS**  cis-141.5-174.4-36.440.8-19.8000115.6
452T38.2Very low44.9Very low128 Ų128145.7 Ų145.779%0.78578%0.777SS**  trans37.1137.5150.953.10000124.6
453K42.3Very low44.9Very low215 Ų215146.6 Ų146.694%0.93577%0.769SS**  trans-159.4161.7134.1-116.3168.6-173.71770113.7
454Q41.8Very low44.6Very low181 Ų181144.8 Ų144.885%0.84676%0.763SS**  trans-121.6149.5-175.1-59.6165.1-4300111.8
455S44.3Very low44.4Very low113 Ų113148.5 Ų148.579%0.7977%0.768SS**  trans167.8162.9153.6520000110.6
456H43.9Very low44.1Very low171 Ų171148.3 Ų148.379%0.79276%0.762SS**  cis-168.7171.1-45.1-105.3-54.6000107.8
457S46.1Very low44.1Very low106 Ų106145.5 Ų145.574%0.74175%0.751SS**  trans72.3162.9164.281.20000118.8
458N39.6Very low43.9Very low163 Ų163145.7 Ų145.787%0.87275%0.75SS**  -167.3147-56.5-104.1-1.9000111.2
459G39.2Very low43.7Very low75 Ų75143.8 Ų143.877%0.77376%0.755SS**  trans87170.8160.300000117.2
460A43.7Very low43.7Very low89 Ų89143.7 Ų143.774%0.73676%0.76SS**  cis-176.2138.6-20.400000109.6
461V45.6Very low43.1Very low131 Ų131145.9 Ų145.979%0.79476%0.762SS**  trans67.5131.21571770000114.7
462R42.8Very low42.9Very low203 Ų203147.6 Ų147.677%0.76677%0.77SS**  -179.7151.267.7-149.2157.3-179.5158.53.7112.5
463Q48.6Very low43Very low135 Ų135148 Ų14863%0.63177%0.767SS**  trans27.8154.7143.7-65176.6-8800122
464E43.9Very low42.9Very low152 Ų152145 Ų14571%0.7176%0.761SS**  cis-179.6-178.8-14.2-107.3-178.8125.200107.8
465K42.6Very low42.7Very low192 Ų192147.3 Ų147.384%0.83576%0.762SS**  trans84.2140.5169.1-63.3178.1179.7173.40116.9
466R40.9Very low42.5Very low187 Ų187146.4 Ų146.471%0.70676%0.756SS**  cis-164.9158.1-15.6-128.7-178.1157.9-178-13.4111.6
467E45.4Very low42.2Very low111 Ų111144 Ų14452%0.51976%0.759SS.*  trans18.3145.4137.3-71.3168.7-13100120.4
468K42.9Very low41.9Very low163 Ų163142.5 Ų142.571%0.70975%0.753SS**  cis-160.3138.217-109.3150.8176.2152.50108.7
469N42.4Very low41.9Very low157 Ų157140.8 Ų140.884%0.8475%0.748SS**  68.4151.192.9-89.129.7000118.7
470P47Very low42.2Very low110 Ų110143.6 Ų143.671%0.71475%0.745SS**  trans-119.2-152.4-165.443.6-27.5000114.1
471E37.9Very low42.1Very low177 Ų177145.5 Ų145.583%0.82774%0.743SS**  trans80.4137177.1-57.6-165.2104.200118.4
472V42.8Very low41.9Very low141 Ų141146.6 Ų146.686%0.85574%0.739SS**  -179.1146.8112.9149.80000110.5
473N38.7Very low41.9Very low136 Ų136142.9 Ų142.973%0.72774%0.739SS**  trans-81.9166.2178.4-81.2-66.3000113.9
474N40.7Very low41.6Very low151 Ų151144.3 Ų144.381%0.80775%0.745SS**  trans150.6118.7145.6-76.1-20.9000108.6
