A0A087XYZ2_POEFO Loading...

BTB/POZ domain-containing protein KCTD3

Accessory subunit of potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3 (HCN3) up-regulating its cell-surface expression and current density without affecting its voltage dependence and kinetics.

AlphaFold DB , UniProt , Accession A0A087XYZ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 855 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
1M32.5Very low56.7Low250 Ų250109.2 Ų109.2100%1.23265%0.651SS**  0131.50-70175.2172.600108
2S38.3Very low59.7Low121 Ų121108.3 Ų108.385%0.84664%0.635SS**PPolyproline II helixtrans-81.2128.5173.548.50000110.3
3S38Very low62.3Low102 Ų102100 Ų10071%0.71359%0.587SS**PPolyproline II helixtrans-65.4148167.741.30000110.6V5S3-V5 PolarHBondContact O-N 2.84Å
4P43.8Very low64.6Low116 Ų11693.8 Ų93.875%0.75355%0.55SS*.PPolyproline II helixtrans-64.9130.2173.327.5-33.7000109.6K6P4-K6 PolarHBondContact O-N 2.81Å; P4-K6 VanDerWaalsContact O-N 3.08Å
5V48Very low66.6Low110 Ų11087.5 Ų87.567%0.66751%0.513SS*.  trans-65.1110.3-178-1790000109.3S3 S7S3-V5 PolarHBondContact O-N 2.84Å; V5-S7 PolarHBondContact O-N 3.27Å
6K52.1Low68.1Low153 Ų15384.4 Ų84.467%0.66551%0.505SS*.  trans-72.1126.6173-71.2-179.6177.8178.80108.8P4 G8 D9P4-K6 PolarHBondContact O-N 2.81Å; P4-K6 VanDerWaalsContact O-N 3.08Å; K6-G8 PolarHBondContact O-N 3.11Å; K6-D9 PolarHBondContact O-N 3.31Å
7S50.1Low69.4Low109 Ų10982.8 Ų82.876%0.76251%0.51SS*.THydrogen-bonded Turntrans-66.44.7178.242.60000114.7V5V5-S7 PolarHBondContact O-N 3.27Å
8G57.8Low70.7Confident55 Ų5584.3 Ų84.357%0.56751%0.508SS*.THydrogen-bonded Turntrans-126.213.5178.500000115K6 I10K6-G8 PolarHBondContact O-N 3.11Å; G8-I10 PolarHBondContact O-N 3.22Å
9D82.1Confident71.9Confident56 Ų5686.5 Ų86.530%0.29951%0.507SS..PPolyproline II helixtrans-56.2123.1175.1-79.9-7.7000110.8K6 S23 R24K6-D9 PolarHBondContact O-N 3.31Å; D9-S23 CarbonylContact O-C 3.57Å; D9-S23 WeakPolarHBondContact O-CA 3.3Å; D9-R24 HydrophobicContact CB-CB 4.17Å; D9-R24 PolarHBondContact O-N 3.05Å; D9-R24 IonicContact OD2-NE 3.52Å; D9-R24 IonicContact OD2-NH2 4Å
10I89.7Confident73Confident111 Ų11183.5 Ų83.557%0.56949%0.487SS*.EExtended strand (participates in β ladder)trans-81.5128.4169.9-60.6175000108.1G8G8-I10 PolarHBondContact O-N 3.22Å
11I91.4Very high74Confident18 Ų1882.6 Ų82.69%0.09249%0.485CS..EExtended strand (participates in β ladder)trans-102.7130.6172.6-55-57.4000108.2L13 T22 R24 L27 L39 I53I11-L13 HydrophobicContact CG2-CD2 3.76Å; I11-L13 HydrophobicContact CG2-CG 4.25Å; I11-T22 PolarHBondContact N-O 3.23Å; I11-T22 PolarHBondContact O-N 3.21Å; I11-T22 VanDerWaalsContact O-N 3.09Å; I11-R24 HydrophobicContact CD1-CB 4.29Å; I11-R24 HydrophobicContact CG1-CB 4.02Å; I11-L27 HydrophobicContact CB-CD1 3.93Å; I11-L27 HydrophobicContact CG1-CD1 4.27Å; I11-L27 HydrophobicContact CG2-CD1 3.83Å; I11-L39 HydrophobicContact CD1-CD2 3.84Å; I11-L39 HydrophobicContact CG1-CD1 4.43Å; I11-L39 HydrophobicContact CG1-CD2 4.02Å; I11-L39 HydrophobicContact CG2-CD2 4.12Å; I11-I53 HydrophobicContact CG2-CD1 4.33Å
12H92.9Very high76.9Confident98 Ų9871.3 Ų71.345%0.45443%0.43SS..EExtended strand (participates in β ladder)trans-100.1127.2169.5-57.5-65000109.1F20 S21 A52 I53H12-F20 WeakPolarHBondContact CA-O 3.26Å; H12-S21 PolarHBondContact CE1-OG 3.39Å; H12-S21 PolarHBondContact ND1-OG 3.47Å; H12-A52 HydrophobicContact CB-CB 3.67Å; H12-A52 WeakPolarHBondContact O-CA 3.43Å; H12-I53 PolarHBondContact O-N 3.2Å
13L93.8Very high79.5Confident1 Ų167.2 Ų67.21%0.00540%0.402CS..EExtended strand (participates in β ladder)trans-116.1145.9174.7-55.8178.4000108.8I11 V15 R19 F20 L27 F35 I53 I55 F62I11-L13 HydrophobicContact CG2-CD2 3.76Å; I11-L13 HydrophobicContact CG2-CG 4.25Å; L13-V15 HydrophobicContact CB-CG2 4.28Å; L13-R19 CarbonylContact O-C 3.4Å; L13-R19 WeakPolarHBondContact O-CA 3.36Å; L13-F20 HydrophobicContact CB-CB 4.47Å; L13-F20 PolarHBondContact N-O 3.47Å; L13-F20 PolarHBondContact O-N 3.07Å; L13-L27 HydrophobicContact CD1-CD1 4.03Å; L13-L27 HydrophobicContact CD1-CD2 4.14Å; L13-L27 HydrophobicContact CD2-CD1 4.45Å; L13-L27 HydrophobicContact CG-CD1 4.44Å; L13-F35 HydrophobicContact CD1-CE1 4.23Å; L13-I53 CarbonylContact C-O 3.31Å; L13-I53 WeakPolarHBondContact CA-O 3.29Å; L13-I53 HydrophobicContact CD2-CB 4Å; L13-I53 HydrophobicContact CD2-CD1 4.36Å; L13-I55 HydrophobicContact CD1-CD1 4.36Å; L13-I55 HydrophobicContact CD2-CD1 4.3Å; L13-F62 HydrophobicContact CD1-CE1 4.15Å; L13-F62 HydrophobicContact CD1-CZ 3.75Å
14N93.8Very high82Confident13 Ų1365.5 Ų65.57%0.0738%0.38CS..EExtended strand (participates in β ladder)trans-119105.3168.7-177.6-17.2000107.3G17 K18 R19 D48 A52 I53 F54 I55N14-G17 WeakPolarHBondContact OD1-CA 3.36Å; N14-G17 PolarHBondContact OD1-N 3.37Å; N14-G17 VanDerWaalsContact OD1-N 3.09Å; N14-K18 PolarHBondContact OD1-N 3.18Å; N14-R19 HydrophobicContact CB-CG 4.37Å; N14-D48 PolarHBondContact ND2-OD2 3.39Å; N14-A52 HydrophobicContact CB-CB 4.39Å; N14-I53 PolarHBondContact N-O 2.81Å; N14-F54 HydrophobicContact CB-CD2 4.16Å; N14-F54 CarbonylContact O-C 3.49Å; N14-F54 VanDerWaalsContact O-CA 3.32Å; N14-F54 WeakPolarHBondContact O-CA 3.34Å; N14-F54 WeakPolarHBondContact O-CD2 3.49Å; N14-I55 PolarHBondContact O-N 2.85Å
15V95.1Very high84.2Confident0 Ų066.3 Ų66.30%037%0.374CS..EExtended strand (participates in β ladder)trans-106.3114.2-176.7-172.20000107.9L13 G17 K18 F20 I55 R57 P59 F62L13-V15 HydrophobicContact CB-CG2 4.28Å; V15-G17 PolarHBondContact O-N 3.49Å; V15-G17 VanDerWaalsContact O-N 3.09Å; V15-K18 PolarHBondContact N-O 3.5Å; V15-K18 PolarHBondContact O-N 2.7Å; V15-F20 HydrophobicContact CB-CD2 4.17Å; V15-F20 HydrophobicContact CB-CE2 3.98Å; V15-F20 HydrophobicContact CG2-CD2 3.97Å; V15-F20 HydrophobicContact CG2-CE2 4.24Å; V15-I55 CarbonylContact C-O 3.56Å; V15-I55 WeakPolarHBondContact CA-O 3.09Å; V15-I55 HydrophobicContact CG1-CB 4.44Å; V15-I55 HydrophobicContact CG1-CG2 4.3Å; V15-I55 HydrophobicContact CG2-CB 4.19Å; V15-I55 HydrophobicContact CG2-CD1 4.27Å; V15-R57 HydrophobicContact CG1-CB 4.11Å; V15-R57 WeakPolarHBondContact CG1-O 3.49Å; V15-P59 WeakPolarHBondContact O-CB 3.42Å; V15-F62 HydrophobicContact CB-CD1 4.15Å; V15-F62 HydrophobicContact CG1-CB 4.05Å; V15-F62 HydrophobicContact CG1-CD1 4.36Å; V15-F62 HydrophobicContact CG1-CG 4.24Å; V15-F62 HydrophobicContact CG2-CD1 3.57Å; V15-F62 HydrophobicContact CG2-CE1 3.77Å; V15-F62 HydrophobicContact CG2-CG 4.11Å; V15-F62 HydrophobicContact CG2-CZ 4.5Å
16G90.9Very high86.3Confident37 Ų3762.1 Ų62.138%0.38135%0.348SS..THydrogen-bonded Turntrans50.735.2-178.600000114.5I55 R57G16-I55 PolarHBondContact N-O 3.03Å; G16-R57 WeakPolarHBondContact CA-O 3.29Å; G16-R57 PolarHBondContact N-O 2.93Å
17G89.4Confident88.1Confident58 Ų5854.9 Ų54.960%0.59832%0.317SS*.THydrogen-bonded Turntrans91.3-9.3-178.100000115.6N14 V15N14-G17 WeakPolarHBondContact OD1-CA 3.36Å; N14-G17 PolarHBondContact OD1-N 3.37Å; N14-G17 VanDerWaalsContact OD1-N 3.09Å; V15-G17 PolarHBondContact O-N 3.49Å; V15-G17 VanDerWaalsContact O-N 3.09Å
18K93.1Very high90Very high110 Ų11052.5 Ų52.548%0.47830%0.298SS..EExtended strand (participates in β ladder)trans-101128.6178.5-167.6-176.4-174.8177.50111N14 V15 F20 P59N14-K18 PolarHBondContact OD1-N 3.18Å; V15-K18 PolarHBondContact N-O 3.5Å; V15-K18 PolarHBondContact O-N 2.7Å; K18-F20 HydrophobicContact CB-CE2 3.99Å; K18-F20 HydrophobicContact CD-CE2 3.97Å; K18-F20 HydrophobicContact CD-CZ 3.77Å; K18-F20 HydrophobicContact CG-CE2 4.02Å; K18-F20 HydrophobicContact CG-CZ 4.28Å; K18-F20 VanDerWaalsContact O-CD2 3.24Å; K18-F20 WeakPolarHBondContact O-CD2 3.3Å; K18-F20 WeakPolarHBondContact O-CE2 3.26Å; K18-P59 HydrophobicContact CB-CB 3.52Å; K18-P59 HydrophobicContact CB-CG 3.96Å; K18-P59 HydrophobicContact CD-CB 3.67Å; K18-P59 HydrophobicContact CD-CG 4.41Å; K18-P59 HydrophobicContact CG-CB 4.25Å
19R93.4Very high91.5Very high126 Ų12654 Ų5448%0.47529%0.287SS..EExtended strand (participates in β ladder)trans-81.8139.4179-69-172.4178.1131.216.5113.4L13 N14 D48 E50L13-R19 CarbonylContact O-C 3.4Å; L13-R19 WeakPolarHBondContact O-CA 3.36Å; N14-R19 HydrophobicContact CB-CG 4.37Å; R19-D48 IonicContact CZ-OD2 3.87Å; R19-D48 VanDerWaalsContact CZ-OD2 3.26Å; R19-D48 IonicContact NE-OD2 2.69Å; R19-D48 PolarHBondContact NE-OD2 2.97Å; R19-D48 IonicContact NH2-OD2 2.79Å; R19-D48 PolarHBondContact NH2-OD2 3.44Å; R19-E50 IonicContact CZ-OE1 3.93Å; R19-E50 VanDerWaalsContact CZ-OE1 3.23Å; R19-E50 IonicContact CZ-OE2 3.34Å; R19-E50 VanDerWaalsContact NH1-CD 3.32Å; R19-E50 IonicContact NH1-OE1 3.39Å; R19-E50 PolarHBondContact NH1-OE1 3.42Å; R19-E50 IonicContact NH1-OE2 2.71Å; R19-E50 IonicContact NH2-OE1 2.72Å; R19-E50 PolarHBondContact NH2-OE1 3.26Å; R19-E50 IonicContact NH2-OE2 2.76Å; R19-E50 PolarHBondContact NH2-OE2 3.38Å
20F94.8Very high91.8Very high25 Ų2551.7 Ų51.711%0.1127%0.274CS..EExtended strand (participates in β ladder)trans-131.8139.7175.2-64.9-95.5000109.9H12 L13 V15 K18 P59 F62 A63 L66H12-F20 WeakPolarHBondContact CA-O 3.26Å; L13-F20 HydrophobicContact CB-CB 4.47Å; L13-F20 PolarHBondContact N-O 3.47Å; L13-F20 PolarHBondContact O-N 3.07Å; V15-F20 HydrophobicContact CB-CD2 4.17Å; V15-F20 HydrophobicContact CB-CE2 3.98Å; V15-F20 HydrophobicContact CG2-CD2 3.97Å; V15-F20 HydrophobicContact CG2-CE2 4.24Å; K18-F20 HydrophobicContact CB-CE2 3.99Å; K18-F20 HydrophobicContact CD-CE2 3.97Å; K18-F20 HydrophobicContact CD-CZ 3.77Å; K18-F20 HydrophobicContact CG-CE2 4.02Å; K18-F20 HydrophobicContact CG-CZ 4.28Å; K18-F20 VanDerWaalsContact O-CD2 3.24Å; K18-F20 WeakPolarHBondContact O-CD2 3.3Å; K18-F20 WeakPolarHBondContact O-CE2 3.26Å; F20-P59 HydrophobicContact CE2-CB 3.93Å; F20-P59 HydrophobicContact CZ-CB 4.11Å; F20-P59 WeakPolarHBondContact CZ-O 3.32Å; F20-F62 HydrophobicContact CB-CE1 4.03Å; F20-F62 HydrophobicContact CD1-CD1 4.05Å; F20-F62 HydrophobicContact CD1-CE1 4.02Å; F20-F62 AromaticContact CD2-CD1 3.75Å; F20-F62 HydrophobicContact CD2-CD1 3.75Å; F20-F62 AromaticContact CD2-CE1 3.88Å; F20-F62 HydrophobicContact CD2-CE1 3.88Å; F20-F62 AromaticContact CE1-CD1 3.99Å; F20-F62 HydrophobicContact CE1-CD1 3.99Å; F20-F62 HydrophobicContact CE1-CE1 4.42Å; F20-F62 AromaticContact CE2-CD1 3.7Å; F20-F62 HydrophobicContact CE2-CD1 3.7Å; F20-F62 HydrophobicContact CE2-CE1 4.31Å; F20-F62 AromaticContact CG-CD1 3.92Å; F20-F62 HydrophobicContact CG-CD1 3.92Å; F20-F62 AromaticContact CG-CE1 3.72Å; F20-F62 HydrophobicContact CG-CE1 3.72Å; F20-F62 AromaticContact CZ-CD1 3.81Å; F20-F62 HydrophobicContact CZ-CD1 3.81Å; F20-A63 HydrophobicContact CE1-CB 4.04Å; F20-A63 HydrophobicContact CZ-CB 4.47Å; F20-L66 HydrophobicContact CB-CD2 4.12Å; F20-L66 HydrophobicContact CD1-CD2 3.8Å; F20-L66 HydrophobicContact CG-CD2 4.32Å
21S93.7Very high91.6Very high65 Ų6550.9 Ų50.946%0.45528%0.276SS..EExtended strand (participates in β ladder)trans-121.2133.4176.3-59.60000109.9H12 R70H12-S21 PolarHBondContact CE1-OG 3.39Å; H12-S21 PolarHBondContact ND1-OG 3.47Å; S21-R70 PolarHBondContact O-NH2 3.41Å
22T93.5Very high91.4Very high13 Ų1356.3 Ų56.38%0.0831%0.305CS..EExtended strand (participates in β ladder)trans-158.8166.6178.3-159.30000110.9I11 L27 L66I11-T22 PolarHBondContact N-O 3.23Å; I11-T22 PolarHBondContact O-N 3.21Å; I11-T22 VanDerWaalsContact O-N 3.09Å; T22-L27 HydrophobicContact CG2-CD1 3.64Å; T22-L27 HydrophobicContact CG2-CD2 3.9Å; T22-L27 HydrophobicContact CG2-CG 3.53Å; T22-L66 HydrophobicContact CG2-CD1 3.85Å
23S92.4Very high91.3Very high35 Ų3551.7 Ų51.725%0.24528%0.284CS..EExtended strand (participates in β ladder)trans-75.4151.717673.70000112D9 Q25 T26 L27D9-S23 CarbonylContact O-C 3.57Å; D9-S23 WeakPolarHBondContact O-CA 3.3Å; S23-Q25 PolarHBondContact O-N 2.87Å; S23-T26 WeakPolarHBondContact O-CB 3.29Å; S23-T26 PolarHBondContact O-N 3.31Å; S23-T26 VanDerWaalsContact O-N 3.14Å; S23-T26 PolarHBondContact OG-N 3.18Å; S23-T26 PolarHBondContact OG-OG1 3.09Å; S23-L27 PolarHBondContact O-N 2.75Å
24R89.9Confident91.2Very high66 Ų6653.9 Ų53.925%0.24929%0.294CS..Hα-helixtrans-49.5-42.3168.5179.4-177.4-76.7-85.51.3110.9D9 I11 T26 L27 T28 L39D9-R24 HydrophobicContact CB-CB 4.17Å; D9-R24 PolarHBondContact O-N 3.05Å; D9-R24 IonicContact OD2-NE 3.52Å; D9-R24 IonicContact OD2-NH2 4Å; I11-R24 HydrophobicContact CD1-CB 4.29Å; I11-R24 HydrophobicContact CG1-CB 4.02Å; R24-T26 PolarHBondContact O-N 3.06Å; R24-L27 PolarHBondContact O-N 3.08Å; R24-T28 HydrophobicContact CG-CG2 4.29Å; R24-T28 WeakPolarHBondContact O-CG2 3.28Å; R24-T28 PolarHBondContact O-N 3.12Å; R24-T28 PolarHBondContact O-OG1 3.44Å; R24-T28 VanDerWaalsContact O-OG1 3.12Å; R24-L39 HydrophobicContact CG-CD1 4.42Å; R24-L39 PolarHBondContact NH1-O 2.72Å
25Q89.8Confident91.1Very high134 Ų13453.3 Ų53.363%0.62629%0.29SS*.Hα-helixtrans-61.5-37.4-179.3-170.6-177.311.400113.6S23 W29S23-Q25 PolarHBondContact O-N 2.87Å; Q25-W29 PolarHBondContact O-N 3.27Å; Q25-W29 VanDerWaalsContact O-N 3.14Å
26T92Very high90.7Very high22 Ų2254.3 Ų54.314%0.13530%0.298CS..Hα-helixtrans-61.6-46.9174.2-61.40000111.1S23 R24 W29 L66 L69 R70S23-T26 WeakPolarHBondContact O-CB 3.29Å; S23-T26 PolarHBondContact O-N 3.31Å; S23-T26 VanDerWaalsContact O-N 3.14Å; S23-T26 PolarHBondContact OG-N 3.18Å; S23-T26 PolarHBondContact OG-OG1 3.09Å; R24-T26 PolarHBondContact O-N 3.06Å; T26-W29 PolarHBondContact O-N 2.94Å; T26-L66 HydrophobicContact CG2-CD1 4.12Å; T26-L69 HydrophobicContact CG2-CB 3.74Å; T26-R70 HydrophobicContact CG2-CG 3.7Å