475R38.2Very low41.4Very low230 Ų230142.2 Ų142.287%0.86875%0.747SS**  cis88120.921.4-147.5-176.1-160-163.55.8115.8
476S39.1Very low41.5Very low95 Ų95136.7 Ų136.766%0.66473%0.733SS**  trans69.9126.4155.741.30000122.4
477S37.8Very low41.5Very low120 Ų120137.1 Ų137.184%0.83974%0.74SS**  trans67.9151146.665.40000118.1
478A40.3Very low41.4Very low75 Ų75140.8 Ų140.862%0.6275%0.754SS**  cis-160.9167.324.800000113.4
479T39.8Very low41.3Very low126 Ų126136.7 Ų136.777%0.77375%0.746SS**  trans53.9148.8140.155.10000121.6
480L45.2Very low41.3Very low135 Ų135138.3 Ų138.371%0.70775%0.746SS**  cis-166.2-176.83.6-117166.7000110.5
481D41.7Very low41Very low128 Ų128141.7 Ų141.768%0.68475%0.752SS**  trans69.7147.1150.5-63.4-20.7000122
482E40.7Very low41.3Very low155 Ų155137.5 Ų137.572%0.72474%0.738SS**  cis-160.2119.9-17.4-169.6-172.5140.100113.7
483V43.1Very low41.2Very low124 Ų124137.3 Ų137.375%0.75273%0.732SS**  trans54.5161.7139-164.90000124
484Q42.8Very low41.4Very low165 Ų165136.8 Ų136.877%0.77174%0.74SS**  trans91.9106.9167.6-51.4-166.836.500116.7
485S39.8Very low41.6Very low108 Ų108137.3 Ų137.376%0.75574%0.741SS**  87.614650.198.20000114
486S43.6Very low41.9Very low76 Ų76131.3 Ų131.353%0.53173%0.734SS.*  cis-165.5168.98.1600000113.9
487K42.5Very low41.9Very low197 Ų197131.6 Ų131.686%0.85774%0.736SS**  trans71.3162.5157.1-64.8153.6-168.2159.60118.2
488K41.7Very low42.1Very low187 Ų187131.4 Ų131.481%0.81373%0.734SS**  cis175.7147.1-23.3-179.2-119.4176.4-144.90106
489S42.6Very low42.1Very low78 Ų78133.7 Ų133.755%0.54575%0.745SS.*  cis-146.5155.913.6110000109.2
490K41.6Very low42Very low190 Ų190134.9 Ų134.983%0.82675%0.747SS**  65.5107.671.1-95.9-158.7178.3-163.10118.2
491H41.5Very low42Very low182 Ų182134.4 Ų134.484%0.84375%0.754SS**  trans-175.4126.5135.1-92.7-69.7000105.5
492T42.7Very low42Very low89 Ų89136.9 Ų136.955%0.54676%0.762SS.*  cis66.8136.348.572.20000114.6
493D41.8Very low42.3Very low136 Ų136137 Ų13773%0.72777%0.767SS**  cis-167.9154.8-15.8-88-34.4000107
494S43.2Very low42.3Very low126 Ų126138.3 Ų138.388%0.88177%0.765SS**  trans-172.1146.1156.4-84.80000111.8
495I44.1Very low42.1Very low162 Ų162135.8 Ų135.883%0.83176%0.757SS**  trans-147134.1-163.8-47.2171.8000111.5
496S43.6Very low42.4Very low104 Ų104136.1 Ų136.173%0.72776%0.759SS**  trans-159.3128.2154.944.80000108.1
497S40.8Very low42.3Very low101 Ų101140.9 Ų140.971%0.70677%0.77SS**  cis75.913144.879.30000113.8
498C40.4Very low42.1Very low116 Ų116138.2 Ų138.278%0.78476%0.764SS**  cis-166.6163.5-9.7-980000107.7
499S41.2Very low41.9Very low122 Ų122135.3 Ų135.385%0.85377%0.766SS**  trans165.4125.4134.5-73.90000112.3
500D37Very low41.6Very low152 Ų152137.5 Ų137.581%0.81378%0.779SS**  trans-93.3166.3173.3-68.4-73.3000112.9
501S45.9Very low41.5Very low125 Ų125133 Ų13387%0.87478%0.776SS**  trans-157.3121.9155.6-61.80000108.4
502E42.3Very low41.4Very low180 Ų180133.4 Ų133.484%0.84178%0.779SS**  trans-94.4161.6-179.5-57178.8109.900111.2
503D46.2Very low41Very low157 Ų157134.4 Ų134.484%0.8479%0.79SS**  176.7127.7125.3-95.2-27.7000115.6
504E43.9Very low41Very low151 Ų151137.3 Ų137.371%0.70680%0.801SS**  trans24.3110145.9-74.2-68.392.100124.5
505N38.6Very low40.8Very low113 Ų113139.2 Ų139.260%0.60480%0.796SS**  56.9114.2103.1-174.714.9000122
506S46.1Very low40.4Very low114 Ų114137.5 Ų137.580%0.79779%0.789SS**  trans-165112.5132.246.80000117
507K41.2Very low40.1Very low176 Ų176136.4 Ų136.477%0.76579%0.794SS**  trans32123.5139.3-68178.4178.7172.60124.4
508I38.4Very low39.8Very low141 Ų141140 Ų14072%0.72380%0.797SS**  61.4119.8122-55.3165.3000120.2
509C36.3Very low39.7Very low127 Ų127141 Ų14186%0.85880%0.799SS**  -177.3127.5124.7-1070000113.1
510P36.8Very low39.6Very low124 Ų124142.7 Ų142.781%0.80579%0.794SS**  trans-115.5144.6163.737-26.7000113.2
511A40Very low39.8Very low94 Ų94141 Ų14178%0.77779%0.794SS**  trans-146.5120.2163.500000106.5
512E39.4Very low39.4Very low191 Ų191142 Ų14289%0.89379%0.789SS**  78.1126.167.9-70.5-155.4143.800114.4
513S34.6Very low39.3Very low111 Ų111140.7 Ų140.778%0.77679%0.788SS**  trans-47.9148.9-174.2460000118
514M40.1Very low38.9Very low196 Ų196140.4 Ų140.497%0.96679%0.787SS**  trans-124.8146.2142.7-71.6-166.3174.800110.6
515E38.9Very low38.7Very low167 Ų167138.7 Ų138.778%0.7879%0.786SS**  trans-111.4171.9-170.1-157.9-166.1118.600111.2
516N35.8Very low38.7Very low126 Ų126142.3 Ų142.367%0.67480%0.8SS**  trans72.697.4165.7-70.3-65.9000118.6
517G37.5Very low38.3Very low81 Ų81142.1 Ų142.184%0.83580%0.798SS**  trans-139.874.8159.400000110
518K35Very low38.2Very low176 Ų176138.8 Ų138.877%0.76580%0.797SS**  trans-99.6103.1-167.5-174.4179.4-178.7178.30112.3
519T38.8Very low38Very low137 Ų137139.5 Ų139.584%0.8480%0.802SS**  trans-128.1122.2169.647.50000110.8
520Q38.8Very low38.2Very low158 Ų158141.7 Ų141.774%0.73880%0.8SS**  trans-90.1140.5171.5-67.9167.9-11200110
521S41Very low38.2Very low116 Ų116143 Ų14381%0.81180%0.796SS**  trans-154.4111156.457.90000107.8
522D38.4Very low38.1Very low145 Ų145143.9 Ų143.978%0.77579%0.793SS**  trans-78.3139.9-175.5-40.3-93.3000110.9