27L91.6Very high90.5Very high1 Ų153.8 Ų53.81%0.00529%0.288CS..Hα-helixtrans-72.1-32.3-176.9-68.2175.8000112.6I11 L13 T22 S23 R24 F35 L39 L66 L69I11-L27 HydrophobicContact CB-CD1 3.93Å; I11-L27 HydrophobicContact CG1-CD1 4.27Å; I11-L27 HydrophobicContact CG2-CD1 3.83Å; L13-L27 HydrophobicContact CD1-CD1 4.03Å; L13-L27 HydrophobicContact CD1-CD2 4.14Å; L13-L27 HydrophobicContact CD2-CD1 4.45Å; L13-L27 HydrophobicContact CG-CD1 4.44Å; T22-L27 HydrophobicContact CG2-CD1 3.64Å; T22-L27 HydrophobicContact CG2-CD2 3.9Å; T22-L27 HydrophobicContact CG2-CG 3.53Å; S23-L27 PolarHBondContact O-N 2.75Å; R24-L27 PolarHBondContact O-N 3.08Å; L27-F35 HydrophobicContact CB-CB 3.98Å; L27-F35 HydrophobicContact CB-CG 4.45Å; L27-F35 HydrophobicContact CD2-CB 4.4Å; L27-F35 HydrophobicContact CD2-CD1 3.97Å; L27-F35 HydrophobicContact CD2-CD2 4.26Å; L27-F35 HydrophobicContact CD2-CE1 4.33Å; L27-F35 HydrophobicContact CD2-CG 3.95Å; L27-F35 WeakPolarHBondContact O-CB 3.27Å; L27-L39 HydrophobicContact CB-CD1 3.58Å; L27-L39 HydrophobicContact CD1-CD1 3.92Å; L27-L39 HydrophobicContact CG-CD1 4.42Å; L27-L66 HydrophobicContact CD2-CD1 4.34Å; L27-L69 HydrophobicContact CD2-CD1 4.34Å
28T89.9Confident90.4Very high59 Ų5951.5 Ų51.536%0.36226%0.262SS..THydrogen-bonded Turntrans-93.615.3176.1670000113.7R24 L39R24-T28 HydrophobicContact CG-CG2 4.29Å; R24-T28 WeakPolarHBondContact O-CG2 3.28Å; R24-T28 PolarHBondContact O-N 3.12Å; R24-T28 PolarHBondContact O-OG1 3.44Å; R24-T28 VanDerWaalsContact O-OG1 3.12Å; T28-L39 HydrophobicContact CG2-CB 4.35Å; T28-L39 HydrophobicContact CG2-CD1 3.9Å
29W89.1Confident90Very high87 Ų8747.4 Ų47.433%0.3325%0.245SC..SBendtrans-66.8-38.1177.4168.948.9000112Q25 T26 F68 L69 K72Q25-W29 PolarHBondContact O-N 3.27Å; Q25-W29 VanDerWaalsContact O-N 3.14Å; T26-W29 PolarHBondContact O-N 2.94Å; W29-F68 HydrophobicContact CH2-CE1 4.15Å; W29-F68 HydrophobicContact CH2-CZ 4.29Å; W29-F68 HydrophobicContact CZ3-CD1 4.27Å; W29-F68 AromaticContact CZ3-CE1 3.73Å; W29-F68 HydrophobicContact CZ3-CE1 3.73Å; W29-F68 HydrophobicContact CZ3-CZ 4.29Å; W29-L69 HydrophobicContact CE3-CD2 3.85Å; W29-L69 HydrophobicContact CZ3-CD2 4.28Å; W29-K72 VanDerWaalsContact CE2-CE 3.48Å; W29-K72 HydrophobicContact CE3-CG 4.43Å; W29-K72 HydrophobicContact CH2-CB 4.23Å; W29-K72 HydrophobicContact CH2-CD 3.96Å; W29-K72 HydrophobicContact CH2-CG 3.73Å; W29-K72 HydrophobicContact CZ2-CD 3.64Å; W29-K72 HydrophobicContact CZ2-CG 3.93Å; W29-K72 HydrophobicContact CZ3-CG 3.98Å
30V88.7Confident89.4Confident6 Ų644.4 Ų44.44%0.03624%0.244CC..SBendtrans-93.2114.4173.4-177.70000108.6S33 L69 I93 P95V30-S33 WeakPolarHBondContact O-CB 3.41Å; V30-S33 PolarHBondContact O-OG 3.41Å; V30-L69 HydrophobicContact CG2-CD2 4.01Å; V30-I93 HydrophobicContact CG2-CG2 4.22Å; V30-P95 HydrophobicContact CG1-CG 4.37Å; V30-P95 HydrophobicContact CG2-CG 4.16Å
31P85.5Confident88.5Confident94 Ų9446.2 Ų46.261%0.6127%0.27SS*.THydrogen-bonded Turntrans-66154.4175.730.3-35.4000110.8S33P31-S33 PolarHBondContact O-N 3.08Å
32D86Confident87.3Confident133 Ų13352.1 Ų52.171%0.71128%0.282SS*.THydrogen-bonded Turntrans56.64.2179.1-54.2-54.3000116.5S36D32-S36 VanDerWaalsContact CA-OG 3.26Å; D32-S36 WeakPolarHBondContact CA-OG 3.38Å; D32-S36 PolarHBondContact N-OG 3.49Å; D32-S36 VanDerWaalsContact N-OG 3.09Å
33S91.1Very high86.4Confident1 Ų154.5 Ų54.51%0.00729%0.293CS..SBendtrans-59.2161.4166.562.80000112.9V30 P31 F35 S36 S37V30-S33 WeakPolarHBondContact O-CB 3.41Å; V30-S33 PolarHBondContact O-OG 3.41Å; P31-S33 PolarHBondContact O-N 3.08Å; S33-F35 VanDerWaalsContact C-N 3.27Å; S33-F35 PolarHBondContact O-N 2.84Å; S33-S36 PolarHBondContact N-OG 3.44Å; S33-S36 PolarHBondContact O-N 3.49Å; S33-S36 PolarHBondContact O-OG 3.12Å; S33-S36 PolarHBondContact OG-N 3.48Å; S33-S37 PolarHBondContact O-N 3.21Å; S33-S37 VanDerWaalsContact O-N 3.12Å
34F90.9Very high85.1Confident47 Ų4758.5 Ų58.521%0.20632%0.322CS..Hα-helixtrans-47.8-50.1172.7172.9-97.7000111.4S36 S37 L38 I43 I55 F90 Y91F34-S36 PolarHBondContact O-N 2.92Å; F34-S37 PolarHBondContact O-N 2.9Å; F34-L38 HydrophobicContact CD1-CD2 4.46Å; F34-L38 HydrophobicContact CE1-CD1 4.09Å; F34-L38 HydrophobicContact CE1-CD2 3.84Å; F34-L38 HydrophobicContact CE1-CG 4.43Å; F34-L38 HydrophobicContact CZ-CD1 3.85Å; F34-L38 HydrophobicContact CZ-CD2 4.43Å; F34-L38 VanDerWaalsContact O-CB 3.29Å; F34-L38 WeakPolarHBondContact O-CB 3.4Å; F34-L38 PolarHBondContact O-N 3.25Å; F34-I43 HydrophobicContact CD2-CD1 4.35Å; F34-I43 HydrophobicContact CE2-CD1 4.46Å; F34-I55 HydrophobicContact CE1-CD1 3.94Å; F34-I55 HydrophobicContact CE1-CG1 4.29Å; F34-F90 HydrophobicContact CE2-CZ 4.48Å; F34-Y91 HydrophobicContact CB-CD1 4.49Å; F34-Y91 VanDerWaalsContact CB-O 3.28Å; F34-Y91 WeakPolarHBondContact CB-O 3.32Å; F34-Y91 AromaticContact CD1-CD1 3.86Å; F34-Y91 HydrophobicContact CD1-CD1 3.86Å; F34-Y91 HydrophobicContact CD1-CE1 4.41Å; F34-Y91 HydrophobicContact CE1-CD1 4.43Å; F34-Y91 HydrophobicContact CG-CD1 4.33Å; F34-Y91 PolarHBondContact N-O 3.15Å
35F91.4Very high84.5Confident0 Ų057.8 Ų57.80%033%0.325CS..Hα-helixtrans-66.8-33.4-178.1-55.8-68.9000113.5L13 L27 S33 L38 L39 I55 F62 L69 Y91 I93L13-F35 HydrophobicContact CD1-CE1 4.23Å; L27-F35 HydrophobicContact CB-CB 3.98Å; L27-F35 HydrophobicContact CB-CG 4.45Å; L27-F35 HydrophobicContact CD2-CB 4.4Å; L27-F35 HydrophobicContact CD2-CD1 3.97Å; L27-F35 HydrophobicContact CD2-CD2 4.26Å; L27-F35 HydrophobicContact CD2-CE1 4.33Å; L27-F35 HydrophobicContact CD2-CG 3.95Å; L27-F35 WeakPolarHBondContact O-CB 3.27Å; S33-F35 VanDerWaalsContact C-N 3.27Å; S33-F35 PolarHBondContact O-N 2.84Å; F35-L38 HydrophobicContact CD1-CD2 4.27Å; F35-L39 VanDerWaalsContact O-CB 3.25Å; F35-L39 WeakPolarHBondContact O-CB 3.25Å; F35-L39 VanDerWaalsContact O-CG 3.27Å; F35-L39 WeakPolarHBondContact O-CG 3.49Å; F35-L39 PolarHBondContact O-N 3.27Å; F35-I55 HydrophobicContact CE1-CD1 3.89Å; F35-F62 HydrophobicContact CE1-CE2 4.15Å; F35-F62 HydrophobicContact CE1-CZ 4.49Å; F35-F62 HydrophobicContact CE2-CE2 4.29Å; F35-F62 HydrophobicContact CZ-CD2 4.31Å; F35-F62 AromaticContact CZ-CE2 3.51Å; F35-F62 HydrophobicContact CZ-CE2 3.51Å; F35-F62 HydrophobicContact CZ-CZ 4.25Å; F35-L69 HydrophobicContact CD2-CD1 4.25Å; F35-L69 HydrophobicContact CE2-CD1 4.2Å; F35-Y91 AromaticContact CE1-CD1 3.97Å; F35-Y91 HydrophobicContact CE1-CD1 3.97Å; F35-Y91 HydrophobicContact CE1-CE1 4.14Å; F35-Y91 AromaticContact CE2-CD1 3.65Å; F35-Y91 HydrophobicContact CE2-CD1 3.65Å; F35-Y91 HydrophobicContact CE2-CE1 4.43Å; F35-Y91 AromaticContact CE2-CG 3.74Å; F35-Y91 HydrophobicContact CE2-CG 3.74Å; F35-Y91 AromaticContact CZ-CD1 3.21Å; F35-Y91 HydrophobicContact CZ-CD1 3.21Å; F35-Y91 HydrophobicContact CZ-CD2 4.4Å; F35-Y91 AromaticContact CZ-CE1 3.57Å; F35-Y91 HydrophobicContact CZ-CE1 3.57Å; F35-Y91 AromaticContact CZ-CG 3.7Å; F35-Y91 HydrophobicContact CZ-CG 3.7Å; F35-I93 HydrophobicContact CD2-CD1 4.13Å; F35-I93 HydrophobicContact CE2-CD1 4.24Å
36S87Confident84.1Confident22 Ų2257.5 Ų57.515%0.15433%0.327CS..Hα-helixtrans-64.9-41.5174.277.80000111.5D32 S33 F34 S40D32-S36 VanDerWaalsContact CA-OG 3.26Å; D32-S36 WeakPolarHBondContact CA-OG 3.38Å; D32-S36 PolarHBondContact N-OG 3.49Å; D32-S36 VanDerWaalsContact N-OG 3.09Å; S33-S36 PolarHBondContact N-OG 3.44Å; S33-S36 PolarHBondContact O-N 3.49Å; S33-S36 PolarHBondContact O-OG 3.12Å; S33-S36 PolarHBondContact OG-N 3.48Å; F34-S36 PolarHBondContact O-N 2.92Å; S36-S40 VanDerWaalsContact O-CB 3.3Å; S36-S40 WeakPolarHBondContact O-CB 3.43Å; S36-S40 PolarHBondContact O-N 3.16Å; S36-S40 PolarHBondContact O-OG 2.84Å
37S86.7Confident84Confident25 Ų2562.4 Ų62.418%0.17535%0.346CS..Hα-helixtrans-69.1-43176.3-69.90000111.9S33 F34 L39 S40 G41 R42S33-S37 PolarHBondContact O-N 3.21Å; S33-S37 VanDerWaalsContact O-N 3.12Å; F34-S37 PolarHBondContact O-N 2.9Å; S37-L39 PolarHBondContact O-N 3.07Å; S37-S40 PolarHBondContact O-N 3.03Å; S37-S40 PolarHBondContact O-OG 3.4Å; S37-G41 PolarHBondContact O-N 3.14Å; S37-R42 PolarHBondContact O-N 3.2Å
38L87.3Confident83.8Confident10 Ų1063.6 Ų63.65%0.05235%0.353CS..Hα-helixtrans-54.7-51.3173.3-162.376.9000111.6F34 F35 S40 G41 I43 T45 I53 I55F34-L38 HydrophobicContact CD1-CD2 4.46Å; F34-L38 HydrophobicContact CE1-CD1 4.09Å; F34-L38 HydrophobicContact CE1-CD2 3.84Å; F34-L38 HydrophobicContact CE1-CG 4.43Å; F34-L38 HydrophobicContact CZ-CD1 3.85Å; F34-L38 HydrophobicContact CZ-CD2 4.43Å; F34-L38 VanDerWaalsContact O-CB 3.29Å; F34-L38 WeakPolarHBondContact O-CB 3.4Å; F34-L38 PolarHBondContact O-N 3.25Å; F35-L38 HydrophobicContact CD1-CD2 4.27Å; L38-S40 VanDerWaalsContact C-N 3.3Å; L38-S40 PolarHBondContact O-N 2.82Å; L38-G41 PolarHBondContact O-N 2.94Å; L38-I43 HydrophobicContact CD1-CB 4.41Å; L38-I43 HydrophobicContact CD1-CG2 4.23Å; L38-T45 HydrophobicContact CD1-CG2 3.54Å; L38-T45 HydrophobicContact CG-CG2 3.81Å; L38-I53 HydrophobicContact CD1-CG2 4.37Å; L38-I53 HydrophobicContact CD2-CD1 4.42Å; L38-I53 HydrophobicContact CD2-CG2 4.02Å; L38-I53 HydrophobicContact CG-CG2 4.37Å; L38-I55 HydrophobicContact CD2-CD1 4.44Å
39L85.3Confident83.6Confident24 Ų2468.9 Ų68.913%0.12638%0.379CS..Hα-helixtrans-80.4-8.2-176.2-67.3172.3000114.4I11 R24 L27 T28 F35 S37 I53I11-L39 HydrophobicContact CD1-CD2 3.84Å; I11-L39 HydrophobicContact CG1-CD1 4.43Å; I11-L39 HydrophobicContact CG1-CD2 4.02Å; I11-L39 HydrophobicContact CG2-CD2 4.12Å; R24-L39 HydrophobicContact CG-CD1 4.42Å; R24-L39 PolarHBondContact NH1-O 2.72Å; L27-L39 HydrophobicContact CB-CD1 3.58Å; L27-L39 HydrophobicContact CD1-CD1 3.92Å; L27-L39 HydrophobicContact CG-CD1 4.42Å; T28-L39 HydrophobicContact CG2-CB 4.35Å; T28-L39 HydrophobicContact CG2-CD1 3.9Å; F35-L39 VanDerWaalsContact O-CB 3.25Å; F35-L39 WeakPolarHBondContact O-CB 3.25Å; F35-L39 VanDerWaalsContact O-CG 3.27Å; F35-L39 WeakPolarHBondContact O-CG 3.49Å; F35-L39 PolarHBondContact O-N 3.27Å; S37-L39 PolarHBondContact O-N 3.07Å; L39-I53 HydrophobicContact CD2-CD1 4.23Å
40S81.1Confident83.4Confident63 Ų6370.9 Ų70.944%0.44139%0.392SS..THydrogen-bonded Turntrans-86.7-9.4169.275.40000113.8S36 S37 L38 R42S36-S40 VanDerWaalsContact O-CB 3.3Å; S36-S40 WeakPolarHBondContact O-CB 3.43Å; S36-S40 PolarHBondContact O-N 3.16Å; S36-S40 PolarHBondContact O-OG 2.84Å; S37-S40 PolarHBondContact O-N 3.03Å; S37-S40 PolarHBondContact O-OG 3.4Å; L38-S40 VanDerWaalsContact C-N 3.3Å; L38-S40 PolarHBondContact O-N 2.82Å; S40-R42 VanDerWaalsContact C-N 3.3Å; S40-R42 PolarHBondContact O-N 3.45Å; S40-R42 WeakPolarHBondContact OG-CD 3.41Å; S40-R42 VanDerWaalsContact OG-CG 3.26Å; S40-R42 WeakPolarHBondContact OG-CG 3.49Å; S40-R42 PolarHBondContact OG-N 3.24Å
41G76.2Confident83.3Confident64 Ų6472.3 Ų72.366%0.6641%0.408SS*.THydrogen-bonded Turntrans787.6-176.500000114.9S37 L38 I43S37-G41 PolarHBondContact O-N 3.14Å; L38-G41 PolarHBondContact O-N 2.94Å; G41-I43 VanDerWaalsContact C-N 3.28Å
42R68.9Low83.4Confident188 Ų18868.1 Ų68.171%0.70938%0.381SS*.SBendtrans-71.3-21.9174-69.6172.2-175.1167.90.1113.3S37 S40S37-R42 PolarHBondContact O-N 3.2Å; S40-R42 VanDerWaalsContact C-N 3.3Å; S40-R42 PolarHBondContact O-N 3.45Å; S40-R42 WeakPolarHBondContact OG-CD 3.41Å; S40-R42 VanDerWaalsContact OG-CG 3.26Å; S40-R42 WeakPolarHBondContact OG-CG 3.49Å; S40-R42 PolarHBondContact OG-N 3.24Å
43I74.1Confident83.7Confident63 Ų6362.7 Ų62.732%0.32335%0.351SS..SBendtrans-112.8132.7179.1-56.4177.8000108F34 L38 G41 T45F34-I43 HydrophobicContact CD2-CD1 4.35Å; F34-I43 HydrophobicContact CE2-CD1 4.46Å; L38-I43 HydrophobicContact CD1-CB 4.41Å; L38-I43 HydrophobicContact CD1-CG2 4.23Å; G41-I43 VanDerWaalsContact C-N 3.28Å; I43-T45 PolarHBondContact O-N 3.41Å
44S64.3Low83.7Confident120 Ų12066.1 Ų66.184%0.83937%0.367SS*.  trans-63.9130.6174-169.80000110.1
45T76.9Confident83.8Confident51 Ų5164.3 Ų64.331%0.31336%0.359SS..  trans-107.1109.1-177.539.30000110.5L38 I43 I53L38-T45 HydrophobicContact CD1-CG2 3.54Å; L38-T45 HydrophobicContact CG-CG2 3.81Å; I43-T45 PolarHBondContact O-N 3.41Å; T45-I53 HydrophobicContact CG2-CD1 4.26Å; T45-I53 HydrophobicContact CG2-CG1 4.36Å; T45-I53 HydrophobicContact CG2-CG2 3.62Å
46L82.9Confident83.8Confident127 Ų12770.7 Ų70.767%0.66539%0.393SS*.  trans-63.1149159.2-68.5176.2000109F54L46-F54 HydrophobicContact CB-CB 4.31Å; L46-F54 PolarHBondContact O-N 2.84Å
47K88.7Confident84.1Confident126 Ų12673.3 Ų73.355%0.54840%0.4SS..BIsolated β-bridgetrans-136.3151.3179-67.4-177.2169.8-157.70110.3G51 A52K47-G51 WeakPolarHBondContact CD-O 3.45Å; K47-A52 WeakPolarHBondContact CA-O 3.37Å; K47-A52 WeakPolarHBondContact CB-O 3.42Å
48D88Confident84.3Confident26 Ų2675 Ų7514%0.13941%0.407CS..  trans-77173.316663.110.1000111.6N14 R19 E50 G51 A52N14-D48 PolarHBondContact ND2-OD2 3.39Å; R19-D48 IonicContact CZ-OD2 3.87Å; R19-D48 VanDerWaalsContact CZ-OD2 3.26Å; R19-D48 IonicContact NE-OD2 2.69Å; R19-D48 PolarHBondContact NE-OD2 2.97Å; R19-D48 IonicContact NH2-OD2 2.79Å; R19-D48 PolarHBondContact NH2-OD2 3.44Å; D48-E50 PolarHBondContact O-N 3.35Å; D48-E50 VanDerWaalsContact O-N 3.16Å; D48-G51 WeakPolarHBondContact O-CA 3.18Å; D48-G51 PolarHBondContact O-N 3.22Å; D48-G51 PolarHBondContact OD1-N 3.32Å; D48-G51 VanDerWaalsContact OD1-N 3.16Å; D48-A52 PolarHBondContact N-O 3.22Å; D48-A52 VanDerWaalsContact N-O 3.08Å; D48-A52 WeakPolarHBondContact OD1-CA 3.42Å; D48-A52 WeakPolarHBondContact OD1-CB 3.01Å; D48-A52 PolarHBondContact OD1-N 2.97Å