523D39.7Very low38.2Very low153 Ų153140.7 Ų140.782%0.81879%0.789SS**  trans-152.6115.1151.3-149.2-10.5000110.4
524D37.6Very low38.2Very low152 Ų152143.5 Ų143.581%0.81379%0.787SS**  trans-89112.3-178.7-106.3-49.5000109.6
525T40.3Very low38.1Very low114 Ų114138 Ų13870%0.69977%0.766SS**  trans-133.796167.4-62.10000111.2S527T525-S527 PolarHBondContact O-N 3.27Å; T525-S527 VanDerWaalsContact O-N 3.15Å
526Q38.6Very low38.1Very low190 Ų190135.1 Ų135.189%0.88876%0.76SS**  trans-65.5108.9167.3-65.1-179.9-0.700109.6
527S37.8Very low38.2Very low109 Ų109133.1 Ų133.176%0.76275%0.752SS**  trans-107.4141.6163.860.50000110.1T525T525-S527 PolarHBondContact O-N 3.27Å; T525-S527 VanDerWaalsContact O-N 3.15Å
528S38.1Very low38.7Very low106 Ų106131.3 Ų131.374%0.74173%0.725SS**  trans-71133.6-171.147.40000112.2E530S528-E530 VanDerWaalsContact C-N 3.28Å; S528-E530 PolarHBondContact O-N 3.13Å
529N35.5Very low39.2Very low156 Ų156125.6 Ų125.683%0.83472%0.716SS**  trans-73.273.1-179-168.62.5000112.1Q531N529-Q531 PolarHBondContact O-N 2.85Å
530E38.8Very low39.5Very low173 Ų173121 Ų12181%0.80869%0.688SS**  trans-71.1106169.1-73.1-161.7119.200109.9S528S528-E530 VanDerWaalsContact C-N 3.28Å; S528-E530 PolarHBondContact O-N 3.13Å
531Q38.2Very low40.1Very low152 Ų152118 Ų11871%0.7167%0.672SS**PPolyproline II helixtrans-61.5133.5168-72.1-168.8-26.800109.7N529N529-Q531 PolarHBondContact O-N 2.85Å
532P38.2Very low40.5Very low112 Ų112118.5 Ų118.573%0.72767%0.665SS**PPolyproline II helixtrans-59.5143.3173.525.4-33.8000110.1K534P532-K534 PolarHBondContact O-N 3.4Å
533P40.8Very low41.2Very low125 Ų125113.1 Ų113.181%0.81264%0.641SS**PPolyproline II helixtrans-60.9124.7-176.424.8-34000110.3
534K34.9Very low41.9Very low169 Ų169106.7 Ų106.774%0.73561%0.611SS**PPolyproline II helixtrans-54.4134.4-176.4-68.8-178.9179.6177.70110.8P532 T536P532-K534 PolarHBondContact O-N 3.4Å; K534-T536 PolarHBondContact O-N 3.26Å; K534-T536 VanDerWaalsContact O-N 3.15Å
535P36.9Very low42.9Very low81 Ų81104 Ų10453%0.52660%0.602SS.*PPolyproline II helixtrans-59.3120.4-176.425.6-36.6000110.4E191 V537E191-P535 WeakPolarHBondContact OE1-CB 3.28Å; E191-P535 VanDerWaalsContact OE1-CG 3.23Å; E191-P535 WeakPolarHBondContact OE1-CG 3.37Å; P535-V537 PolarHBondContact O-N 3.49Å; P535-V537 VanDerWaalsContact O-N 3.09Å
536T40Very low44Very low107 Ų107105.3 Ų105.366%0.65660%0.6SS**  trans-80.293.3177.1-59.20000108.7K534 V538K534-T536 PolarHBondContact O-N 3.26Å; K534-T536 VanDerWaalsContact O-N 3.15Å; T536-V538 PolarHBondContact O-N 3.49Å
537V38.1Very low45.1Very low83 Ų8397.9 Ų97.950%0.50357%0.566SS.*  trans-58.2107.8175-179.90000109.1L183 P535 G539L183-V537 HydrophobicContact CD2-CG1 4.03Å; P535-V537 PolarHBondContact O-N 3.49Å; P535-V537 VanDerWaalsContact O-N 3.09Å; V537-G539 PolarHBondContact O-N 3.06Å
538V47.8Very low46.5Very low44 Ų4493.2 Ų93.227%0.26753%0.533SS..  trans-79.7113.9176.1179.70000107.7P244 T536P244-V538 HydrophobicContact CG-CG1 4.36Å; T536-V538 PolarHBondContact O-N 3.49Å
539G44.4Very low47.8Very low56 Ų5691.3 Ų91.358%0.57751%0.514SS*.  trans-58.8153.5-163.500000115.7V537 K541V537-G539 PolarHBondContact O-N 3.06Å; G539-K541 PolarHBondContact O-N 2.92Å
540V45.9Very low48.9Very low41 Ų4189 Ų8925%0.24850%0.498CS..  trans-56.9117.4179.4171.80000110.7D180 L183D180-V540 WeakPolarHBondContact OD1-CG2 3.13Å; L183-V540 HydrophobicContact CD2-CG2 4.3Å
541K51.5Low49.7Very low93 Ų9384.1 Ų84.140%0.40448%0.477SS..EExtended strand (participates in β ladder)trans-119134.6171-167.6-153.8171.6-154.70108.8G539 D547G539-K541 PolarHBondContact O-N 2.92Å; K541-D547 IonicContact NZ-OD1 3.9Å; K541-D547 PolarHBondContact NZ-OD1 3.38Å; K541-D547 IonicContact NZ-OD2 3.53Å; K541-D547 PolarHBondContact NZ-OD2 2.88Å
542L49.6Very low49.4Very low127 Ų12781.2 Ų81.267%0.66547%0.473SS*.EExtended strand (participates in β ladder)trans-65.1137.7168.4-59.6177.8000109.9M197M197-L542 HydrophobicContact CB-CD2 3.9Å; M197-L542 HydrophobicContact CG-CD2 4.2Å
543A52.5Low49.5Very low33 Ų3381.4 Ų81.427%0.27348%0.475SS..PPolyproline II helixtrans-79.3135.7175.600000112.4R196 M197 A198R196-A543 HydrophobicContact CG-CB 4.04Å; R196-A543 VanDerWaalsContact NH1-CB 3.27Å; R196-A543 VanDerWaalsContact NH2-CA 3.31Å; M197-A543 WeakPolarHBondContact O-CB 3.27Å; M197-A543 PolarHBondContact O-N 3.05Å; A198-A543 HydrophobicContact CB-CB 4.38Å
544G53.9Low49.4Very low17 Ų1782.8 Ų82.818%0.17548%0.475CS..PPolyproline II helixtrans-89.1166136.100000110R196 E546 D547R196-G544 PolarHBondContact NH2-O 3.25Å; G544-E546 VanDerWaalsContact C-OE2 3.28Å; G544-E546 VanDerWaalsContact CA-OE2 3.27Å; G544-E546 WeakPolarHBondContact CA-OE2 3.3Å; G544-E546 PolarHBondContact O-N 3.42Å; G544-E546 VanDerWaalsContact O-N 3.13Å; G544-D547 PolarHBondContact O-N 2.97Å
545P59.5Low49.2Very low96 Ų9680.7 Ų80.762%0.62347%0.472SS*.G310 helixtrans-55.7-26.417224.3-34000112.7D547 M548P545-D547 PolarHBondContact O-N 3.21Å; P545-M548 PolarHBondContact O-N 3.19Å; P545-M548 VanDerWaalsContact O-N 3.1Å