49D86.3Confident84.5Confident170 Ų17075.8 Ų75.891%0.90941%0.412SS*.THydrogen-bonded Turntrans-60.9-25.1-174.8-61.2-52.1000112.8
50E84.1Confident84.7Confident129 Ų12978.2 Ų78.260%0.60343%0.431SS*.THydrogen-bonded Turntrans-924.7174.5-56.299.5122.800114R19 D48R19-E50 IonicContact CZ-OE1 3.93Å; R19-E50 VanDerWaalsContact CZ-OE1 3.23Å; R19-E50 IonicContact CZ-OE2 3.34Å; R19-E50 VanDerWaalsContact NH1-CD 3.32Å; R19-E50 IonicContact NH1-OE1 3.39Å; R19-E50 PolarHBondContact NH1-OE1 3.42Å; R19-E50 IonicContact NH1-OE2 2.71Å; R19-E50 IonicContact NH2-OE1 2.72Å; R19-E50 PolarHBondContact NH2-OE1 3.26Å; R19-E50 IonicContact NH2-OE2 2.76Å; R19-E50 PolarHBondContact NH2-OE2 3.38Å; D48-E50 PolarHBondContact O-N 3.35Å; D48-E50 VanDerWaalsContact O-N 3.16Å
51G85.7Confident85.2Confident36 Ų3676 Ų7637%0.37141%0.414SS..  trans85.18.9167.600000116.4K47 D48K47-G51 WeakPolarHBondContact CD-O 3.45Å; D48-G51 WeakPolarHBondContact O-CA 3.18Å; D48-G51 PolarHBondContact O-N 3.22Å; D48-G51 PolarHBondContact OD1-N 3.32Å; D48-G51 VanDerWaalsContact OD1-N 3.16Å
52A89.4Confident86Confident6 Ų673 Ų735%0.0538%0.383CS..PPolyproline II helixtrans-73.8145.8171.600000110.5H12 N14 K47 D48 F54H12-A52 HydrophobicContact CB-CB 3.67Å; H12-A52 WeakPolarHBondContact O-CA 3.43Å; N14-A52 HydrophobicContact CB-CB 4.39Å; K47-A52 WeakPolarHBondContact CA-O 3.37Å; K47-A52 WeakPolarHBondContact CB-O 3.42Å; D48-A52 PolarHBondContact N-O 3.22Å; D48-A52 VanDerWaalsContact N-O 3.08Å; D48-A52 WeakPolarHBondContact OD1-CA 3.42Å; D48-A52 WeakPolarHBondContact OD1-CB 3.01Å; D48-A52 PolarHBondContact OD1-N 2.97Å; A52-F54 PolarHBondContact O-N 3.11Å
53I91.2Very high87Confident18 Ų1865.2 Ų65.29%0.09236%0.359CS..EExtended strand (participates in β ladder)trans-74.3121.4-176.8-57.2168.1000109.4I11 H12 L13 N14 L38 L39 T45I11-I53 HydrophobicContact CG2-CD1 4.33Å; H12-I53 PolarHBondContact O-N 3.2Å; L13-I53 CarbonylContact C-O 3.31Å; L13-I53 WeakPolarHBondContact CA-O 3.29Å; L13-I53 HydrophobicContact CD2-CB 4Å; L13-I53 HydrophobicContact CD2-CD1 4.36Å; N14-I53 PolarHBondContact N-O 2.81Å; L38-I53 HydrophobicContact CD1-CG2 4.37Å; L38-I53 HydrophobicContact CD2-CD1 4.42Å; L38-I53 HydrophobicContact CD2-CG2 4.02Å; L38-I53 HydrophobicContact CG-CG2 4.37Å; L39-I53 HydrophobicContact CD2-CD1 4.23Å; T45-I53 HydrophobicContact CG2-CD1 4.26Å; T45-I53 HydrophobicContact CG2-CG1 4.36Å; T45-I53 HydrophobicContact CG2-CG2 3.62Å
54F91.9Very high87.8Confident74 Ų7463.2 Ų63.233%0.32535%0.35SS..EExtended strand (participates in β ladder)trans-81.3138.5179.6-174.4-107.6000112N14 L46 A52 D56N14-F54 HydrophobicContact CB-CD2 4.16Å; N14-F54 CarbonylContact O-C 3.49Å; N14-F54 VanDerWaalsContact O-CA 3.32Å; N14-F54 WeakPolarHBondContact O-CA 3.34Å; N14-F54 WeakPolarHBondContact O-CD2 3.49Å; L46-F54 HydrophobicContact CB-CB 4.31Å; L46-F54 PolarHBondContact O-N 2.84Å; A52-F54 PolarHBondContact O-N 3.11Å; F54-D56 HydrophobicContact CE1-CB 3.85Å; F54-D56 HydrophobicContact CZ-CB 4.28Å
55I92Very high89.2Confident8 Ų857.5 Ų57.54%0.04131%0.31CS..EExtended strand (participates in β ladder)trans-137.1118.1178.6-61.5173.9000107.6L13 N14 V15 G16 F34 F35 L38 R57 Y91L13-I55 HydrophobicContact CD1-CD1 4.36Å; L13-I55 HydrophobicContact CD2-CD1 4.3Å; N14-I55 PolarHBondContact O-N 2.85Å; V15-I55 CarbonylContact C-O 3.56Å; V15-I55 WeakPolarHBondContact CA-O 3.09Å; V15-I55 HydrophobicContact CG1-CB 4.44Å; V15-I55 HydrophobicContact CG1-CG2 4.3Å; V15-I55 HydrophobicContact CG2-CB 4.19Å; V15-I55 HydrophobicContact CG2-CD1 4.27Å; G16-I55 PolarHBondContact N-O 3.03Å; F34-I55 HydrophobicContact CE1-CD1 3.94Å; F34-I55 HydrophobicContact CE1-CG1 4.29Å; F35-I55 HydrophobicContact CE1-CD1 3.89Å; L38-I55 HydrophobicContact CD2-CD1 4.44Å; I55-R57 HydrophobicContact CG2-CB 4.14Å; I55-R57 HydrophobicContact CG2-CG 3.81Å; I55-R57 PolarHBondContact O-N 3.44Å; I55-R57 VanDerWaalsContact O-N 3.09Å; I55-Y91 HydrophobicContact CG2-CE1 4.15Å
56D91.9Very high89.9Confident134 Ų13455.1 Ų55.172%0.71730%0.295SS*.  trans-86.576.6-178-161.823.5000111.1F54F54-D56 HydrophobicContact CE1-CB 3.85Å; F54-D56 HydrophobicContact CZ-CB 4.28Å
57R93.4Very high90.3Very high78 Ų7853.1 Ų53.129%0.29429%0.286SS..SBendtrans-147169.2179.8-63.2-58.7-68.5-168.92.4110.4V15 G16 I55 P59 E87 F90 Y91V15-R57 HydrophobicContact CG1-CB 4.11Å; V15-R57 WeakPolarHBondContact CG1-O 3.49Å; G16-R57 WeakPolarHBondContact CA-O 3.29Å; G16-R57 PolarHBondContact N-O 2.93Å; I55-R57 HydrophobicContact CG2-CB 4.14Å; I55-R57 HydrophobicContact CG2-CG 3.81Å; I55-R57 PolarHBondContact O-N 3.44Å; I55-R57 VanDerWaalsContact O-N 3.09Å; R57-P59 VanDerWaalsContact O-CD 3.28Å; R57-P59 WeakPolarHBondContact O-CD 3.48Å; R57-E87 IonicContact CZ-OE1 2.62Å; R57-E87 IonicContact NE-OE1 2.66Å; R57-E87 PolarHBondContact NE-OE1 3.23Å; R57-E87 IonicContact NE-OE2 2.88Å; R57-E87 PolarHBondContact NE-OE2 3.23Å; R57-E87 IonicContact NH2-OE1 3.15Å; R57-E87 PolarHBondContact NH2-OE1 3.08Å; R57-F90 HydrophobicContact CG-CD1 3.89Å; R57-F90 HydrophobicContact CG-CE1 3.44Å; R57-F90 VanDerWaalsContact CG-CE1 3.44Å; R57-F90 HydrophobicContact CG-CZ 3.93Å; R57-Y91 WeakPolarHBondContact CB-OH 3.48Å; R57-Y91 WeakPolarHBondContact CG-OH 3.48Å
58D89.9Confident90.5Very high61 Ų6147.5 Ų47.533%0.32626%0.261SS..  trans-70.8119.4-179.9174.132.2000113.1S60 L61 F62D58-S60 VanDerWaalsContact CG-N 3.32Å; D58-S60 PolarHBondContact O-N 3.3Å; D58-S60 WeakPolarHBondContact OD1-CB 3.46Å; D58-S60 PolarHBondContact OD1-N 2.79Å; D58-S60 WeakPolarHBondContact OD2-CB 3.47Å; D58-S60 PolarHBondContact OD2-N 2.92Å; D58-S60 PolarHBondContact OD2-OG 2.84Å; D58-L61 HydrophobicContact CB-CD1 4.47Å; D58-L61 VanDerWaalsContact OD2-CG 3.31Å; D58-L61 WeakPolarHBondContact OD2-CG 3.24Å; D58-L61 PolarHBondContact OD2-N 2.91Å; D58-F62 PolarHBondContact O-N 3.33Å; D58-F62 VanDerWaalsContact O-N 3.16Å
59P92.5Very high90.7Very high25 Ų2546.5 Ų46.516%0.16226%0.256CS..Hα-helixtrans-69.3-12.9173.426.3-33.7000115.5V15 K18 F20 R57V15-P59 WeakPolarHBondContact O-CB 3.42Å; K18-P59 HydrophobicContact CB-CB 3.52Å; K18-P59 HydrophobicContact CB-CG 3.96Å; K18-P59 HydrophobicContact CD-CB 3.67Å; K18-P59 HydrophobicContact CD-CG 4.41Å; K18-P59 HydrophobicContact CG-CB 4.25Å; F20-P59 HydrophobicContact CE2-CB 3.93Å; F20-P59 HydrophobicContact CZ-CB 4.11Å; F20-P59 WeakPolarHBondContact CZ-O 3.32Å; R57-P59 VanDerWaalsContact O-CD 3.28Å; R57-P59 WeakPolarHBondContact O-CD 3.48Å
60S89.4Confident90.9Very high75 Ų7544.1 Ų44.152%0.52423%0.234SC..Hα-helixtrans-71.9-49.2174.9102.50000110.5D58 P64D58-S60 VanDerWaalsContact CG-N 3.32Å; D58-S60 PolarHBondContact O-N 3.3Å; D58-S60 WeakPolarHBondContact OD1-CB 3.46Å; D58-S60 PolarHBondContact OD1-N 2.79Å; D58-S60 WeakPolarHBondContact OD2-CB 3.47Å; D58-S60 PolarHBondContact OD2-N 2.92Å; D58-S60 PolarHBondContact OD2-OG 2.84Å; S60-P64 WeakPolarHBondContact O-CD 3.32Å
61L90.4Very high91.1Very high17 Ų1740.6 Ų40.69%0.08922%0.224CC..Hα-helixtrans-75.2-30.3178.5-64.3168.6000113.3D58 A63 P64 I65 I79 M83 E87D58-L61 HydrophobicContact CB-CD1 4.47Å; D58-L61 VanDerWaalsContact OD2-CG 3.31Å; D58-L61 WeakPolarHBondContact OD2-CG 3.24Å; D58-L61 PolarHBondContact OD2-N 2.91Å; L61-A63 VanDerWaalsContact C-N 3.29Å; L61-A63 PolarHBondContact O-N 3.41Å; L61-P64 WeakPolarHBondContact O-CD 3.39Å; L61-I65 PolarHBondContact O-N 2.91Å; L61-I79 HydrophobicContact CD2-CG2 3.73Å; L61-M83 HydrophobicContact CD1-CB 3.95Å; L61-M83 HydrophobicContact CD2-CB 4Å; L61-E87 HydrophobicContact CB-CG 3.71Å; L61-E87 HydrophobicContact CD1-CG 3.86Å; L61-E87 HydrophobicContact CG-CG 4.43Å
62F93.6Very high91.2Very high0 Ų044.5 Ų44.50%023%0.231CC..Hα-helixtrans-64.6-29.3177178.2-114.4000113.7L13 V15 F20 F35 D58 I65 L66 Y91L13-F62 HydrophobicContact CD1-CE1 4.15Å; L13-F62 HydrophobicContact CD1-CZ 3.75Å; V15-F62 HydrophobicContact CB-CD1 4.15Å; V15-F62 HydrophobicContact CG1-CB 4.05Å; V15-F62 HydrophobicContact CG1-CD1 4.36Å; V15-F62 HydrophobicContact CG1-CG 4.24Å; V15-F62 HydrophobicContact CG2-CD1 3.57Å; V15-F62 HydrophobicContact CG2-CE1 3.77Å; V15-F62 HydrophobicContact CG2-CG 4.11Å; V15-F62 HydrophobicContact CG2-CZ 4.5Å; F20-F62 HydrophobicContact CB-CE1 4.03Å; F20-F62 HydrophobicContact CD1-CD1 4.05Å; F20-F62 HydrophobicContact CD1-CE1 4.02Å; F20-F62 AromaticContact CD2-CD1 3.75Å; F20-F62 HydrophobicContact CD2-CD1 3.75Å; F20-F62 AromaticContact CD2-CE1 3.88Å; F20-F62 HydrophobicContact CD2-CE1 3.88Å; F20-F62 AromaticContact CE1-CD1 3.99Å; F20-F62 HydrophobicContact CE1-CD1 3.99Å; F20-F62 HydrophobicContact CE1-CE1 4.42Å; F20-F62 AromaticContact CE2-CD1 3.7Å; F20-F62 HydrophobicContact CE2-CD1 3.7Å; F20-F62 HydrophobicContact CE2-CE1 4.31Å; F20-F62 AromaticContact CG-CD1 3.92Å; F20-F62 HydrophobicContact CG-CD1 3.92Å; F20-F62 AromaticContact CG-CE1 3.72Å; F20-F62 HydrophobicContact CG-CE1 3.72Å; F20-F62 AromaticContact CZ-CD1 3.81Å; F20-F62 HydrophobicContact CZ-CD1 3.81Å; F35-F62 HydrophobicContact CE1-CE2 4.15Å; F35-F62 HydrophobicContact CE1-CZ 4.49Å; F35-F62 HydrophobicContact CE2-CE2 4.29Å; F35-F62 HydrophobicContact CZ-CD2 4.31Å; F35-F62 AromaticContact CZ-CE2 3.51Å; F35-F62 HydrophobicContact CZ-CE2 3.51Å; F35-F62 HydrophobicContact CZ-CZ 4.25Å; D58-F62 PolarHBondContact O-N 3.33Å; D58-F62 VanDerWaalsContact O-N 3.16Å; F62-I65 HydrophobicContact CD2-CB 4.09Å; F62-I65 HydrophobicContact CD2-CG2 4.37Å; F62-I65 HydrophobicContact CE2-CG2 4.41Å; F62-I65 WeakPolarHBondContact O-CB 3.46Å; F62-I65 PolarHBondContact O-N 2.87Å; F62-I65 VanDerWaalsContact O-N 3.17Å; F62-L66 HydrophobicContact CE1-CB 4.13Å; F62-L66 HydrophobicContact CE1-CD2 3.93Å; F62-L66 HydrophobicContact CE2-CB 4.22Å; F62-L66 HydrophobicContact CZ-CB 3.9Å; F62-L66 HydrophobicContact CZ-CD1 4.33Å; F62-L66 HydrophobicContact CZ-CD2 4.16Å; F62-L66 HydrophobicContact CZ-CG 4.35Å; F62-L66 WeakPolarHBondContact O-CB 3.47Å; F62-L66 PolarHBondContact O-N 3.12Å; F62-Y91 AromaticContact CD2-CE2 3.91Å; F62-Y91 HydrophobicContact CD2-CE2 3.91Å; F62-Y91 AromaticContact CD2-CZ 3.89Å
63A90.4Very high90.7Very high26 Ų2649.2 Ų49.222%0.21525%0.251CS..Hα-helixtrans-61.9-46.317900000113F20 L61 L66 N67F20-A63 HydrophobicContact CE1-CB 4.04Å; F20-A63 HydrophobicContact CZ-CB 4.47Å; L61-A63 VanDerWaalsContact C-N 3.29Å; L61-A63 PolarHBondContact O-N 3.41Å; A63-L66 PolarHBondContact O-N 3.14Å; A63-N67 WeakPolarHBondContact O-CB 3.46Å; A63-N67 VanDerWaalsContact O-CG 3.28Å; A63-N67 PolarHBondContact O-N 3.19Å; A63-N67 PolarHBondContact O-ND2 2.82Å
64P90.7Very high90.1Very high20 Ų2049.4 Ų49.413%0.1325%0.252CS..Hα-helixtrans-52-48.4164.1-29.932.2000115.2S60 L61 L66 N67 F68 I79 L84S60-P64 WeakPolarHBondContact O-CD 3.32Å; L61-P64 WeakPolarHBondContact O-CD 3.39Å; P64-L66 VanDerWaalsContact C-N 3.35Å; P64-L66 PolarHBondContact O-N 2.8Å; P64-N67 PolarHBondContact O-N 3.14Å; P64-F68 PolarHBondContact O-N 2.85Å; P64-I79 HydrophobicContact CB-CD1 4.42Å; P64-I79 HydrophobicContact CG-CD1 3.85Å; P64-I79 HydrophobicContact CG-CG1 3.75Å; P64-L84 HydrophobicContact CB-CD1 3.76Å; P64-L84 HydrophobicContact CB-CD2 4.09Å; P64-L84 HydrophobicContact CG-CD1 4.49Å
65I92.8Very high89.1Confident0 Ų053.4 Ų53.40%027%0.266CS..Hα-helixtrans-55.9-50.7177.8-56.7-66.6000110.2L61 F62 N67 F68 L69 L84 E87 A88 Y91 I93 L96L61-I65 PolarHBondContact O-N 2.91Å; F62-I65 HydrophobicContact CD2-CB 4.09Å; F62-I65 HydrophobicContact CD2-CG2 4.37Å; F62-I65 HydrophobicContact CE2-CG2 4.41Å; F62-I65 WeakPolarHBondContact O-CB 3.46Å; F62-I65 PolarHBondContact O-N 2.87Å; F62-I65 VanDerWaalsContact O-N 3.17Å; I65-N67 VanDerWaalsContact C-N 3.32Å; I65-N67 PolarHBondContact O-N 3.18Å; I65-F68 PolarHBondContact O-N 3.49Å; I65-L69 HydrophobicContact CG2-CD1 4.42Å; I65-L69 WeakPolarHBondContact O-CG 3.47Å; I65-L69 PolarHBondContact O-N 3.25Å; I65-L84 HydrophobicContact CD1-CD1 3.55Å; I65-L84 HydrophobicContact CD1-CG 4.38Å; I65-L84 HydrophobicContact CG1-CD1 4Å; I65-E87 HydrophobicContact CD1-CB 4.09Å; I65-E87 HydrophobicContact CG1-CB 4.25Å; I65-A88 HydrophobicContact CD1-CB 3.95Å; I65-Y91 HydrophobicContact CD1-CD2 4.46Å; I65-Y91 HydrophobicContact CG1-CD2 4.06Å; I65-Y91 HydrophobicContact CG1-CE2 4.17Å; I65-Y91 HydrophobicContact CG2-CD2 4Å; I65-I93 HydrophobicContact CG2-CG1 4.27Å; I65-L96 HydrophobicContact CD1-CD2 3.53Å
66L92.9Very high87.6Confident1 Ų155.4 Ų55.41%0.00528%0.28CS..Hα-helixtrans-65.4-34.4-178.3-179.458.3000112.5F20 T22 T26 L27 F62 A63 P64 L69 R70F20-L66 HydrophobicContact CB-CD2 4.12Å; F20-L66 HydrophobicContact CD1-CD2 3.8Å; F20-L66 HydrophobicContact CG-CD2 4.32Å; T22-L66 HydrophobicContact CG2-CD1 3.85Å; T26-L66 HydrophobicContact CG2-CD1 4.12Å; L27-L66 HydrophobicContact CD2-CD1 4.34Å; F62-L66 HydrophobicContact CE1-CB 4.13Å; F62-L66 HydrophobicContact CE1-CD2 3.93Å; F62-L66 HydrophobicContact CE2-CB 4.22Å; F62-L66 HydrophobicContact CZ-CB 3.9Å; F62-L66 HydrophobicContact CZ-CD1 4.33Å; F62-L66 HydrophobicContact CZ-CD2 4.16Å; F62-L66 HydrophobicContact CZ-CG 4.35Å; F62-L66 WeakPolarHBondContact O-CB 3.47Å; F62-L66 PolarHBondContact O-N 3.12Å; A63-L66 PolarHBondContact O-N 3.14Å; P64-L66 VanDerWaalsContact C-N 3.35Å; P64-L66 PolarHBondContact O-N 2.8Å; L66-L69 PolarHBondContact O-N 2.98Å; L66-R70 WeakPolarHBondContact O-CD 3.29Å; L66-R70 VanDerWaalsContact O-CG 3.28Å; L66-R70 WeakPolarHBondContact O-CG 3.28Å; L66-R70 PolarHBondContact O-N 3.26Å
67N91.2Very high86Confident86 Ų8660.8 Ų60.846%0.4629%0.291SS..Hα-helixtrans-70.2-40.1174.6-73.1-18.1000111.8A63 P64 I65 L69 R70 S71A63-N67 WeakPolarHBondContact O-CB 3.46Å; A63-N67 VanDerWaalsContact O-CG 3.28Å; A63-N67 PolarHBondContact O-N 3.19Å; A63-N67 PolarHBondContact O-ND2 2.82Å; P64-N67 PolarHBondContact O-N 3.14Å; I65-N67 VanDerWaalsContact C-N 3.32Å; I65-N67 PolarHBondContact O-N 3.18Å; N67-L69 VanDerWaalsContact C-N 3.32Å; N67-L69 PolarHBondContact O-N 3.23Å; N67-R70 WeakPolarHBondContact O-CB 3.16Å; N67-R70 PolarHBondContact O-N 3.03Å; N67-R70 PolarHBondContact OD1-NH1 3.17Å; N67-R70 VanDerWaalsContact OD1-NH1 3.16Å; N67-S71 PolarHBondContact O-N 3.43Å; N67-S71 PolarHBondContact O-OG 3Å
68F91.9Very high84.3Confident8 Ų862.1 Ų62.14%0.03531%0.312CS..Hα-helixtrans-59.7-40.9171.4175.7-95.9000111.9W29 P64 I65 R70 K72 L74 I93 P95 L96 K99W29-F68 HydrophobicContact CH2-CE1 4.15Å; W29-F68 HydrophobicContact CH2-CZ 4.29Å; W29-F68 HydrophobicContact CZ3-CD1 4.27Å; W29-F68 AromaticContact CZ3-CE1 3.73Å; W29-F68 HydrophobicContact CZ3-CE1 3.73Å; W29-F68 HydrophobicContact CZ3-CZ 4.29Å; P64-F68 PolarHBondContact O-N 2.85Å; I65-F68 PolarHBondContact O-N 3.49Å; F68-R70 PolarHBondContact O-N 3.45Å; F68-K72 WeakPolarHBondContact CE2-O 3.47Å; F68-K72 WeakPolarHBondContact O-CA 3.38Å; F68-K72 PolarHBondContact O-N 2.88Å; F68-L74 HydrophobicContact CD2-CB 4.45Å; F68-I93 HydrophobicContact CD1-CG2 4.13Å; F68-I93 HydrophobicContact CE1-CG2 4.01Å; F68-P95 HydrophobicContact CE1-CB 4.44Å; F68-P95 HydrophobicContact CZ-CB 4.29Å; F68-L96 HydrophobicContact CB-CD2 4.23Å; F68-L96 HydrophobicContact CD1-CB 3.8Å; F68-L96 HydrophobicContact CD1-CD1 4.27Å; F68-L96 HydrophobicContact CD1-CD2 3.98Å; F68-L96 HydrophobicContact CD1-CG 4.24Å; F68-L96 HydrophobicContact CD2-CD1 3.96Å; F68-L96 HydrophobicContact CE1-CB 3.6Å; F68-L96 HydrophobicContact CE1-CD1 4.49Å; F68-L96 HydrophobicContact CE1-CG 4.44Å; F68-L96 HydrophobicContact CE2-CD1 4.19Å; F68-L96 HydrophobicContact CG-CB 4.4Å; F68-L96 HydrophobicContact CG-CD1 3.99Å; F68-L96 HydrophobicContact CG-CD2 4.11Å; F68-L96 HydrophobicContact CG-CG 4.4Å; F68-L96 HydrophobicContact CZ-CB 4.04Å; F68-L96 HydrophobicContact CZ-CD1 4.44Å; F68-K99 HydrophobicContact CE2-CD 4.19Å
69L92.1Very high83.3Confident5 Ų561.2 Ų61.23%0.02631%0.306CS..Hα-helixtrans-64.3-20.7174.8-67.5176.7000113.7T26 L27 W29 V30 F35 I65 L66 N67 I93T26-L69 HydrophobicContact CG2-CB 3.74Å; L27-L69 HydrophobicContact CD2-CD1 4.34Å; W29-L69 HydrophobicContact CE3-CD2 3.85Å; W29-L69 HydrophobicContact CZ3-CD2 4.28Å; V30-L69 HydrophobicContact CG2-CD2 4.01Å; F35-L69 HydrophobicContact CD2-CD1 4.25Å; F35-L69 HydrophobicContact CE2-CD1 4.2Å; I65-L69 HydrophobicContact CG2-CD1 4.42Å; I65-L69 WeakPolarHBondContact O-CG 3.47Å; I65-L69 PolarHBondContact O-N 3.25Å; L66-L69 PolarHBondContact O-N 2.98Å; N67-L69 VanDerWaalsContact C-N 3.32Å; N67-L69 PolarHBondContact O-N 3.23Å; L69-I93 HydrophobicContact CD2-CD1 4.21Å; L69-I93 HydrophobicContact CD2-CG2 4.08Å
70R92.3Very high82.6Confident120 Ų12063.6 Ų63.645%0.45332%0.318SS..Hα-helixtrans-89.6-51178.3-70163.7173.7166.4-8.6112.9S21 T26 L66 N67 F68S21-R70 PolarHBondContact O-NH2 3.41Å; T26-R70 HydrophobicContact CG2-CG 3.7Å; L66-R70 WeakPolarHBondContact O-CD 3.29Å; L66-R70 VanDerWaalsContact O-CG 3.28Å; L66-R70 WeakPolarHBondContact O-CG 3.28Å; L66-R70 PolarHBondContact O-N 3.26Å; N67-R70 WeakPolarHBondContact O-CB 3.16Å; N67-R70 PolarHBondContact O-N 3.03Å; N67-R70 PolarHBondContact OD1-NH1 3.17Å; N67-R70 VanDerWaalsContact OD1-NH1 3.16Å; F68-R70 PolarHBondContact O-N 3.45Å
71S88.4Confident82.3Confident55 Ų5562.1 Ų62.139%0.38531%0.305SS..Hα-helixtrans-95.8-21.5-17561.80000114.3N67 E73N67-S71 PolarHBondContact O-N 3.43Å; N67-S71 PolarHBondContact O-OG 3Å; S71-E73 PolarHBondContact O-N 2.82Å; S71-E73 PolarHBondContact OG-N 3.17Å; S71-E73 VanDerWaalsContact OG-N 3.1Å; S71-E73 PolarHBondContact OG-O 2.75Å
72K86.1Confident81.9Confident118 Ų11867 Ų6751%0.51333%0.328SS..SBendtrans64.85.8-165.1-46.5178.9-175.9177.20113.8W29 F68W29-K72 VanDerWaalsContact CE2-CE 3.48Å; W29-K72 HydrophobicContact CE3-CG 4.43Å; W29-K72 HydrophobicContact CH2-CB 4.23Å; W29-K72 HydrophobicContact CH2-CD 3.96Å; W29-K72 HydrophobicContact CH2-CG 3.73Å; W29-K72 HydrophobicContact CZ2-CD 3.64Å; W29-K72 HydrophobicContact CZ2-CG 3.93Å; W29-K72 HydrophobicContact CZ3-CG 3.98Å; F68-K72 WeakPolarHBondContact CE2-O 3.47Å; F68-K72 WeakPolarHBondContact O-CA 3.38Å; F68-K72 PolarHBondContact O-N 2.88Å
73E80.1Confident81.5Confident104 Ų10471.9 Ų71.949%0.48635%0.351SS..  trans-100.5153.5176.6-63.7-178.4124.900110.4S71 Y75S71-E73 PolarHBondContact O-N 2.82Å; S71-E73 PolarHBondContact OG-N 3.17Å; S71-E73 VanDerWaalsContact OG-N 3.1Å; S71-E73 PolarHBondContact OG-O 2.75Å; E73-Y75 HydrophobicContact CB-CE2 4.08Å; E73-Y75 PolarHBondContact OE2-OH 2.99Å; E73-Y75 VanDerWaalsContact OE2-OH 3.11Å
74L77.8Confident81.5Confident22 Ų2270.7 Ų70.712%0.11534%0.342CS..  trans-126.1130.7176-178.473.3000107.3F68 P76 L84 L96 K99 L100F68-L74 HydrophobicContact CD2-CB 4.45Å; L74-P76 HydrophobicContact CD2-CB 4.23Å; L74-P76 HydrophobicContact CD2-CG 4.49Å; L74-P76 HydrophobicContact CG-CB 4.39Å; L74-P76 WeakPolarHBondContact O-CD 3.31Å; L74-L84 HydrophobicContact CD1-CD2 3.86Å; L74-L96 HydrophobicContact CD1-CD1 4.06Å; L74-L96 HydrophobicContact CD2-CD1 4.27Å; L74-K99 HydrophobicContact CB-CD 4.2Å; L74-L100 HydrophobicContact CD2-CD2 3.55Å; L74-L100 HydrophobicContact CD2-CG 4.43Å
75Y70.6Confident81.4Confident158 Ų15870.6 Ų70.662%0.6234%0.34SS*.  trans-115.380.3174.6-63.3-77.8000108.5E73 R77E73-Y75 HydrophobicContact CB-CE2 4.08Å; E73-Y75 PolarHBondContact OE2-OH 2.99Å; E73-Y75 VanDerWaalsContact OE2-OH 3.11Å; Y75-R77 PolarHBondContact O-N 3.49Å; Y75-R77 VanDerWaalsContact O-N 3.12Å
76P61.9Low81.3Confident51 Ų5176 Ų7633%0.33136%0.364SS..  trans-73.9-2.1-168.330.8-36.4000114.3L74 S78 I79L74-P76 HydrophobicContact CD2-CB 4.23Å; L74-P76 HydrophobicContact CD2-CG 4.49Å; L74-P76 HydrophobicContact CG-CB 4.39Å; L74-P76 WeakPolarHBondContact O-CD 3.31Å; P76-S78 PolarHBondContact O-N 3.24Å; P76-I79 PolarHBondContact O-N 3.13Å
77R57.4Low81.3Confident247 Ų24776.4 Ų76.493%0.93237%0.366SS*.THydrogen-bonded Turntrans-64.77.4-169.2-56.8-171.4-176.2-152.61.3116Y75Y75-R77 PolarHBondContact O-N 3.49Å; Y75-R77 VanDerWaalsContact O-N 3.12Å
78S57.4Low81.4Confident105 Ų10572.3 Ų72.373%0.73434%0.344SS*.THydrogen-bonded Turntrans-149.512.6179.870.50000114P76P76-S78 PolarHBondContact O-N 3.24Å
79I69.8Low81.5Confident43 Ų4376.4 Ų76.422%0.22136%0.364CS..SBendtrans-137.4134.8-178.5-54100.6000109.4L61 P64 P76 V81 L84L61-I79 HydrophobicContact CD2-CG2 3.73Å; P64-I79 HydrophobicContact CB-CD1 4.42Å; P64-I79 HydrophobicContact CG-CD1 3.85Å; P64-I79 HydrophobicContact CG-CG1 3.75Å; P76-I79 PolarHBondContact O-N 3.13Å; I79-V81 PolarHBondContact O-N 3.47Å; I79-L84 HydrophobicContact CG2-CB 4.11Å; I79-L84 HydrophobicContact CG2-CD2 4.29Å
80N77.5Confident81.5Confident75 Ų7580.3 Ų80.340%0.40138%0.381SS..  trans-60.9123.4172.8178.5-64.3000110.5H82 M83 L84N80-H82 VanDerWaalsContact C-N 3.35Å; N80-H82 PolarHBondContact O-N 3.41Å; N80-H82 WeakPolarHBondContact OD1-CA 3.25Å; N80-H82 WeakPolarHBondContact OD1-CB 3.36Å; N80-H82 PolarHBondContact OD1-N 3.1Å; N80-M83 HydrophobicContact CB-CB 4.3Å; N80-M83 HydrophobicContact CB-CE 3.7Å; N80-M83 HydrophobicContact CB-CG 4.28Å; N80-M83 PolarHBondContact OD1-N 2.96Å; N80-L84 WeakPolarHBondContact O-CB 3.09Å; N80-L84 PolarHBondContact O-N 3.41Å; N80-L84 VanDerWaalsContact O-N 3.11Å
81V83.2Confident81.6Confident43 Ų4374.6 Ų74.626%0.26136%0.359SS..Hα-helixtrans-62.9-39.2-175.1171.50000111.9I79 L84 M85 L100 C103I79-V81 PolarHBondContact O-N 3.47Å; V81-L84 PolarHBondContact O-N 3.31Å; V81-M85 PolarHBondContact O-N 3.1Å; V81-L100 HydrophobicContact CG1-CB 4.27Å; V81-L100 HydrophobicContact CG1-CD2 4.01Å; V81-C103 HydrophobicContact CG1-CB 4.42Å
82H81.5Confident81.7Confident121 Ų12173.2 Ų73.256%0.5635%0.354SS*.Hα-helixtrans-70.3-44.4-178.4-168.4-97.2000112.3N80 L84 M85 H86N80-H82 VanDerWaalsContact C-N 3.35Å; N80-H82 PolarHBondContact O-N 3.41Å; N80-H82 WeakPolarHBondContact OD1-CA 3.25Å; N80-H82 WeakPolarHBondContact OD1-CB 3.36Å; N80-H82 PolarHBondContact OD1-N 3.1Å; H82-L84 VanDerWaalsContact C-N 3.3Å; H82-L84 PolarHBondContact O-N 3.27Å; H82-M85 VanDerWaalsContact O-CB 3.28Å; H82-M85 WeakPolarHBondContact O-CB 3.17Å; H82-M85 PolarHBondContact O-N 3.11Å; H82-H86 PolarHBondContact O-N 2.91Å; H82-H86 VanDerWaalsContact O-N 3.15Å
83M85.9Confident82.1Confident101 Ų10167.6 Ų67.650%0.49833%0.329SS..Hα-helixtrans-61.3-39.9172.9-68.7-157.9-70.400111.9L61 N80 M85 H86 E87L61-M83 HydrophobicContact CD1-CB 3.95Å; L61-M83 HydrophobicContact CD2-CB 4Å; N80-M83 HydrophobicContact CB-CB 4.3Å; N80-M83 HydrophobicContact CB-CE 3.7Å; N80-M83 HydrophobicContact CB-CG 4.28Å; N80-M83 PolarHBondContact OD1-N 2.96Å; M83-M85 VanDerWaalsContact C-N 3.33Å; M83-H86 PolarHBondContact O-N 3.17Å; M83-E87 PolarHBondContact O-N 3.09Å
84L89.4Confident82.6Confident2 Ų267.3 Ų67.31%0.0134%0.335CS..Hα-helixtrans-70.6-29177.3-170.260.4000112.7P64 I65 L74 I79 N80 V81 H82 A88 L100P64-L84 HydrophobicContact CB-CD1 3.76Å; P64-L84 HydrophobicContact CB-CD2 4.09Å; P64-L84 HydrophobicContact CG-CD1 4.49Å; I65-L84 HydrophobicContact CD1-CD1 3.55Å; I65-L84 HydrophobicContact CD1-CG 4.38Å; I65-L84 HydrophobicContact CG1-CD1 4Å; L74-L84 HydrophobicContact CD1-CD2 3.86Å; I79-L84 HydrophobicContact CG2-CB 4.11Å; I79-L84 HydrophobicContact CG2-CD2 4.29Å; N80-L84 WeakPolarHBondContact O-CB 3.09Å; N80-L84 PolarHBondContact O-N 3.41Å; N80-L84 VanDerWaalsContact O-N 3.11Å; V81-L84 PolarHBondContact O-N 3.31Å; H82-L84 VanDerWaalsContact C-N 3.3Å; H82-L84 PolarHBondContact O-N 3.27Å; L84-A88 VanDerWaalsContact O-CB 3.29Å; L84-A88 WeakPolarHBondContact O-CB 3.45Å; L84-A88 PolarHBondContact O-N 2.91Å; L84-L100 HydrophobicContact CB-CD1 4.31Å; L84-L100 HydrophobicContact CD2-CD1 4.44Å; L84-L100 HydrophobicContact CD2-CD2 4.19Å; L84-L100 HydrophobicContact CG-CD1 4.02Å
85M90Very high83.2Confident18 Ų1869 Ų699%0.08935%0.347CS..Hα-helixtrans-60.7-51.2171.2-167.292.976.500110.5V81 H82 M83 E87 A88 E89 V97 L100 Q101V81-M85 PolarHBondContact O-N 3.1Å; H82-M85 VanDerWaalsContact O-CB 3.28Å; H82-M85 WeakPolarHBondContact O-CB 3.17Å; H82-M85 PolarHBondContact O-N 3.11Å; M83-M85 VanDerWaalsContact C-N 3.33Å; M85-E87 VanDerWaalsContact C-N 3.31Å; M85-E87 PolarHBondContact O-N 3.44Å; M85-A88 CarbonylContact O-C 3.5Å; M85-A88 WeakPolarHBondContact O-CA 3.47Å; M85-A88 WeakPolarHBondContact O-CB 2.96Å; M85-A88 PolarHBondContact O-N 3.26Å; M85-E89 HydrophobicContact CG-CG 4.45Å; M85-E89 WeakPolarHBondContact O-CG 3.41Å; M85-E89 PolarHBondContact O-N 2.87Å; M85-V97 HydrophobicContact SD-CG1 4.12Å; M85-L100 HydrophobicContact CB-CD1 4.43Å; M85-L100 HydrophobicContact CE-CB 3.89Å; M85-L100 HydrophobicContact SD-CB 3.49Å; M85-L100 WeakPolarHBondContact SD-CB 3.42Å; M85-L100 HydrophobicContact SD-CD1 4.42Å; M85-Q101 HydrophobicContact CE-CB 4.48Å; M85-Q101 HydrophobicContact CE-CG 3.83Å; M85-Q101 HydrophobicContact SD-CG 3.78Å
86H90Very high84.1Confident112 Ų11261.5 Ų61.552%0.51932%0.318SS..Hα-helixtrans-60.2-38.2-177.1-113.4-40000113H82 M83 F90H82-H86 PolarHBondContact O-N 2.91Å; H82-H86 VanDerWaalsContact O-N 3.15Å; M83-H86 PolarHBondContact O-N 3.17Å; H86-F90 WeakPolarHBondContact O-CB 3.2Å; H86-F90 PolarHBondContact O-N 3.08Å; H86-F90 VanDerWaalsContact O-N 3.08Å
87E93.4Very high85.5Confident10 Ų1059.8 Ų59.85%0.04731%0.306CS..Hα-helixtrans-68.6-44170.2-71.8-62.2132.900112.1R57 L61 I65 M83 M85 E89 F90 Y91R57-E87 IonicContact CZ-OE1 2.62Å; R57-E87 IonicContact NE-OE1 2.66Å; R57-E87 PolarHBondContact NE-OE1 3.23Å; R57-E87 IonicContact NE-OE2 2.88Å; R57-E87 PolarHBondContact NE-OE2 3.23Å; R57-E87 IonicContact NH2-OE1 3.15Å; R57-E87 PolarHBondContact NH2-OE1 3.08Å; L61-E87 HydrophobicContact CB-CG 3.71Å; L61-E87 HydrophobicContact CD1-CG 3.86Å; L61-E87 HydrophobicContact CG-CG 4.43Å; I65-E87 HydrophobicContact CD1-CB 4.09Å; I65-E87 HydrophobicContact CG1-CB 4.25Å; M83-E87 PolarHBondContact O-N 3.09Å; M85-E87 VanDerWaalsContact C-N 3.31Å; M85-E87 PolarHBondContact O-N 3.44Å; E87-E89 VanDerWaalsContact C-N 3.26Å; E87-E89 PolarHBondContact O-N 3.16Å; E87-F90 PolarHBondContact O-N 3.26Å; E87-Y91 HydrophobicContact CB-CD2 4.25Å; E87-Y91 HydrophobicContact CB-CE2 4.03Å; E87-Y91 WeakPolarHBondContact O-CD2 3.16Å; E87-Y91 PolarHBondContact O-N 3.36Å; E87-Y91 WeakPolarHBondContact OE2-CE2 3.33Å; E87-Y91 PolarHBondContact OE2-OH 3.22Å; E87-Y91 VanDerWaalsContact OE2-OH 3.1Å
88A92.9Very high86.9Confident0 Ų056.5 Ų56.50%029%0.294CS..Hα-helixtrans-61.5-34.7179.600000112.5I65 L84 M85 G92 I93 L96 V97 L100I65-A88 HydrophobicContact CD1-CB 3.95Å; L84-A88 VanDerWaalsContact O-CB 3.29Å; L84-A88 WeakPolarHBondContact O-CB 3.45Å; L84-A88 PolarHBondContact O-N 2.91Å; M85-A88 CarbonylContact O-C 3.5Å; M85-A88 WeakPolarHBondContact O-CA 3.47Å; M85-A88 WeakPolarHBondContact O-CB 2.96Å; M85-A88 PolarHBondContact O-N 3.26Å; A88-G92 PolarHBondContact O-N 2.66Å; A88-I93 PolarHBondContact O-N 2.83Å; A88-L96 HydrophobicContact CB-CB 4.19Å; A88-L96 HydrophobicContact CB-CD2 3.87Å; A88-L96 HydrophobicContact CB-CG 3.85Å; A88-V97 VanDerWaalsContact C-CG2 3.44Å; A88-V97 HydrophobicContact CB-CG2 3.68Å; A88-L100 HydrophobicContact CB-CD1 4.16Å