546E62.3Low49.1Very low141 Ų14182.9 Ų82.966%0.65948%0.484SS*.G310 helixtrans-69.8-14-175.770.1-80.2-177.300116.9G544G544-E546 VanDerWaalsContact C-OE2 3.28Å; G544-E546 VanDerWaalsContact CA-OE2 3.27Å; G544-E546 WeakPolarHBondContact CA-OE2 3.3Å; G544-E546 PolarHBondContact O-N 3.42Å; G544-E546 VanDerWaalsContact O-N 3.13Å
547D62.2Low48.7Very low34 Ų3485.1 Ų85.118%0.18249%0.487CS..G310 helixtrans-104.125.2165.14.3-111000114.9R196 I242 K541 G544 P545R196-D547 IonicContact CZ-OD2 2.67Å; R196-D547 PolarHBondContact NE-O 3.11Å; R196-D547 IonicContact NE-OD2 3.6Å; R196-D547 PolarHBondContact NH1-O 3.05Å; R196-D547 VanDerWaalsContact NH2-CG 3.29Å; R196-D547 PolarHBondContact NH2-O 3.26Å; R196-D547 IonicContact NH2-OD2 2.73Å; R196-D547 PolarHBondContact NH2-OD2 3.1Å; I242-D547 HydrophobicContact CB-CB 4.08Å; I242-D547 VanDerWaalsContact CB-O 3.29Å; I242-D547 WeakPolarHBondContact CB-O 3.22Å; I242-D547 WeakPolarHBondContact CG1-O 3.43Å; I242-D547 PolarHBondContact N-O 3.25Å; K541-D547 IonicContact NZ-OD1 3.9Å; K541-D547 PolarHBondContact NZ-OD1 3.38Å; K541-D547 IonicContact NZ-OD2 3.53Å; K541-D547 PolarHBondContact NZ-OD2 2.88Å; G544-D547 PolarHBondContact O-N 2.97Å; P545-D547 PolarHBondContact O-N 3.21Å
548M68.2Low48.7Very low12 Ų1285.4 Ų85.46%0.05949%0.493CS..BIsolated β-bridgetrans-105.9139.6156.6-71.3-49.2-70.100110.7R196 Y207 C239 P545 H550R196-M548 PolarHBondContact NH1-SD 3.27Å; Y207-M548 HydrophobicContact CD1-CE 3.88Å; Y207-M548 HydrophobicContact CD2-CE 3.92Å; Y207-M548 HydrophobicContact CD2-SD 3.71Å; Y207-M548 HydrophobicContact CE1-CE 3.82Å; Y207-M548 HydrophobicContact CE2-CE 3.87Å; Y207-M548 HydrophobicContact CE2-CG 4.18Å; Y207-M548 HydrophobicContact CE2-SD 3.84Å; Y207-M548 HydrophobicContact CG-CE 3.92Å; Y207-M548 HydrophobicContact CG-SD 4.17Å; C239-M548 HydrophobicContact CB-CE 3.59Å; C239-M548 WeakPolarHBondContact O-CE 3.34Å; P545-M548 PolarHBondContact O-N 3.19Å; P545-M548 VanDerWaalsContact O-N 3.1Å; M548-H550 VanDerWaalsContact C-N 3.35Å; M548-H550 PolarHBondContact O-N 3.43Å
549D65.3Low48.1Very low65 Ų6592.1 Ų92.135%0.34852%0.521SS..  trans-76.389.3164.8-85.2-16.8000109.3R160 C239 I242 L551R160-D549 IonicContact CZ-OD2 2.69Å; R160-D549 IonicContact NE-OD2 2.64Å; R160-D549 PolarHBondContact NE-OD2 2.97Å; R160-D549 VanDerWaalsContact NH2-CG 3.31Å; R160-D549 IonicContact NH2-OD2 3.71Å; R160-D549 PolarHBondContact NH2-OD2 3.4Å; C239-D549 WeakPolarHBondContact CB-O 3.26Å; C239-D549 PolarHBondContact SG-O 3.06Å; I242-D549 WeakPolarHBondContact CD1-OD1 3.31Å; I242-D549 HydrophobicContact CG1-CB 4.49Å; D549-L551 VanDerWaalsContact C-N 3.3Å; D549-L551 PolarHBondContact O-N 3.25Å