89E93.1Very high88.2Confident94 Ų9455.1 Ų55.144%0.43928%0.275SS..Hα-helixtrans-69.4-48.9172-71-179.8164.500111.8M85 E87 Y91 G92 V97M85-E89 HydrophobicContact CG-CG 4.45Å; M85-E89 WeakPolarHBondContact O-CG 3.41Å; M85-E89 PolarHBondContact O-N 2.87Å; E87-E89 VanDerWaalsContact C-N 3.26Å; E87-E89 PolarHBondContact O-N 3.16Å; E89-Y91 VanDerWaalsContact C-N 3.28Å; E89-Y91 PolarHBondContact O-N 3.16Å; E89-G92 PolarHBondContact O-N 2.88Å; E89-V97 HydrophobicContact CB-CG2 4.38Å; E89-V97 HydrophobicContact CG-CB 4.43Å; E89-V97 HydrophobicContact CG-CG1 3.84Å; E89-V97 HydrophobicContact CG-CG2 3.66Å
90F93.3Very high89.1Confident87 Ų8753.1 Ų53.138%0.38226%0.264SS..Hα-helixtrans-55.1-42.5176173.2-94.5000112.4F34 R57 H86 E87 G92F34-F90 HydrophobicContact CE2-CZ 4.48Å; R57-F90 HydrophobicContact CG-CD1 3.89Å; R57-F90 HydrophobicContact CG-CE1 3.44Å; R57-F90 VanDerWaalsContact CG-CE1 3.44Å; R57-F90 HydrophobicContact CG-CZ 3.93Å; H86-F90 WeakPolarHBondContact O-CB 3.2Å; H86-F90 PolarHBondContact O-N 3.08Å; H86-F90 VanDerWaalsContact O-N 3.08Å; E87-F90 PolarHBondContact O-N 3.26Å; F90-G92 VanDerWaalsContact C-N 3.28Å; F90-G92 PolarHBondContact O-N 3.31Å
91Y93.8Very high89.3Confident0 Ų053 Ų530%026%0.262CS..THydrogen-bonded Turntrans-79.6-4.1177-65.2-56.9000114.2F34 F35 I55 R57 F62 I65 E87 E89 I93F34-Y91 HydrophobicContact CB-CD1 4.49Å; F34-Y91 VanDerWaalsContact CB-O 3.28Å; F34-Y91 WeakPolarHBondContact CB-O 3.32Å; F34-Y91 AromaticContact CD1-CD1 3.86Å; F34-Y91 HydrophobicContact CD1-CD1 3.86Å; F34-Y91 HydrophobicContact CD1-CE1 4.41Å; F34-Y91 HydrophobicContact CE1-CD1 4.43Å; F34-Y91 HydrophobicContact CG-CD1 4.33Å; F34-Y91 PolarHBondContact N-O 3.15Å; F35-Y91 AromaticContact CE1-CD1 3.97Å; F35-Y91 HydrophobicContact CE1-CD1 3.97Å; F35-Y91 HydrophobicContact CE1-CE1 4.14Å; F35-Y91 AromaticContact CE2-CD1 3.65Å; F35-Y91 HydrophobicContact CE2-CD1 3.65Å; F35-Y91 HydrophobicContact CE2-CE1 4.43Å; F35-Y91 AromaticContact CE2-CG 3.74Å; F35-Y91 HydrophobicContact CE2-CG 3.74Å; F35-Y91 AromaticContact CZ-CD1 3.21Å; F35-Y91 HydrophobicContact CZ-CD1 3.21Å; F35-Y91 HydrophobicContact CZ-CD2 4.4Å; F35-Y91 AromaticContact CZ-CE1 3.57Å; F35-Y91 HydrophobicContact CZ-CE1 3.57Å; F35-Y91 AromaticContact CZ-CG 3.7Å; F35-Y91 HydrophobicContact CZ-CG 3.7Å; I55-Y91 HydrophobicContact CG2-CE1 4.15Å; R57-Y91 WeakPolarHBondContact CB-OH 3.48Å; R57-Y91 WeakPolarHBondContact CG-OH 3.48Å; F62-Y91 AromaticContact CD2-CE2 3.91Å; F62-Y91 HydrophobicContact CD2-CE2 3.91Å; F62-Y91 AromaticContact CD2-CZ 3.89Å; I65-Y91 HydrophobicContact CD1-CD2 4.46Å; I65-Y91 HydrophobicContact CG1-CD2 4.06Å; I65-Y91 HydrophobicContact CG1-CE2 4.17Å; I65-Y91 HydrophobicContact CG2-CD2 4Å; E87-Y91 HydrophobicContact CB-CD2 4.25Å; E87-Y91 HydrophobicContact CB-CE2 4.03Å; E87-Y91 WeakPolarHBondContact O-CD2 3.16Å; E87-Y91 PolarHBondContact O-N 3.36Å; E87-Y91 WeakPolarHBondContact OE2-CE2 3.33Å; E87-Y91 PolarHBondContact OE2-OH 3.22Å; E87-Y91 VanDerWaalsContact OE2-OH 3.1Å; E89-Y91 VanDerWaalsContact C-N 3.28Å; E89-Y91 PolarHBondContact O-N 3.16Å; Y91-I93 VanDerWaalsContact C-N 3.34Å; Y91-I93 WeakPolarHBondContact O-CD1 3.41Å; Y91-I93 PolarHBondContact O-N 2.62Å
92G91.3Very high89.1Confident26 Ų2655.4 Ų55.427%0.26827%0.272SS..THydrogen-bonded Turntrans64.633.8-178.200000113.8A88 E89 F90 T94A88-G92 PolarHBondContact O-N 2.66Å; E89-G92 PolarHBondContact O-N 2.88Å; F90-G92 VanDerWaalsContact C-N 3.28Å; F90-G92 PolarHBondContact O-N 3.31Å; G92-T94 VanDerWaalsContact C-N 3.3Å; G92-T94 PolarHBondContact O-N 2.97Å; G92-T94 VanDerWaalsContact O-N 3.16Å
93I94.3Very high88.8Confident0 Ų051.4 Ų51.40%026%0.257CS..  trans-90.565.9-178.1-47.8-52.4000109.2V30 F35 I65 F68 L69 A88 Y91 P95 L96 V97V30-I93 HydrophobicContact CG2-CG2 4.22Å; F35-I93 HydrophobicContact CD2-CD1 4.13Å; F35-I93 HydrophobicContact CE2-CD1 4.24Å; I65-I93 HydrophobicContact CG2-CG1 4.27Å; F68-I93 HydrophobicContact CD1-CG2 4.13Å; F68-I93 HydrophobicContact CE1-CG2 4.01Å; L69-I93 HydrophobicContact CD2-CD1 4.21Å; L69-I93 HydrophobicContact CD2-CG2 4.08Å; A88-I93 PolarHBondContact O-N 2.83Å; Y91-I93 VanDerWaalsContact C-N 3.34Å; Y91-I93 WeakPolarHBondContact O-CD1 3.41Å; Y91-I93 PolarHBondContact O-N 2.62Å; I93-P95 VanDerWaalsContact C-N 3.29Å; I93-P95 VanDerWaalsContact O-N 3.1Å; I93-L96 HydrophobicContact CB-CB 4.17Å; I93-L96 HydrophobicContact CG2-CB 3.61Å; I93-L96 HydrophobicContact CG2-CD2 4.49Å; I93-L96 WeakPolarHBondContact O-CA 3.47Å; I93-L96 WeakPolarHBondContact O-CB 3.44Å; I93-L96 PolarHBondContact O-N 3.35Å; I93-V97 PolarHBondContact O-N 2.82Å
94T90.9Very high88.2Confident98 Ų9849 Ų4960%0.60125%0.246SC*.Hα-helixtrans-48.2-38.4-175.9-37.80000114.9G92 L96 R98G92-T94 VanDerWaalsContact C-N 3.3Å; G92-T94 PolarHBondContact O-N 2.97Å; G92-T94 VanDerWaalsContact O-N 3.16Å; T94-L96 VanDerWaalsContact C-N 3.28Å; T94-L96 PolarHBondContact O-N 2.83Å; T94-R98 WeakPolarHBondContact O-CB 3.05Å; T94-R98 PolarHBondContact O-N 3.17Å
95P90.1Very high87.3Confident59 Ų5954.4 Ų54.438%0.38327%0.272SS..Hα-helixtrans-65.9-26.5175.2-2235000114.4V30 F68 I93 K99V30-P95 HydrophobicContact CG1-CG 4.37Å; V30-P95 HydrophobicContact CG2-CG 4.16Å; F68-P95 HydrophobicContact CE1-CB 4.44Å; F68-P95 HydrophobicContact CZ-CB 4.29Å; I93-P95 VanDerWaalsContact C-N 3.29Å; I93-P95 VanDerWaalsContact O-N 3.1Å; P95-K99 WeakPolarHBondContact O-CB 3.48Å; P95-K99 PolarHBondContact O-N 2.82Å
96L90.2Very high86.1Confident0 Ų059.6 Ų59.60%030%0.299CS..Hα-helixtrans-83.1-46.6174.9-178.452.9000111I65 F68 L74 A88 I93 T94 R98 K99 L100I65-L96 HydrophobicContact CD1-CD2 3.53Å; F68-L96 HydrophobicContact CB-CD2 4.23Å; F68-L96 HydrophobicContact CD1-CB 3.8Å; F68-L96 HydrophobicContact CD1-CD1 4.27Å; F68-L96 HydrophobicContact CD1-CD2 3.98Å; F68-L96 HydrophobicContact CD1-CG 4.24Å; F68-L96 HydrophobicContact CD2-CD1 3.96Å; F68-L96 HydrophobicContact CE1-CB 3.6Å; F68-L96 HydrophobicContact CE1-CD1 4.49Å; F68-L96 HydrophobicContact CE1-CG 4.44Å; F68-L96 HydrophobicContact CE2-CD1 4.19Å; F68-L96 HydrophobicContact CG-CB 4.4Å; F68-L96 HydrophobicContact CG-CD1 3.99Å; F68-L96 HydrophobicContact CG-CD2 4.11Å; F68-L96 HydrophobicContact CG-CG 4.4Å; F68-L96 HydrophobicContact CZ-CB 4.04Å; F68-L96 HydrophobicContact CZ-CD1 4.44Å; L74-L96 HydrophobicContact CD1-CD1 4.06Å; L74-L96 HydrophobicContact CD2-CD1 4.27Å; A88-L96 HydrophobicContact CB-CB 4.19Å; A88-L96 HydrophobicContact CB-CD2 3.87Å; A88-L96 HydrophobicContact CB-CG 3.85Å; I93-L96 HydrophobicContact CB-CB 4.17Å; I93-L96 HydrophobicContact CG2-CB 3.61Å; I93-L96 HydrophobicContact CG2-CD2 4.49Å; I93-L96 WeakPolarHBondContact O-CA 3.47Å; I93-L96 WeakPolarHBondContact O-CB 3.44Å; I93-L96 PolarHBondContact O-N 3.35Å; T94-L96 VanDerWaalsContact C-N 3.28Å; T94-L96 PolarHBondContact O-N 2.83Å; L96-R98 VanDerWaalsContact C-N 3.3Å; L96-R98 PolarHBondContact O-N 3.03Å; L96-K99 WeakPolarHBondContact O-CA 3.41Å; L96-K99 WeakPolarHBondContact O-CB 3.36Å; L96-K99 PolarHBondContact O-N 3.48Å; L96-L100 HydrophobicContact CD1-CD1 3.92Å; L96-L100 HydrophobicContact CD1-CD2 4.46Å; L96-L100 HydrophobicContact CD1-CG 3.94Å; L96-L100 HydrophobicContact CG-CD1 3.8Å; L96-L100 HydrophobicContact CG-CG 4.31Å; L96-L100 WeakPolarHBondContact O-CG 3.48Å; L96-L100 PolarHBondContact O-N 2.79Å
97V89.8Confident84.6Confident15 Ų1560.8 Ų60.89%0.09131%0.309CS..Hα-helixtrans-50.8-52.3173.9177.50000109.8M85 A88 E89 I93 K99 L100 Q101M85-V97 HydrophobicContact SD-CG1 4.12Å; A88-V97 VanDerWaalsContact C-CG2 3.44Å; A88-V97 HydrophobicContact CB-CG2 3.68Å; E89-V97 HydrophobicContact CB-CG2 4.38Å; E89-V97 HydrophobicContact CG-CB 4.43Å; E89-V97 HydrophobicContact CG-CG1 3.84Å; E89-V97 HydrophobicContact CG-CG2 3.66Å; I93-V97 PolarHBondContact O-N 2.82Å; V97-K99 VanDerWaalsContact C-N 3.27Å; V97-K99 PolarHBondContact O-N 2.82Å; V97-L100 PolarHBondContact O-N 3.17Å; V97-L100 VanDerWaalsContact O-N 3.17Å; V97-Q101 HydrophobicContact CG1-CG 4.37Å; V97-Q101 WeakPolarHBondContact O-CB 3.23Å; V97-Q101 VanDerWaalsContact O-CG 3.32Å; V97-Q101 WeakPolarHBondContact O-CG 3.47Å; V97-Q101 PolarHBondContact O-N 3.31Å
98R86.6Confident83.1Confident178 Ų17868.5 Ų68.567%0.67234%0.338SS*.Hα-helixtrans-63-30178.2-166.4174.2-172.1172.25.1113.9T94 L96 L102T94-R98 WeakPolarHBondContact O-CB 3.05Å; T94-R98 PolarHBondContact O-N 3.17Å; L96-R98 VanDerWaalsContact C-N 3.3Å; L96-R98 PolarHBondContact O-N 3.03Å; R98-L102 WeakPolarHBondContact O-CD1 3.32Å; R98-L102 VanDerWaalsContact O-CG 3.29Å; R98-L102 WeakPolarHBondContact O-CG 3.49Å; R98-L102 PolarHBondContact O-N 2.92Å; R98-L102 VanDerWaalsContact O-N 3.12Å
99K86.3Confident81.3Confident76 Ų7671.8 Ų71.833%0.3336%0.361SS..Hα-helixtrans-74.9-36.5176.8-174.4175.9-177178.10111.9F68 L74 P95 L96 V97 C103F68-K99 HydrophobicContact CE2-CD 4.19Å; L74-K99 HydrophobicContact CB-CD 4.2Å; P95-K99 WeakPolarHBondContact O-CB 3.48Å; P95-K99 PolarHBondContact O-N 2.82Å; L96-K99 WeakPolarHBondContact O-CA 3.41Å; L96-K99 WeakPolarHBondContact O-CB 3.36Å; L96-K99 PolarHBondContact O-N 3.48Å; V97-K99 VanDerWaalsContact C-N 3.27Å; V97-K99 PolarHBondContact O-N 2.82Å; K99-C103 PolarHBondContact O-N 3.46Å; K99-C103 PolarHBondContact O-SG 3.05Å; K99-C103 VanDerWaalsContact O-SG 3.41Å
100L86.9Confident79.6Confident0 Ų072.8 Ų72.80%038%0.379CS..Hα-helixtrans-73.9-37.6175.4-65.5167.1000110.9L74 V81 L84 M85 A88 L96 V97 L102 C103 D104L74-L100 HydrophobicContact CD2-CD2 3.55Å; L74-L100 HydrophobicContact CD2-CG 4.43Å; V81-L100 HydrophobicContact CG1-CB 4.27Å; V81-L100 HydrophobicContact CG1-CD2 4.01Å; L84-L100 HydrophobicContact CB-CD1 4.31Å; L84-L100 HydrophobicContact CD2-CD1 4.44Å; L84-L100 HydrophobicContact CD2-CD2 4.19Å; L84-L100 HydrophobicContact CG-CD1 4.02Å; M85-L100 HydrophobicContact CB-CD1 4.43Å; M85-L100 HydrophobicContact CE-CB 3.89Å; M85-L100 HydrophobicContact SD-CB 3.49Å; M85-L100 WeakPolarHBondContact SD-CB 3.42Å; M85-L100 HydrophobicContact SD-CD1 4.42Å; A88-L100 HydrophobicContact CB-CD1 4.16Å; L96-L100 HydrophobicContact CD1-CD1 3.92Å; L96-L100 HydrophobicContact CD1-CD2 4.46Å; L96-L100 HydrophobicContact CD1-CG 3.94Å; L96-L100 HydrophobicContact CG-CD1 3.8Å; L96-L100 HydrophobicContact CG-CG 4.31Å; L96-L100 WeakPolarHBondContact O-CG 3.48Å; L96-L100 PolarHBondContact O-N 2.79Å; V97-L100 PolarHBondContact O-N 3.17Å; V97-L100 VanDerWaalsContact O-N 3.17Å; L100-L102 PolarHBondContact O-N 3.09Å; L100-C103 WeakPolarHBondContact O-CA 3.45Å; L100-C103 WeakPolarHBondContact O-CB 3.42Å; L100-C103 PolarHBondContact O-N 3.34Å; L100-D104 PolarHBondContact O-N 3.14Å
101Q83.5Confident78Confident74 Ų7472.9 Ų72.935%0.34639%0.389SS..Hα-helixtrans-57.9-45.9170.2-75.1169.5-2000111.1M85 V97 C103 D104 E105M85-Q101 HydrophobicContact CE-CB 4.48Å; M85-Q101 HydrophobicContact CE-CG 3.83Å; M85-Q101 HydrophobicContact SD-CG 3.78Å; V97-Q101 HydrophobicContact CG1-CG 4.37Å; V97-Q101 WeakPolarHBondContact O-CB 3.23Å; V97-Q101 VanDerWaalsContact O-CG 3.32Å; V97-Q101 WeakPolarHBondContact O-CG 3.47Å; V97-Q101 PolarHBondContact O-N 3.31Å; Q101-C103 PolarHBondContact O-N 3.1Å; Q101-D104 PolarHBondContact O-N 2.87Å; Q101-D104 VanDerWaalsContact O-N 3.14Å; Q101-E105 WeakPolarHBondContact O-CB 3.41Å; Q101-E105 WeakPolarHBondContact O-CG 3.36Å; Q101-E105 PolarHBondContact O-N 2.83Å
102L79.1Confident76.6Confident93 Ų9374 Ų7449%0.48740%0.401SS..Hα-helixtrans-64.9-17.3173.7-73.8166.6000114.1R98 L100 L106R98-L102 WeakPolarHBondContact O-CD1 3.32Å; R98-L102 VanDerWaalsContact O-CG 3.29Å; R98-L102 WeakPolarHBondContact O-CG 3.49Å; R98-L102 PolarHBondContact O-N 2.92Å; R98-L102 VanDerWaalsContact O-N 3.12Å; L100-L102 PolarHBondContact O-N 3.09Å; L102-L106 VanDerWaalsContact O-CD1 3.31Å; L102-L106 WeakPolarHBondContact O-CD1 3.37Å; L102-L106 VanDerWaalsContact O-CG 3.25Å; L102-L106 WeakPolarHBondContact O-CG 2.96Å; L102-L106 PolarHBondContact O-N 3Å
103C75.4Confident75.9Confident36 Ų3676.4 Ų76.424%0.24341%0.407CS..Hα-helixtrans-82.1-44.1169.3-680000111.3V81 K99 L100 Q101 E105 L106 D107V81-C103 HydrophobicContact CG1-CB 4.42Å; K99-C103 PolarHBondContact O-N 3.46Å; K99-C103 PolarHBondContact O-SG 3.05Å; K99-C103 VanDerWaalsContact O-SG 3.41Å; L100-C103 WeakPolarHBondContact O-CA 3.45Å; L100-C103 WeakPolarHBondContact O-CB 3.42Å; L100-C103 PolarHBondContact O-N 3.34Å; Q101-C103 PolarHBondContact O-N 3.1Å; C103-E105 VanDerWaalsContact C-N 3.33Å; C103-E105 PolarHBondContact O-N 2.89Å; C103-L106 WeakPolarHBondContact O-CB 3.28Å; C103-L106 PolarHBondContact O-N 3.47Å; C103-L106 VanDerWaalsContact O-N 3.13Å; C103-D107 PolarHBondContact O-N 3.23Å
104D72.9Confident75.1Confident50 Ų5083.1 Ų83.127%0.26745%0.448SS..Hα-helixtrans-60.8-40.6174-171.470.9000111.7L100 Q101 L106 D107 R108L100-D104 PolarHBondContact O-N 3.14Å; Q101-D104 PolarHBondContact O-N 2.87Å; Q101-D104 VanDerWaalsContact O-N 3.14Å; D104-L106 VanDerWaalsContact C-N 3.31Å; D104-L106 PolarHBondContact O-N 3.33Å; D104-D107 PolarHBondContact O-N 3.26Å; D104-R108 VanDerWaalsContact O-CB 3.23Å; D104-R108 WeakPolarHBondContact O-CB 3.48Å; D104-R108 WeakPolarHBondContact O-CG 3.46Å; D104-R108 PolarHBondContact O-N 3.02Å; D104-R108 IonicContact OD1-CZ 3.14Å; D104-R108 IonicContact OD1-NH1 3.91Å; D104-R108 PolarHBondContact OD1-NH1 2.72Å; D104-R108 WeakPolarHBondContact OD2-CD 3.45Å; D104-R108 IonicContact OD2-CZ 3.43Å; D104-R108 IonicContact OD2-NE 3.67Å; D104-R108 IonicContact OD2-NH1 2.89Å; D104-R108 PolarHBondContact OD2-NH1 3.39Å
105E68.9Low74.9Confident117 Ų11779.4 Ų79.455%0.54742%0.424SS..Hα-helixtrans-66.1-25.4173.7-72.9173.3-157.700113.7Q101 C103 R108Q101-E105 WeakPolarHBondContact O-CB 3.41Å; Q101-E105 WeakPolarHBondContact O-CG 3.36Å; Q101-E105 PolarHBondContact O-N 2.83Å; C103-E105 VanDerWaalsContact C-N 3.33Å; C103-E105 PolarHBondContact O-N 2.89Å; E105-R108 CarbonylContact O-C 3.58Å
106L64.7Low74.9Confident126 Ų12679.4 Ų79.466%0.6642%0.418SS*.Hα-helixtrans-73.6-44.1174.7-84.3165.1000110.8L102 C103 D104 S109L102-L106 VanDerWaalsContact O-CD1 3.31Å; L102-L106 WeakPolarHBondContact O-CD1 3.37Å; L102-L106 VanDerWaalsContact O-CG 3.25Å; L102-L106 WeakPolarHBondContact O-CG 2.96Å; L102-L106 PolarHBondContact O-N 3Å; C103-L106 WeakPolarHBondContact O-CB 3.28Å; C103-L106 PolarHBondContact O-N 3.47Å; C103-L106 VanDerWaalsContact O-N 3.13Å; D104-L106 VanDerWaalsContact C-N 3.31Å; D104-L106 PolarHBondContact O-N 3.33Å; L106-S109 PolarHBondContact O-OG 2.96Å
107D59.5Low74.9Confident137 Ų13782.6 Ų82.673%0.73344%0.435SS*.Hα-helixtrans-72.3-32.3175.9-65.6-35.1000111.3C103 D104 S109C103-D107 PolarHBondContact O-N 3.23Å; D104-D107 PolarHBondContact O-N 3.26Å; D107-S109 VanDerWaalsContact C-N 3.33Å; D107-S109 PolarHBondContact O-N 3.15Å
108R61Low74.9Confident173 Ų17382.7 Ų82.765%0.65344%0.439SS*.SBendtrans-90.456.3171.9-68.3175.8156.4156-6.8112.7D104 E105 S110D104-R108 VanDerWaalsContact O-CB 3.23Å; D104-R108 WeakPolarHBondContact O-CB 3.48Å; D104-R108 WeakPolarHBondContact O-CG 3.46Å; D104-R108 PolarHBondContact O-N 3.02Å; D104-R108 IonicContact OD1-CZ 3.14Å; D104-R108 IonicContact OD1-NH1 3.91Å; D104-R108 PolarHBondContact OD1-NH1 2.72Å; D104-R108 WeakPolarHBondContact OD2-CD 3.45Å; D104-R108 IonicContact OD2-CZ 3.43Å; D104-R108 IonicContact OD2-NE 3.67Å; D104-R108 IonicContact OD2-NH1 2.89Å; D104-R108 PolarHBondContact OD2-NH1 3.39Å; E105-R108 CarbonylContact O-C 3.58Å; R108-S110 PolarHBondContact O-N 3Å
109S56.9Low75.2Confident69 Ų6978.8 Ų78.848%0.48343%0.425SS..  trans-59.3120.5174.8-73.70000112L106 D107 C111L106-S109 PolarHBondContact O-OG 2.96Å; D107-S109 VanDerWaalsContact C-N 3.33Å; D107-S109 PolarHBondContact O-N 3.15Å; S109-C111 PolarHBondContact O-N 3.4Å; S109-C111 VanDerWaalsContact O-N 3.14Å
110S56.4Low75.6Confident115 Ų11576 Ų7680%0.80441%0.414SS*.SBendtrans-75.79.9175.955.70000114.4R108R108-S110 PolarHBondContact O-N 3Å
111C59.1Low75.8Confident89 Ų8979.8 Ų79.860%0.60144%0.439SS*.SBendtrans-130.4146.6169.257.20000108.9S109S109-C111 PolarHBondContact O-N 3.4Å; S109-C111 VanDerWaalsContact O-N 3.14Å
112G65.6Low76.2Confident24 Ų2479.3 Ų79.325%0.24744%0.442CS..  trans-66.2155.8-176.600000113.3V530G112-V530 VanDerWaalsContact CA-CG2 3.45Å
113N75.3Confident76.7Confident75 Ų7575.8 Ų75.840%0.40142%0.424SS..  trans-66.2179.5176.370.935.3000112L115 F116N113-L115 PolarHBondContact O-N 3.19Å; N113-L115 WeakPolarHBondContact OD1-CA 3.44Å; N113-L115 VanDerWaalsContact OD1-CB 3.25Å; N113-L115 WeakPolarHBondContact OD1-CB 3.36Å; N113-L115 PolarHBondContact OD1-N 3.41Å; N113-F116 VanDerWaalsContact O-CB 3.25Å; N113-F116 WeakPolarHBondContact O-CB 3.4Å; N113-F116 PolarHBondContact O-N 2.89Å
114V77.7Confident77.2Confident141 Ų14180.3 Ų80.386%0.85545%0.451SS*.THydrogen-bonded Turntrans-58.5-16.6-176.6-176.50000114
115L87.8Confident77.8Confident21 Ų2183.1 Ų83.111%0.1146%0.458CS..THydrogen-bonded Turntrans-88.4-11.5175.8-50.2173.8000112.9N113 N117 C525 W569 D570 T573 A574N113-L115 PolarHBondContact O-N 3.19Å; N113-L115 WeakPolarHBondContact OD1-CA 3.44Å; N113-L115 VanDerWaalsContact OD1-CB 3.25Å; N113-L115 WeakPolarHBondContact OD1-CB 3.36Å; N113-L115 PolarHBondContact OD1-N 3.41Å; L115-N117 PolarHBondContact O-N 3.41Å; L115-C525 HydrophobicContact CD1-CB 3.83Å; L115-W569 CarbonylContact O-C 3.44Å; L115-W569 WeakPolarHBondContact O-CA 3.21Å; L115-D570 PolarHBondContact O-N 3.33Å; L115-T573 HydrophobicContact CD2-CG2 4.21Å; L115-A574 HydrophobicContact CD1-CB 3.67Å; L115-A574 HydrophobicContact CD2-CB 3.81Å; L115-A574 HydrophobicContact CG-CB 4.37Å
116F90.3Very high78.6Confident59 Ų5978.4 Ų78.426%0.25944%0.438SS..EExtended strand (participates in β ladder)trans-71.8118.7-178.3-175.2-102.8000111.3N113 G118 Y119 V530 Q567 W569N113-F116 VanDerWaalsContact O-CB 3.25Å; N113-F116 WeakPolarHBondContact O-CB 3.4Å; N113-F116 PolarHBondContact O-N 2.89Å; F116-G118 WeakPolarHBondContact CE2-O 3.48Å; F116-G118 VanDerWaalsContact CZ-O 3.32Å; F116-G118 WeakPolarHBondContact CZ-O 3.41Å; F116-Y119 HydrophobicContact CZ-CD2 4.39Å; F116-V530 HydrophobicContact CD2-CG2 3.57Å; F116-V530 HydrophobicContact CE2-CB 4.37Å; F116-V530 HydrophobicContact CE2-CG2 3.45Å; F116-V530 VanDerWaalsContact CE2-CG2 3.45Å; F116-V530 HydrophobicContact CG-CG2 4.19Å; F116-V530 HydrophobicContact CZ-CG2 4.01Å; F116-Q567 HydrophobicContact CE2-CB 4.05Å; F116-Q567 HydrophobicContact CE2-CG 4.27Å; F116-W569 HydrophobicContact CB-CE3 4.08Å; F116-W569 HydrophobicContact CB-CH2 4.46Å; F116-W569 HydrophobicContact CB-CZ3 3.81Å; F116-W569 HydrophobicContact CD2-CD2 4.3Å; F116-W569 HydrophobicContact CD2-CE3 4.09Å; F116-W569 AromaticContact CD2-CH2 3.67Å; F116-W569 HydrophobicContact CD2-CH2 3.67Å; F116-W569 AromaticContact CD2-CZ2 3.88Å; F116-W569 HydrophobicContact CD2-CZ2 3.88Å; F116-W569 AromaticContact CD2-CZ3 3.79Å; F116-W569 HydrophobicContact CD2-CZ3 3.79Å; F116-W569 HydrophobicContact CE2-CH2 4.43Å; F116-W569 HydrophobicContact CE2-CZ2 4.32Å; F116-W569 HydrophobicContact CG-CH2 4.49Å; F116-W569 HydrophobicContact CG-CZ3 4.28Å
117N89.8Confident79.5Confident66 Ų6676.1 Ų76.135%0.35344%0.438SS..EExtended strand (participates in β ladder)trans-113-11.3-171.7-177.780.1000113.4L115 Y556 M568 D570L115-N117 PolarHBondContact O-N 3.41Å; N117-Y556 HydrophobicContact CB-CE1 4.07Å; N117-Y556 WeakPolarHBondContact ND2-CE1 3.28Å; N117-M568 PolarHBondContact N-O 2.9Å; N117-M568 WeakPolarHBondContact ND2-CE 3.32Å; N117-D570 HydrophobicContact CB-CB 4.4Å
118G89.7Confident80.6Confident17 Ų1775.9 Ų75.918%0.17543%0.43CS..EExtended strand (participates in β ladder)trans172.3164.4176.700000116.3F116 M568F116-G118 WeakPolarHBondContact CE2-O 3.48Å; F116-G118 VanDerWaalsContact CZ-O 3.32Å; F116-G118 WeakPolarHBondContact CZ-O 3.41Å; G118-M568 PolarHBondContact N-O 2.98Å; G118-M568 PolarHBondContact O-N 3.48Å
119Y92.1Very high81.4Confident96 Ų9669.3 Ų69.338%0.37641%0.405SS..EExtended strand (participates in β ladder)trans-130.1131177.2-167-92.7000109F116 P121 D531 S565 Q567F116-Y119 HydrophobicContact CZ-CD2 4.39Å; Y119-P121 HydrophobicContact CE1-CB 4.22Å; Y119-D531 PolarHBondContact OH-OD2 3.41Å; Y119-S565 WeakPolarHBondContact OH-CB 3.23Å; Y119-Q567 HydrophobicContact CD2-CG 3.83Å; Y119-Q567 HydrophobicContact CE2-CG 4.01Å
120L94.2Very high82Confident17 Ų1776.2 Ų76.29%0.08942%0.421CS..EExtended strand (participates in β ladder)trans-111.1118168-61175.9000107.7I199 Y210 W218 S565 I566 M568L120-I199 HydrophobicContact CD1-CD1 4.28Å; L120-Y210 HydrophobicContact CD1-CD1 3.88Å; L120-Y210 HydrophobicContact CD1-CD2 4.33Å; L120-Y210 HydrophobicContact CD1-CE1 4.03Å; L120-Y210 HydrophobicContact CD1-CE2 4.46Å; L120-Y210 HydrophobicContact CD1-CG 4.05Å; L120-Y210 HydrophobicContact CD2-CD1 4.31Å; L120-Y210 HydrophobicContact CD2-CE1 4.34Å; L120-W218 HydrophobicContact CD2-CB 4.03Å; L120-S565 WeakPolarHBondContact O-CA 3.43Å; L120-S565 WeakPolarHBondContact O-CB 3.43Å; L120-I566 HydrophobicContact CB-CB 4.15Å; L120-I566 HydrophobicContact CB-CD1 3.87Å; L120-I566 HydrophobicContact CD1-CB 4.31Å; L120-I566 HydrophobicContact CD1-CD1 4.08Å; L120-I566 PolarHBondContact N-O 2.82Å; L120-I566 PolarHBondContact O-N 2.8Å; L120-M568 HydrophobicContact CG-SD 4.47Å
121P92.1Very high81.9Confident81 Ų8174.5 Ų74.553%0.52640%0.402SS..PPolyproline II helixtrans-70.1160.3-178.130.7-36000111.7Y119Y119-P121 HydrophobicContact CE1-CB 4.22Å
122P91.3Very high81.5Confident64 Ų6480.6 Ų80.642%0.41641%0.413SS..PPolyproline II helixtrans-55.9133.6176.8-23.433.7000111.9N563P122-N563 WeakPolarHBondContact CB-O 3.44Å; P122-N563 WeakPolarHBondContact CG-O 3.5Å
123P89.5Confident80.6Confident18 Ų1886.4 Ų86.412%0.11743%0.433CS..PPolyproline II helixtrans-75.2154.8-176.730.8-36.4000112.3Y125 Y203 F206 V208P123-Y125 PolarHBondContact O-N 3.17Å; P123-Y203 VanDerWaalsContact CD-OH 3.24Å; P123-Y203 WeakPolarHBondContact CD-OH 3.34Å; P123-Y203 HydrophobicContact CG-CD2 4.37Å; P123-Y203 HydrophobicContact CG-CE1 4.07Å; P123-Y203 HydrophobicContact CG-CE2 3.67Å; P123-Y203 VanDerWaalsContact CG-CZ 3.5Å; P123-F206 HydrophobicContact CG-CE2 3.85Å; P123-F206 HydrophobicContact CG-CZ 4.14Å; P123-V208 HydrophobicContact CB-CG2 4.07Å; P123-V208 HydrophobicContact CG-CG2 4.03Å
124V86.1Confident78.7Confident132 Ų13286.1 Ų86.180%0.844%0.437SS*.PPolyproline II helixtrans-69.4126.8173.3-178.10000109.9P126V124-P126 WeakPolarHBondContact O-CD 3.44Å
125Y85.1Confident76.8Confident108 Ų10886.3 Ų86.342%0.42444%0.438SS..PPolyproline II helixtrans-54.3120.9-179.3-79.2-77.4000113.2P123 P186 G187 F206P123-Y125 PolarHBondContact O-N 3.17Å; Y125-P186 HydrophobicContact CE1-CB 4.05Å; Y125-P186 HydrophobicContact CE1-CG 4.18Å; Y125-G187 WeakPolarHBondContact OH-CA 3.33Å; Y125-G187 PolarHBondContact OH-N 2.89Å; Y125-F206 AromaticContact CD1-CE1 3.9Å; Y125-F206 HydrophobicContact CD1-CE1 3.9Å; Y125-F206 HydrophobicContact CD1-CZ 4.32Å; Y125-F206 HydrophobicContact CE1-CE1 4.09Å
126P86.4Confident74.2Confident18 Ų1889.2 Ų89.212%0.11747%0.465CS..PPolyproline II helixtrans-74159.3-177.826.5-31.6000113.4V124 F206 T223 S224 R226V124-P126 WeakPolarHBondContact O-CD 3.44Å; P126-F206 HydrophobicContact CG-CB 3.74Å; P126-F206 HydrophobicContact CG-CD1 4.1Å; P126-F206 HydrophobicContact CG-CD2 3.72Å; P126-F206 HydrophobicContact CG-CE2 4.34Å; P126-F206 HydrophobicContact CG-CG 3.58Å; P126-T223 HydrophobicContact CB-CG2 3.86Å; P126-T223 HydrophobicContact CG-CG2 3.85Å; P126-S224 WeakPolarHBondContact CB-O 3.46Å; P126-S224 VanDerWaalsContact CG-O 3.29Å; P126-S224 WeakPolarHBondContact CG-O 3.39Å; P126-R226 HydrophobicContact CG-CB 4.19Å; P126-R226 PolarHBondContact O-NE 3.4Å; P126-R226 VanDerWaalsContact O-NE 3.11Å; P126-R226 PolarHBondContact O-NH2 3.3Å
127A82.9Confident71.3Confident79 Ų7989.4 Ų89.465%0.65348%0.484SS*.PPolyproline II helixtrans-61.6149.4171.700000111.4R226A127-R226 PolarHBondContact O-N 3.44Å
128K82.8Confident68.5Low131 Ų13191.3 Ų91.357%0.5750%0.502SS*.BIsolated β-bridgetrans-66.9138.2178.8-173.8168.1-177.6169.20111.3R130 D228K128-R130 PolarHBondContact O-N 2.98Å; K128-D228 WeakPolarHBondContact CE-OD1 3.45Å; K128-D228 IonicContact NZ-OD1 2.86Å; K128-D228 PolarHBondContact NZ-OD1 3.09Å
129R79.4Confident65.9Low35 Ų3599.5 Ų99.513%0.13254%0.536CS..PPolyproline II helixtrans-58.7116.4177-171170.4171.9-117.6-5109.9N131 P225 R226 E259 E273R129-N131 PolarHBondContact O-N 2.86Å; R129-P225 HydrophobicContact CB-CB 3.79Å; R129-P225 HydrophobicContact CG-CB 4.18Å; R129-R226 WeakPolarHBondContact CB-O 3.23Å; R129-R226 PolarHBondContact N-O 3.43Å; R129-E259 IonicContact NH1-OE2 2.66Å; R129-E273 IonicContact CZ-OE1 3.29Å; R129-E273 IonicContact CZ-OE2 3.82Å; R129-E273 IonicContact NE-OE1 3.31Å; R129-E273 IonicContact NE-OE2 3.19Å; R129-E273 PolarHBondContact NE-OE2 2.82Å; R129-E273 IonicContact NH2-OE1 3.02Å; R129-E273 PolarHBondContact NH2-OE1 3.2Å; R129-E273 IonicContact NH2-OE2 3.13Å; R129-E273 PolarHBondContact NH2-OE2 2.74Å; R129-E273 VanDerWaalsContact NH2-OE2 3.14Å
130R69.5Low63Low215 Ų215104.2 Ų104.281%0.81156%0.559SS**  trans-8088.4177.7-162.2-176.191.9-170.99.6110K128 R132K128-R130 PolarHBondContact O-N 2.98Å; R130-R132 PolarHBondContact O-N 2.83Å; R130-R132 VanDerWaalsContact O-N 3.17Å
131N53.6Low60.1Low78 Ų78111.9 Ų111.942%0.41760%0.596SS.*  trans-48118.5-179.6-173.2-20000111.4R129 H133 S134R129-N131 PolarHBondContact O-N 2.86Å; N131-H133 WeakPolarHBondContact OD1-CA 3.36Å; N131-H133 PolarHBondContact OD1-N 2.92Å; N131-S134 PolarHBondContact OD1-N 3.05Å; N131-S134 VanDerWaalsContact OD1-N 3.15Å
132R50.8Low57.2Low218 Ų218114.8 Ų114.882%0.82361%0.612SS**SBendtrans-88.6-7.5179.1-78.6-175.3173.7178.4-1114R130R130-R132 PolarHBondContact O-N 2.83Å; R130-R132 VanDerWaalsContact O-N 3.17Å
133H45.6Very low54.3Low146 Ų146114.9 Ų114.968%0.67663%0.625SS**SBendtrans-110.5-4.6-174.6-61.4-72000113.6N131 V135N131-H133 WeakPolarHBondContact OD1-CA 3.36Å; N131-H133 PolarHBondContact OD1-N 2.92Å; H133-V135 PolarHBondContact O-N 2.95Å
134S36.9Very low51.6Low68 Ų68126.5 Ų126.548%0.47667%0.667SS.*  trans-71.1114168.3-173.10000110.5N131 A136N131-S134 PolarHBondContact OD1-N 3.05Å; N131-S134 VanDerWaalsContact OD1-N 3.15Å; S134-A136 PolarHBondContact O-N 2.7Å
135V37.3Very low49Very low145 Ų145125.3 Ų125.388%0.87967%0.671SS**  trans-76.9-5.9177.6-159.20000111.8H133 G137H133-V135 PolarHBondContact O-N 2.95Å; V135-G137 VanDerWaalsContact C-N 3.32Å; V135-G137 PolarHBondContact O-N 2.75Å
136A32.9Very low46.4Very low82 Ų82123.3 Ų123.368%0.67868%0.683SS**SBendtrans-74.882.3169.900000110.4S134 S138S134-A136 PolarHBondContact O-N 2.7Å; A136-S138 PolarHBondContact O-N 3.29Å
137G29.1Very low44.1Very low64 Ų64129.1 Ų129.166%0.6672%0.721SS**  trans-63.8120.8-175.300000113.7V135 Q139V135-G137 VanDerWaalsContact C-N 3.32Å; V135-G137 PolarHBondContact O-N 2.75Å; G137-Q139 PolarHBondContact O-N 2.58Å; G137-Q139 VanDerWaalsContact O-N 3.08Å
138S31.5Very low41.8Very low105 Ų105130.1 Ų130.173%0.73473%0.729SS**  trans-66.8102.5169.3-178.20000110.5A136 F140A136-S138 PolarHBondContact O-N 3.29Å; S138-F140 PolarHBondContact O-N 3.23Å