550H58.9Low48Very low109 Ų10996.7 Ų96.751%0.50553%0.531SS..  trans-71.585.1171.9-72.2-69.1000110.9M548 S552M548-H550 VanDerWaalsContact C-N 3.35Å; M548-H550 PolarHBondContact O-N 3.43Å; H550-S552 PolarHBondContact O-N 3.47Å
551L54Low47.6Very low69 Ų69100 Ų10036%0.36155%0.554SS.*  trans-72.870162.2-66176.7000109.4T156 I164 D549T156-L551 HydrophobicContact CG2-CD1 3.86Å; I164-L551 HydrophobicContact CD1-CD1 4.35Å; D549-L551 VanDerWaalsContact C-N 3.3Å; D549-L551 PolarHBondContact O-N 3.25Å
552S33.7Very low46.8Very low91 Ų91103.8 Ų103.864%0.63658%0.578SS**PPolyproline II helixtrans-59.6128.7179.8-63.80000111.2H550H550-S552 PolarHBondContact O-N 3.47Å
553P39.8Very low46.5Very low116 Ų116104.1 Ų104.175%0.75358%0.578SS**PPolyproline II helixtrans-65.3136.915130.4-31.5000108
554D38.2Very low46Very low154 Ų154107.3 Ų107.382%0.82460%0.599SS**PPolyproline II helixtrans-62.4147.4169.3-87.2-49.9000110.1V556D554-V556 PolarHBondContact O-N 3.45Å
555N31.1Very low45.4Very low126 Ų126114.7 Ų114.767%0.67463%0.628SS**  trans-66.788.6-164.2-178.975.7000113.7Q557N555-Q557 PolarHBondContact ND2-OE1 3.29Å; N555-Q557 PolarHBondContact O-N 3.15Å
556V35.4Very low44.9Very low127 Ų127117.3 Ų117.377%0.7764%0.635SS**  trans-91.984.1167-174.70000109.3D554 S558D554-V556 PolarHBondContact O-N 3.45Å; V556-S558 VanDerWaalsContact C-N 3.29Å; V556-S558 PolarHBondContact O-N 3.3Å
557Q31.2Very low44.1Very low154 Ų154115.5 Ų115.572%0.7264%0.638SS**  trans-73.786.7162.4-72.7172.4-81.100108.7N555 E559N555-Q557 PolarHBondContact ND2-OE1 3.29Å; N555-Q557 PolarHBondContact O-N 3.15Å; Q557-E559 PolarHBondContact O-N 3.36Å
558S37.2Very low43.7Very low89 Ų89119.5 Ų119.562%0.62267%0.666SS**  trans-75.896.7167.656.80000109.2V556 L560V556-S558 VanDerWaalsContact C-N 3.29Å; V556-S558 PolarHBondContact O-N 3.3Å; S558-L560 PolarHBondContact O-N 3.26Å
559E36.5Very low42.6Very low185 Ų185127 Ų12786%0.86470%0.701SS**  trans-61.6121.1169.4-66.3-168.1146.800109.6Q557 P561Q557-E559 PolarHBondContact O-N 3.36Å; E559-P561 WeakPolarHBondContact O-CD 3.49Å
560L40.6Very low41.9Very low152 Ų152128.4 Ų128.480%0.79672%0.716SS**  trans-89.9115.8169.8-67.5175.3000108.2S558 L562S558-L560 PolarHBondContact O-N 3.26Å; L560-L562 PolarHBondContact O-N 2.77Å
561P38Very low41.3Very low110 Ų110130.8 Ų130.871%0.71473%0.733SS**  trans-68.8119.2173.327.9-32.5000109.5E559 I563E559-P561 WeakPolarHBondContact O-CD 3.49Å; P561-I563 PolarHBondContact O-N 2.89Å; P561-I563 VanDerWaalsContact O-N 3.1Å