139Q34.5Very low39.2Very low190 Ų190133.2 Ų133.289%0.88875%0.746SS**  trans-88.498.1170.4-69.1-171-1.600109.9G137G137-Q139 PolarHBondContact O-N 2.58Å; G137-Q139 VanDerWaalsContact O-N 3.08Å
140F31.5Very low36.8Very low194 Ų194143.2 Ų143.285%0.85178%0.783SS**  trans-102.2142.4161.7-93.4-90.6000110.8S138S138-F140 PolarHBondContact O-N 3.23Å
141M33.1Very low34.9Very low178 Ų178137.6 Ų137.688%0.87778%0.783SS**  trans-81.1146.3-171.8-84.2-169.217300113.9
142V31.4Very low34.1Very low142 Ų142139.9 Ų139.986%0.86180%0.802SS**  trans62.1132.1150176.30000117.7
143G31.1Very low33Very low67 Ų67136.4 Ų136.469%0.69181%0.805SS**  cis146127-900000114
144R31.3Very low32.2Very low261 Ų261141 Ų14199%0.98582%0.816SS**  trans-158.7153.7154.9-127.5176.5-178.4-179.90.1110.2
145A31.9Very low32Very low108 Ų108147.9 Ų147.989%0.89383%0.832SS**  trans-107.9152-169.500000113.6
146G31.7Very low31.6Very low66 Ų66147 Ų14768%0.6883%0.832SS**  trans-157144166.500000108.8
147P37.6Very low31.4Very low140 Ų140149 Ų14991%0.90983%0.831SS**  trans-75.7164.8-172.431.1-35.3000113.2
148A33.9Very low31.6Very low99 Ų99152.8 Ų152.882%0.81884%0.842SS**  trans-100.3157.9-167.400000114.4
149E27.8Very low31.4Very low197 Ų197155.9 Ų155.992%0.92185%0.847SS**  trans-129.1157.2154-165163.2-142.100109.4
150R30.1Very low31.3Very low244 Ų244152 Ų15292%0.92184%0.838SS**  trans-130130.8-169.4-79.5177.3167.9167.6-4.3112.8
151A29.8Very low31.7Very low98 Ų98148.9 Ų148.981%0.8184%0.837SS**  trans-146.3154.415000000109.9
152P36.8Very low31.5Very low126 Ų126148 Ų14882%0.81884%0.836SS**  trans-104.8145-153.337.1-33.2000116.1
153V28Very low31.5Very low144 Ų144149.7 Ų149.787%0.87384%0.839SS**PPolyproline II helixtrans-82.1132.5162.41780000109.8
154R28.5Very low31.4Very low244 Ų244150.3 Ų150.392%0.92185%0.846SS**PPolyproline II helixtrans-83.2132.3-178.2-156.4173.8-169.7166.51.9110.6
155R31.5Very low31.3Very low212 Ų212146.3 Ų146.380%0.884%0.844SS**PPolyproline II helixtrans-79.2149.4177.2-64.7-177.1-178.1177.9-0.4112.1
156S29.3Very low31.1Very low127 Ų127146 Ų14689%0.88884%0.841SS**  trans-128.8133.4148.3-64.90000107.3
157N29.3Very low31Very low122 Ų122146.4 Ų146.465%0.65285%0.846SS**  trans-126.2143.7178.7-4.6-97.5000110.8
158T32.7Very low30.7Very low144 Ų144147.5 Ų147.588%0.88384%0.843SS**  trans-155.6121.6148.712.50000109.7
159M28.5Very low30.5Very low171 Ų171150.3 Ų150.384%0.84284%0.843SS**  trans-145.5130.1169-87.6-65.5-65.200108
160P31.8Very low30.3Very low109 Ų109144.3 Ų144.371%0.70884%0.835SS**PPolyproline II helixtrans-76.2167.1166.530.9-30.1000111.5
161P38.8Very low30.3Very low127 Ų127144.6 Ų144.683%0.82584%0.836SS**PPolyproline II helixtrans-93.5166.9-148.835.5-37.8000117
162N29Very low30.2Very low160 Ų160146.2 Ų146.286%0.85684%0.842SS**PPolyproline II helixtrans-64.2154.3176.8-57.6-66.6000114.2
163L33.3Very low29.6Very low177 Ų177143.9 Ų143.993%0.92784%0.84SS**  trans-134.6141156.9-84.9173.1000111.4
164G27.4Very low29.8Very low81 Ų81142.2 Ų142.284%0.83584%0.841SS**  trans66.388.6151.900000118.7
165N28.8Very low29.7Very low177 Ų177138.4 Ų138.495%0.94783%0.834SS**  trans-97.8109.3169.2-160.833.3000111.3
166A29.6Very low29.7Very low100 Ų100135.5 Ų135.583%0.82683%0.834SS**  trans-160.4147.5169.700000109.3
167G28.1Very low29.4Very low76 Ų76139.6 Ų139.678%0.78483%0.83SS**  cis-159.7155-5.100000109.9
168L32.1Very low29.3Very low162 Ų162140 Ų14085%0.84884%0.838SS**  trans-71.9141.7-161-147.777.6000115.5
169L28.9Very low28.9Very low158 Ų158138.7 Ų138.783%0.82783%0.834SS**  trans122.8122.1139.3-69.3166.4000120.2
170G23.8Very low29Very low72 Ų72135.6 Ų135.674%0.74284%0.836SS**  trans82.3112.1133.600000117.7
171R29.6Very low28.8Very low249 Ų249133.9 Ų133.994%0.9484%0.838SS**  cis-159.6153.447.5-81.8177.9165.1-157.7-5.4112.1
172S28.2Very low28.6Very low133 Ų133131.3 Ų131.393%0.9384%0.835SS**  trans-72.1129.3165.2-51.30000110.7
173G24.6Very low29Very low77 Ų77132.7 Ų132.779%0.79484%0.841SS**  trans-160.3101.9172.700000108.9
174A32.6Very low30Very low108 Ų108126.1 Ų126.189%0.89381%0.81SS**  trans-93.3109.9178.300000109.2
175E25Very low31.9Very low164 Ų164126.4 Ų126.477%0.76679%0.792SS**  trans-128.1128.1157.6-73.5-159145.300108.4R177E175-R177 PolarHBondContact O-N 3.27Å
176D32.6Very low33.9Very low151 Ų151120.4 Ų120.481%0.80776%0.763SS**  trans-80.3114.8-178.7-158.6-10.4000109.2
177R23Very low36.4Very low214 Ų214116.1 Ų116.181%0.80873%0.729SS**  trans-132.380.7178.3-78.9-166.3175.2-155.3-1.4110.5E175 S179E175-R177 PolarHBondContact O-N 3.27Å; R177-S179 PolarHBondContact O-N 2.99Å; R177-S179 VanDerWaalsContact O-N 3.07Å
178T26.4Very low39.4Very low131 Ų131114.5 Ų114.580%0.80470%0.701SS**  trans-60.9101.7168.240.40000111.1A180T178-A180 PolarHBondContact O-N 3.23Å
179S24.4Very low42.3Very low115 Ų115106.8 Ų106.880%0.80466%0.661SS**  trans-83.198.2-18057.70000112R177R177-S179 PolarHBondContact O-N 2.99Å; R177-S179 VanDerWaalsContact O-N 3.07Å
180A30.8Very low45.4Very low107 Ų107102 Ų10288%0.88463%0.632SS**  trans41.888.2153.400000117.9T178T178-A180 PolarHBondContact O-N 3.23Å
181G27.1Very low48.8Very low73 Ų7399.2 Ų99.275%0.75360%0.6SS**  trans-144.7148.115400000107.8
182G35.3Very low52Low73 Ų7387.6 Ų87.675%0.75356%0.556SS**  trans-57.2145.7-173.900000113.3S184G182-S184 PolarHBondContact O-N 3.03Å
183L37.7Very low55.2Low188 Ų18882.3 Ų82.398%0.98452%0.519SS*.  trans-69.670.9176.3-83159.2000111.1D185L183-D185 PolarHBondContact O-N 3.1Å
184S55Low58.4Low40 Ų4079.5 Ų79.528%0.2849%0.49SS..  trans-68.9122.9173.961.70000110.2G182G182-S184 PolarHBondContact O-N 3.03Å
185D67.1Low61.3Low86 Ų8676.6 Ų76.646%0.4646%0.458SS..  trans-56.1124170.7-172.5-34.6000109.1L183 G187 M188L183-D185 PolarHBondContact O-N 3.1Å; D185-G187 PolarHBondContact O-N 2.94Å; D185-G187 WeakPolarHBondContact OD1-CA 3.44Å; D185-G187 PolarHBondContact OD1-N 3.23Å; D185-M188 HydrophobicContact CB-CB 4.39Å; D185-M188 WeakPolarHBondContact O-CG 3.45Å; D185-M188 PolarHBondContact O-N 2.69Å; D185-M188 VanDerWaalsContact O-N 3.17Å
186P70.5Confident64.4Low52 Ų5271.4 Ų71.434%0.33843%0.433SS..THydrogen-bonded Turntrans-63.2-12.7-179.727-35.2000114.1Y125Y125-P186 HydrophobicContact CE1-CB 4.05Å; Y125-P186 HydrophobicContact CE1-CG 4.18Å
187G81.3Confident67.2Low10 Ų1066.1 Ų66.110%0.10341%0.405CS..THydrogen-bonded Turntrans-98.8-6.5177.500000115.6Y125 D185 Y203 G564Y125-G187 WeakPolarHBondContact OH-CA 3.33Å; Y125-G187 PolarHBondContact OH-N 2.89Å; D185-G187 PolarHBondContact O-N 2.94Å; D185-G187 WeakPolarHBondContact OD1-CA 3.44Å; D185-G187 PolarHBondContact OD1-N 3.23Å; G187-Y203 VanDerWaalsContact O-CD1 3.23Å; G187-Y203 WeakPolarHBondContact O-CD1 3.25Å; G187-Y203 WeakPolarHBondContact O-CE1 3.43Å; G187-G564 WeakPolarHBondContact O-CA 3.3Å; G187-G564 PolarHBondContact O-N 2.98Å
188M90.5Very high70.5Confident42 Ų4256.8 Ų56.821%0.20737%0.37CS..SBendtrans-68142.8176.877.8-172.7-63.100111.3D185 R190 Y203 T536D185-M188 HydrophobicContact CB-CB 4.39Å; D185-M188 WeakPolarHBondContact O-CG 3.45Å; D185-M188 PolarHBondContact O-N 2.69Å; D185-M188 VanDerWaalsContact O-N 3.17Å; M188-R190 HydrophobicContact CG-CG 3.99Å; M188-R190 PolarHBondContact O-N 2.95Å; M188-R190 HydrophobicContact SD-CG 4.38Å; M188-Y203 WeakPolarHBondContact O-CA 3.46Å; M188-Y203 WeakPolarHBondContact O-CD1 3.37Å; M188-T536 HydrophobicContact CE-CG2 3.73Å
189V94.7Very high73.8Confident0 Ų050.6 Ų50.60%033%0.332CS..  trans-73.1126.6168.8-177.20000109.3I192 V201 Y203 T536 A537 H561 S565 I566V189-I192 HydrophobicContact CG1-CD1 4.37Å; V189-I192 HydrophobicContact CG1-CG1 3.98Å; V189-V201 HydrophobicContact CB-CG1 4.46Å; V189-V201 HydrophobicContact CG1-CG1 3.54Å; V189-V201 HydrophobicContact CG2-CG1 4.15Å; V189-Y203 HydrophobicContact CG2-CD1 4.45Å; V189-Y203 HydrophobicContact CG2-CE1 3.71Å; V189-T536 WeakPolarHBondContact O-CB 3.35Å; V189-T536 PolarHBondContact O-OG1 2.62Å; V189-A537 HydrophobicContact CG1-CB 4.14Å; V189-H561 PolarHBondContact N-O 3.14Å; V189-S565 WeakPolarHBondContact CG2-O 3.44Å; V189-I566 HydrophobicContact CG2-CG1 4.39Å
190R93.1Very high77.3Confident58 Ų5845.1 Ų45.122%0.21929%0.293CS..  trans-105.3-46.7176.9-66.8178.367.390.5-2.5112.7M188 A202 A537M188-R190 HydrophobicContact CG-CG 3.99Å; M188-R190 PolarHBondContact O-N 2.95Å; M188-R190 HydrophobicContact SD-CG 4.38Å; R190-A202 PolarHBondContact N-O 3.47Å; R190-A537 VanDerWaalsContact O-CB 3.24Å; R190-A537 WeakPolarHBondContact O-CB 3.47Å
191I95.5Very high80.4Confident13 Ų1340 Ų407%0.06725%0.251CS..EExtended strand (participates in β ladder)trans-133.8134.5-173.2-52.9168.9000109.5V201 A202 I231 D232 V234 A486I191-V201 CarbonylContact O-C 3.56Å; I191-V201 WeakPolarHBondContact O-CA 3.25Å; I191-A202 HydrophobicContact CB-CB 4.26Å; I191-A202 PolarHBondContact N-O 3.43Å; I191-A202 VanDerWaalsContact N-O 3.13Å; I191-A202 PolarHBondContact O-N 2.98Å; I191-I231 HydrophobicContact CD1-CG2 4.34Å; I191-D232 WeakPolarHBondContact CD1-O 3.35Å; I191-V234 HydrophobicContact CB-CG2 4.09Å; I191-V234 HydrophobicContact CD1-CG2 4.04Å; I191-V234 HydrophobicContact CG2-CB 4.23Å; I191-V234 HydrophobicContact CG2-CG2 3.99Å; I191-A486 HydrophobicContact CD1-CB 3.78Å; I191-A486 HydrophobicContact CG1-CB 3.95Å; I191-A486 WeakPolarHBondContact CG1-O 3.25Å
192I96.1Very high83.7Confident4 Ų436.5 Ų36.52%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-115134.4166.5-56.6179.2000107.8V189 A200 V201 M539 F558 I566V189-I192 HydrophobicContact CG1-CD1 4.37Å; V189-I192 HydrophobicContact CG1-CG1 3.98Å; I192-A200 CarbonylContact C-O 3.56Å; I192-V201 HydrophobicContact CG1-CG1 4.43Å; I192-V201 HydrophobicContact CG1-CG2 4.47Å; I192-M539 HydrophobicContact CB-CB 4.02Å; I192-M539 HydrophobicContact CG2-CB 3.98Å; I192-M539 HydrophobicContact CG2-SD 4.41Å; I192-M539 WeakPolarHBondContact O-CE 3.33Å; I192-F558 HydrophobicContact CD1-CB 3.91Å; I192-F558 HydrophobicContact CG2-CB 4.24Å; I192-I566 HydrophobicContact CD1-CG2 4.14Å
193C94.9Very high86.5Confident22 Ų2233 Ų3315%0.14918%0.18CC..EExtended strand (participates in β ladder)trans-134.6113.1180179.70000109.8I199 A200 V234C193-I199 CarbonylContact O-C 3.6Å; C193-I199 WeakPolarHBondContact O-CA 3.44Å; C193-A200 HydrophobicContact CB-CB 4.46Å; C193-A200 PolarHBondContact N-O 2.82Å; C193-A200 PolarHBondContact O-N 2.85Å; C193-V234 HydrophobicContact CB-CB 4.3Å; C193-V234 HydrophobicContact CB-CG1 4.06Å
194G93.5Very high89.1Confident18 Ų1824.2 Ų24.219%0.18613%0.133CC..EExtended strand (participates in β ladder)trans-98.7143.6-179.600000112.8M539G194-M539 PolarHBondContact N-SD 3Å
195H92.5Very high90.9Very high48 Ų4824.8 Ų24.822%0.22213%0.132CC..  trans-154.8110.3172.8-176.4-78.9000110.7W198 L236 A238 H541H195-W198 PolarHBondContact N-O 3.24Å; H195-W198 PolarHBondContact O-N 3.41Å; H195-L236 HydrophobicContact CB-CB 4.31Å; H195-L236 HydrophobicContact CB-CD2 3.99Å; H195-L236 HydrophobicContact CB-CG 4Å; H195-L236 PolarHBondContact CD2-O 2.89Å; H195-A238 PolarHBondContact CE1-N 2.75Å; H195-A238 VanDerWaalsContact CE1-N 3.33Å; H195-A238 WeakPolarHBondContact ND1-CB 3.23Å; H195-A238 PolarHBondContact ND1-N 2.79Å; H195-A238 WeakPolarHBondContact O-CB 3.34Å; H195-H541 PolarHBondContact N-NE2 3.24Å
196H89.8Confident92.2Very high55 Ų5520.9 Ų20.926%0.25511%0.111SC..SBendtrans52.4-139.6-171.7-62.160.9000110.2W198 K239 H541 E544H196-W198 PolarHBondContact O-N 2.84Å; H196-K239 WeakPolarHBondContact CD2-CD 3.32Å; H196-K239 PolarHBondContact CD2-NZ 2.93Å; H196-K239 WeakPolarHBondContact NE2-CD 3.39Å; H196-K239 PolarHBondContact NE2-NZ 2.98Å; H196-H541 PolarHBondContact O-NE2 3.26Å; H196-E544 VanDerWaalsContact CD2-CD 3.42Å; H196-E544 IonicContact CD2-OE1 2.68Å; H196-E544 PolarHBondContact CD2-OE1 3.25Å; H196-E544 VanDerWaalsContact CD2-OE1 3.26Å; H196-E544 IonicContact CD2-OE2 3.01Å; H196-E544 PolarHBondContact CD2-OE2 3.16Å; H196-E544 IonicContact NE2-OE1 3.98Å
197N90.9Very high93.4Very high40 Ų4018.4 Ų18.421%0.21410%0.095CC..SBendtrans-8136.5-177.8-70.9-9.3000114.3M212 C543 E544N197-M212 HydrophobicContact CB-CB 4.28Å; N197-M212 PolarHBondContact O-N 2.86Å; N197-C543 WeakPolarHBondContact OD1-CA 3.23Å; N197-C543 WeakPolarHBondContact OD1-CB 3.32Å; N197-E544 PolarHBondContact ND2-O 3.21Å; N197-E544 VanDerWaalsContact ND2-O 3.12Å; N197-E544 PolarHBondContact OD1-N 2.91Å; N197-E544 PolarHBondContact OD1-O 2.85Å
198W93.3Very high94.1Very high18 Ų1817.9 Ų17.97%0.0689%0.09CC..EExtended strand (participates in β ladder)trans-139.8152.4178.8-68.269.5000111.8H195 H196 C209 Y210 R211 V221 L236 A238 K250 I265H195-W198 PolarHBondContact N-O 3.24Å; H195-W198 PolarHBondContact O-N 3.41Å; H196-W198 PolarHBondContact O-N 2.84Å; W198-C209 HydrophobicContact CE3-CB 4.43Å; W198-C209 HydrophobicContact CZ3-CB 4.43Å; W198-Y210 VanDerWaalsContact CA-O 3.28Å; W198-Y210 WeakPolarHBondContact CA-O 3.19Å; W198-R211 HydrophobicContact CD2-CB 3.75Å; W198-R211 HydrophobicContact CD2-CG 4.1Å; W198-R211 HydrophobicContact CE3-CB 3.94Å; W198-R211 HydrophobicContact CG-CB 4.24Å; W198-R211 HydrophobicContact CG-CG 4.4Å; W198-R211 HydrophobicContact CH2-CB 4.43Å; W198-R211 HydrophobicContact CZ2-CB 4.23Å; W198-R211 HydrophobicContact CZ2-CG 4.18Å; W198-R211 HydrophobicContact CZ3-CB 4.28Å; W198-V221 HydrophobicContact CH2-CB 4.13Å; W198-V221 HydrophobicContact CH2-CG1 3.77Å; W198-V221 HydrophobicContact CH2-CG2 4.32Å; W198-V221 HydrophobicContact CZ3-CB 3.86Å; W198-V221 HydrophobicContact CZ3-CG1 3.98Å; W198-V221 HydrophobicContact CZ3-CG2 4.17Å; W198-L236 HydrophobicContact CB-CD2 3.88Å; W198-A238 HydrophobicContact CB-CB 4.1Å; W198-A238 HydrophobicContact CD2-CB 4.47Å; W198-A238 HydrophobicContact CG-CB 3.82Å; W198-K250 HydrophobicContact CH2-CB 4.42Å; W198-K250 HydrophobicContact CH2-CD 4.39Å; W198-K250 HydrophobicContact CH2-CG 4.15Å; W198-K250 HydrophobicContact CZ2-CD 3.66Å; W198-K250 HydrophobicContact CZ2-CG 3.81Å; W198-I265 HydrophobicContact CH2-CG2 4.07Å; W198-I265 HydrophobicContact CZ3-CD1 3.99Å; W198-I265 HydrophobicContact CZ3-CG2 4.21Å