562L35.8Very low40.9Very low173 Ų173132 Ų13291%0.90675%0.746SS**  trans-67.8104.2173.5-72.6168.2000109.9L560 S564L560-L562 PolarHBondContact O-N 2.77Å; L562-S564 PolarHBondContact O-N 3.38Å
563I43.2Very low41.7Very low133 Ų133133.6 Ų133.668%0.68276%0.758SS**  trans-87.896.9168.8-57.9-179.3000108.1P561 H565P561-I563 PolarHBondContact O-N 2.89Å; P561-I563 VanDerWaalsContact O-N 3.1Å; I563-H565 PolarHBondContact O-N 3.19Å
564S41.3Very low42.1Very low100 Ų100130.9 Ų130.970%0.69975%0.751SS**  trans-75102.6172.854.80000110.4L562L562-S564 PolarHBondContact O-N 3.38Å
565H41.7Very low42.7Very low173 Ų173133.2 Ų133.280%0.80176%0.757SS**  trans-78.2127.4167.2-72.8-86.9000110.1I563I563-H565 PolarHBondContact O-N 3.19Å
566I48.1Very low43.9Very low150 Ų150130.5 Ų130.577%0.76975%0.752SS**  trans-123.8121.5173.9-65.6175.6000107.1
567S45.6Very low45.1Very low103 Ų103132.6 Ų132.672%0.7276%0.756SS**  trans-75.5150.2170.8-52.20000110.7
568P53.1Low46.2Very low118 Ų118131.6 Ų131.677%0.76676%0.755SS**  -120.814698.134.6-31.2000111.3
569E45.5Very low47.1Very low170 Ų170133.5 Ų133.579%0.79476%0.763SS**  75.39551.2-64.5-108.4123.200113.6
570S50Low48.1Very low95 Ų95134 Ų13466%0.66477%0.765SS**  trans93.2137.9133.2-53.50000121.7
571D46.9Very low48.8Very low159 Ų159135.2 Ų135.285%0.8580%0.798SS**  trans62.6156.2161.1-65-32.8000121.1
572S47.1Very low49.3Very low93 Ų93136.5 Ų136.565%0.6580%0.802SS**  cis-174.6140.2-34.4-174.80000108.3
573S49.5Very low50Low125 Ų125134.5 Ų134.587%0.87480%0.796SS**  trans59.5158.8179.273.30000115.6
574G48Very low50.4Low59 Ų59134.6 Ų134.661%0.60880%0.803SS**  cis168.8147-8.700000110.7
575E52.1Low51Low203 Ų203136.6 Ų136.695%0.94981%0.809SS**  trans61.4165.7173.5-62.6-177.5107.700116.2
576A54.6Low51.5Low70 Ų70134.4 Ų134.458%0.57981%0.809SS**  cis-165.4168.9-40.600000107.7
577M61.8Low51.8Low171 Ų171133.3 Ų133.384%0.84281%0.812SS**  trans68.2157.2167.6-47.9-56.1-176.800117.1
578D54.1Low52.2Low132 Ų132135.5 Ų135.571%0.70682%0.818SS**  cis-166-180-43.3-150.3-19.3000108.8
579T56Low52.1Low130 Ų130136.8 Ų136.880%0.79882%0.822SS**  trans74.6163.8161.158.30000119.8
580E57.9Low52.7Low194 Ų194134.1 Ų134.191%0.90783%0.825SS**  trans-108.2157.5-148.5-56162.3103.100115
581A54.5Low52.9Low178 Ų178137.6 Ų137.6100%1.47184%0.839SS**  trans-156.70146.500000110.7

Retrieved 581 of 581 residues in 758.1 ms (Link to these results)

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