199I96Very high94.3Very high0 Ų015.9 Ų15.90%08%0.08CC..EExtended strand (participates in β ladder)trans-130.4148.7165.762.3175.5000110.2L120 C193 V201 C209 Y210 W218 F558L120-I199 HydrophobicContact CD1-CD1 4.28Å; C193-I199 CarbonylContact O-C 3.6Å; C193-I199 WeakPolarHBondContact O-CA 3.44Å; I199-V201 HydrophobicContact CD1-CG2 4.05Å; I199-V201 HydrophobicContact CG1-CG2 4.35Å; I199-C209 CarbonylContact O-C 3.52Å; I199-C209 WeakPolarHBondContact O-CA 3.05Å; I199-Y210 HydrophobicContact CD1-CD2 4.35Å; I199-Y210 HydrophobicContact CG1-CD2 4.2Å; I199-Y210 HydrophobicContact CG1-CG 4.45Å; I199-Y210 PolarHBondContact N-O 3.36Å; I199-Y210 PolarHBondContact O-N 2.83Å; I199-W218 HydrophobicContact CB-CZ3 4.38Å; I199-W218 HydrophobicContact CD1-CZ3 4.4Å; I199-W218 HydrophobicContact CG1-CE3 4.26Å; I199-W218 HydrophobicContact CG1-CZ3 3.88Å; I199-W218 HydrophobicContact CG2-CH2 3.98Å; I199-W218 HydrophobicContact CG2-CZ3 4.04Å; I199-F558 HydrophobicContact CD1-CD1 3.9Å; I199-F558 HydrophobicContact CD1-CE1 3.81Å; I199-F558 HydrophobicContact CG2-CE1 4.15Å; I199-F558 HydrophobicContact CG2-CE2 4.06Å; I199-F558 HydrophobicContact CG2-CZ 3.86Å
200A96.7Very high94.3Very high0 Ų016.2 Ų16.20%08%0.081CC..EExtended strand (participates in β ladder)trans-116130.7166.800000108.4I192 C193 V207 V208 V234 L236 V252I192-A200 CarbonylContact C-O 3.56Å; C193-A200 HydrophobicContact CB-CB 4.46Å; C193-A200 PolarHBondContact N-O 2.82Å; C193-A200 PolarHBondContact O-N 2.85Å; A200-V207 HydrophobicContact CB-CG2 4.06Å; A200-V208 CarbonylContact C-O 3.57Å; A200-V208 WeakPolarHBondContact CA-O 3.33Å; A200-V234 HydrophobicContact CB-CG1 3.92Å; A200-L236 HydrophobicContact CB-CB 4.21Å; A200-L236 HydrophobicContact CB-CD1 4.35Å; A200-L236 HydrophobicContact CB-CD2 4.07Å; A200-L236 HydrophobicContact CB-CG 4.45Å; A200-V252 HydrophobicContact CB-CG2 4.28Å
201V97.3Very high94.2Very high0 Ų018.3 Ų18.30%09%0.089CC..EExtended strand (participates in β ladder)trans-121.6113.5-175.6-176.20000107.6V189 I191 I192 I199 Y203 V207 V208 Y210 I566V189-V201 HydrophobicContact CB-CG1 4.46Å; V189-V201 HydrophobicContact CG1-CG1 3.54Å; V189-V201 HydrophobicContact CG2-CG1 4.15Å; I191-V201 CarbonylContact O-C 3.56Å; I191-V201 WeakPolarHBondContact O-CA 3.25Å; I192-V201 HydrophobicContact CG1-CG1 4.43Å; I192-V201 HydrophobicContact CG1-CG2 4.47Å; I199-V201 HydrophobicContact CD1-CG2 4.05Å; I199-V201 HydrophobicContact CG1-CG2 4.35Å; V201-Y203 HydrophobicContact CB-CE2 4.32Å; V201-Y203 HydrophobicContact CG1-CE2 3.85Å; V201-V207 CarbonylContact O-C 3.52Å; V201-V207 WeakPolarHBondContact O-CA 3.47Å; V201-V208 PolarHBondContact N-O 3.42Å; V201-V208 PolarHBondContact O-N 3.03Å; V201-Y210 HydrophobicContact CB-CE2 4.4Å; V201-Y210 HydrophobicContact CG2-CD2 4.16Å; V201-Y210 HydrophobicContact CG2-CE2 4.1Å; V201-I566 HydrophobicContact CG1-CD1 4.16Å; V201-I566 HydrophobicContact CG1-CG1 4.09Å; V201-I566 HydrophobicContact CG2-CD1 4.07Å; V201-I566 HydrophobicContact CG2-CG1 4.15Å
202A96.1Very high93.9Very high0 Ų020.3 Ų20.30%010%0.099CC..EExtended strand (participates in β ladder)trans-97.2132.5174.300000111.5R190 I191 F206 V207 I231 V234R190-A202 PolarHBondContact N-O 3.47Å; I191-A202 HydrophobicContact CB-CB 4.26Å; I191-A202 PolarHBondContact N-O 3.43Å; I191-A202 VanDerWaalsContact N-O 3.13Å; I191-A202 PolarHBondContact O-N 2.98Å; A202-F206 WeakPolarHBondContact CA-O 3.28Å; A202-V207 HydrophobicContact CB-CB 4.33Å; A202-V207 HydrophobicContact CB-CG2 4.37Å; A202-I231 HydrophobicContact CB-CB 4.29Å; A202-I231 HydrophobicContact CB-CD1 4.12Å; A202-I231 HydrophobicContact CB-CG2 3.82Å; A202-V234 HydrophobicContact CB-CG2 3.44Å; A202-V234 VanDerWaalsContact CB-CG2 3.44Å
203Y95Very high93.3Very high0 Ų023.2 Ų23.20%011%0.111CC..  trans-92.2-169.7168.7-61.3-89.5000108.2P123 G187 M188 V189 V201 Q205 F206 V208 G564P123-Y203 VanDerWaalsContact CD-OH 3.24Å; P123-Y203 WeakPolarHBondContact CD-OH 3.34Å; P123-Y203 HydrophobicContact CG-CD2 4.37Å; P123-Y203 HydrophobicContact CG-CE1 4.07Å; P123-Y203 HydrophobicContact CG-CE2 3.67Å; P123-Y203 VanDerWaalsContact CG-CZ 3.5Å; G187-Y203 VanDerWaalsContact O-CD1 3.23Å; G187-Y203 WeakPolarHBondContact O-CD1 3.25Å; G187-Y203 WeakPolarHBondContact O-CE1 3.43Å; M188-Y203 WeakPolarHBondContact O-CA 3.46Å; M188-Y203 WeakPolarHBondContact O-CD1 3.37Å; V189-Y203 HydrophobicContact CG2-CD1 4.45Å; V189-Y203 HydrophobicContact CG2-CE1 3.71Å; V201-Y203 HydrophobicContact CB-CE2 4.32Å; V201-Y203 HydrophobicContact CG1-CE2 3.85Å; Y203-Q205 PolarHBondContact O-N 2.82Å; Y203-F206 HydrophobicContact CD1-CZ 4.16Å; Y203-F206 AromaticContact CD2-CD2 3.89Å; Y203-F206 HydrophobicContact CD2-CD2 3.89Å; Y203-F206 HydrophobicContact CD2-CE1 4.38Å; Y203-F206 AromaticContact CD2-CE2 3.4Å; Y203-F206 HydrophobicContact CD2-CE2 3.4Å; Y203-F206 VanDerWaalsContact CD2-CE2 3.4Å; Y203-F206 AromaticContact CD2-CZ 3.68Å; Y203-F206 HydrophobicContact CD2-CZ 3.68Å; Y203-F206 HydrophobicContact CE2-CE2 4.01Å; Y203-F206 HydrophobicContact CE2-CZ 4.43Å; Y203-F206 HydrophobicContact CG-CD2 4.42Å; Y203-F206 AromaticContact CG-CE1 3.98Å; Y203-F206 HydrophobicContact CG-CE1 3.98Å; Y203-F206 AromaticContact CG-CE2 3.81Å; Y203-F206 HydrophobicContact CG-CE2 3.81Å; Y203-F206 AromaticContact CG-CZ 3.55Å; Y203-F206 HydrophobicContact CG-CZ 3.55Å; Y203-F206 PolarHBondContact N-O 3.25Å; Y203-V208 HydrophobicContact CD2-CG2 4.19Å; Y203-V208 HydrophobicContact CE2-CB 4.27Å; Y203-V208 HydrophobicContact CE2-CG2 3.79Å; Y203-G564 WeakPolarHBondContact CE1-O 3.09Å; Y203-G564 PolarHBondContact OH-O 3.14Å
204A91.4Very high92.4Very high2 Ų227 Ų272%0.01713%0.126CC..SBendtrans-56.8-48.1178.400000112.7V230 I231A204-V230 CarbonylContact O-C 3.58Å; A204-V230 WeakPolarHBondContact O-CA 3.46Å; A204-I231 PolarHBondContact O-N 3.26Å
205Q92.5Very high91.6Very high53 Ų5331.3 Ų31.325%0.24815%0.154CC..SBendtrans-124.76.8-169.2-63.5-179.6-40.400114.9Y203 R226 L227 D228Y203-Q205 PolarHBondContact O-N 2.82Å; Q205-R226 HydrophobicContact CB-CG 3.94Å; Q205-R226 WeakPolarHBondContact O-CA 3.45Å; Q205-R226 VanDerWaalsContact OE1-CD 3.31Å; Q205-L227 PolarHBondContact O-N 3.09Å; Q205-D228 PolarHBondContact NE2-O 3.37Å
206F94.6Very high91.1Very high3 Ų332.5 Ų32.51%0.01317%0.165CC..  trans-154.9157.5-179.564.8-80.8000112P123 Y125 P126 A202 Y203 V208 T223 S224 I231P123-F206 HydrophobicContact CG-CE2 3.85Å; P123-F206 HydrophobicContact CG-CZ 4.14Å; Y125-F206 AromaticContact CD1-CE1 3.9Å; Y125-F206 HydrophobicContact CD1-CE1 3.9Å; Y125-F206 HydrophobicContact CD1-CZ 4.32Å; Y125-F206 HydrophobicContact CE1-CE1 4.09Å; P126-F206 HydrophobicContact CG-CB 3.74Å; P126-F206 HydrophobicContact CG-CD1 4.1Å; P126-F206 HydrophobicContact CG-CD2 3.72Å; P126-F206 HydrophobicContact CG-CE2 4.34Å; P126-F206 HydrophobicContact CG-CG 3.58Å; A202-F206 WeakPolarHBondContact CA-O 3.28Å; Y203-F206 HydrophobicContact CD1-CZ 4.16Å; Y203-F206 AromaticContact CD2-CD2 3.89Å; Y203-F206 HydrophobicContact CD2-CD2 3.89Å; Y203-F206 HydrophobicContact CD2-CE1 4.38Å; Y203-F206 AromaticContact CD2-CE2 3.4Å; Y203-F206 HydrophobicContact CD2-CE2 3.4Å; Y203-F206 VanDerWaalsContact CD2-CE2 3.4Å; Y203-F206 AromaticContact CD2-CZ 3.68Å; Y203-F206 HydrophobicContact CD2-CZ 3.68Å; Y203-F206 HydrophobicContact CE2-CE2 4.01Å; Y203-F206 HydrophobicContact CE2-CZ 4.43Å; Y203-F206 HydrophobicContact CG-CD2 4.42Å; Y203-F206 AromaticContact CG-CE1 3.98Å; Y203-F206 HydrophobicContact CG-CE1 3.98Å; Y203-F206 AromaticContact CG-CE2 3.81Å; Y203-F206 HydrophobicContact CG-CE2 3.81Å; Y203-F206 AromaticContact CG-CZ 3.55Å; Y203-F206 HydrophobicContact CG-CZ 3.55Å; Y203-F206 PolarHBondContact N-O 3.25Å; F206-V208 HydrophobicContact CD2-CG2 3.87Å; F206-V208 HydrophobicContact CE2-CG2 3.76Å; F206-T223 HydrophobicContact CD2-CG2 4.23Å; F206-S224 WeakPolarHBondContact CA-OG 3.11Å; F206-I231 VanDerWaalsContact C-CD1 3.45Å
207V95.7Very high90.9Very high0 Ų031.1 Ų31.10%017%0.165CC..EExtended strand (participates in β ladder)trans-116.8140.2176.663.20000111A200 V201 A202 T223 S224 I231 V234 V252 V254 W263A200-V207 HydrophobicContact CB-CG2 4.06Å; V201-V207 CarbonylContact O-C 3.52Å; V201-V207 WeakPolarHBondContact O-CA 3.47Å; A202-V207 HydrophobicContact CB-CB 4.33Å; A202-V207 HydrophobicContact CB-CG2 4.37Å; V207-T223 WeakPolarHBondContact O-CA 3.29Å; V207-S224 PolarHBondContact N-OG 2.79Å; V207-S224 PolarHBondContact O-N 2.67Å; V207-I231 HydrophobicContact CB-CD1 4.44Å; V207-V234 HydrophobicContact CG2-CG1 4.25Å; V207-V252 HydrophobicContact CG1-CG2 4.33Å; V207-V252 HydrophobicContact CG2-CG2 4.27Å; V207-V254 HydrophobicContact CB-CG1 4.05Å; V207-V254 HydrophobicContact CG1-CG1 3.73Å; V207-W263 HydrophobicContact CG1-CZ3 4.46Å
208V95.8Very high90.9Very high0 Ų030.6 Ų30.60%016%0.16CC..EExtended strand (participates in β ladder)trans-119.2129.2175-173.90000108.9P123 A200 V201 Y203 F206 Y210 Q220 F222 T223P123-V208 HydrophobicContact CB-CG2 4.07Å; P123-V208 HydrophobicContact CG-CG2 4.03Å; A200-V208 CarbonylContact C-O 3.57Å; A200-V208 WeakPolarHBondContact CA-O 3.33Å; V201-V208 PolarHBondContact N-O 3.42Å; V201-V208 PolarHBondContact O-N 3.03Å; Y203-V208 HydrophobicContact CD2-CG2 4.19Å; Y203-V208 HydrophobicContact CE2-CB 4.27Å; Y203-V208 HydrophobicContact CE2-CG2 3.79Å; F206-V208 HydrophobicContact CD2-CG2 3.87Å; F206-V208 HydrophobicContact CE2-CG2 3.76Å; V208-Y210 HydrophobicContact CB-CE2 3.9Å; V208-Y210 HydrophobicContact CG1-CD2 4.11Å; V208-Y210 HydrophobicContact CG1-CE1 4.35Å; V208-Y210 HydrophobicContact CG1-CE2 3.45Å; V208-Y210 VanDerWaalsContact CG1-CE2 3.45Å; V208-Q220 HydrophobicContact CG1-CG 3.67Å; V208-F222 CarbonylContact C-O 3.52Å; V208-F222 WeakPolarHBondContact CA-O 3.37Å; V208-F222 WeakPolarHBondContact CG1-O 3.34Å; V208-T223 HydrophobicContact CG2-CG2 4.09Å
209C95.6Very high90.7Very high0 Ų033.1 Ų33.10%017%0.173CC..EExtended strand (participates in β ladder)trans-106.1129.1176.8-60.30000110.7W198 I199 V221 F222 I265W198-C209 HydrophobicContact CE3-CB 4.43Å; W198-C209 HydrophobicContact CZ3-CB 4.43Å; I199-C209 CarbonylContact O-C 3.52Å; I199-C209 WeakPolarHBondContact O-CA 3.05Å; C209-V221 PolarHBondContact O-N 3.17Å; C209-F222 HydrophobicContact CB-CB 4.23Å; C209-F222 PolarHBondContact N-O 3.07Å; C209-F222 PolarHBondContact O-N 2.89Å; C209-I265 HydrophobicContact CB-CD1 3.81Å
210Y94.3Very high90.6Very high7 Ų737.9 Ų37.93%0.02720%0.195CC..EExtended strand (participates in β ladder)trans-114.3149.5175.7-56.8-100.6000110.3L120 W198 I199 V201 V208 Q219 Q220 I566L120-Y210 HydrophobicContact CD1-CD1 3.88Å; L120-Y210 HydrophobicContact CD1-CD2 4.33Å; L120-Y210 HydrophobicContact CD1-CE1 4.03Å; L120-Y210 HydrophobicContact CD1-CE2 4.46Å; L120-Y210 HydrophobicContact CD1-CG 4.05Å; L120-Y210 HydrophobicContact CD2-CD1 4.31Å; L120-Y210 HydrophobicContact CD2-CE1 4.34Å; W198-Y210 VanDerWaalsContact CA-O 3.28Å; W198-Y210 WeakPolarHBondContact CA-O 3.19Å; I199-Y210 HydrophobicContact CD1-CD2 4.35Å; I199-Y210 HydrophobicContact CG1-CD2 4.2Å; I199-Y210 HydrophobicContact CG1-CG 4.45Å; I199-Y210 PolarHBondContact N-O 3.36Å; I199-Y210 PolarHBondContact O-N 2.83Å; V201-Y210 HydrophobicContact CB-CE2 4.4Å; V201-Y210 HydrophobicContact CG2-CD2 4.16Å; V201-Y210 HydrophobicContact CG2-CE2 4.1Å; V208-Y210 HydrophobicContact CB-CE2 3.9Å; V208-Y210 HydrophobicContact CG1-CD2 4.11Å; V208-Y210 HydrophobicContact CG1-CE1 4.35Å; V208-Y210 HydrophobicContact CG1-CE2 3.45Å; V208-Y210 VanDerWaalsContact CG1-CE2 3.45Å; Y210-Q219 CarbonylContact C-O 3.57Å; Y210-Q219 VanDerWaalsContact CA-O 3.23Å; Y210-Q219 WeakPolarHBondContact CA-O 3.39Å; Y210-Q220 HydrophobicContact CD1-CB 3.88Å; Y210-Q220 HydrophobicContact CE1-CB 3.78Å; Y210-Q220 HydrophobicContact CE1-CG 4.32Å; Y210-I566 HydrophobicContact CE2-CD1 4Å
211R91.3Very high90.3Very high101 Ų10138.9 Ų38.938%0.38120%0.202SC..EExtended strand (participates in β ladder)trans-128.7134.2178.8172.5-178154.6-170.8-1.9110W198 K213 W218 Q219 V221W198-R211 HydrophobicContact CD2-CB 3.75Å; W198-R211 HydrophobicContact CD2-CG 4.1Å; W198-R211 HydrophobicContact CE3-CB 3.94Å; W198-R211 HydrophobicContact CG-CB 4.24Å; W198-R211 HydrophobicContact CG-CG 4.4Å; W198-R211 HydrophobicContact CH2-CB 4.43Å; W198-R211 HydrophobicContact CZ2-CB 4.23Å; W198-R211 HydrophobicContact CZ2-CG 4.18Å; W198-R211 HydrophobicContact CZ3-CB 4.28Å; R211-K213 HydrophobicContact CG-CG 4.42Å; R211-W218 WeakPolarHBondContact O-CA 3.33Å; R211-Q219 PolarHBondContact N-O 3.31Å; R211-Q219 PolarHBondContact O-N 2.95Å; R211-V221 HydrophobicContact CB-CG2 3.54Å
212M87.9Confident90.1Very high55 Ų5539.4 Ų39.427%0.27120%0.204SC..EExtended strand (participates in β ladder)trans-76.1133168.5-173.855.9167.200110.5N197 W218N197-M212 HydrophobicContact CB-CB 4.28Å; N197-M212 PolarHBondContact O-N 2.86Å; M212-W218 HydrophobicContact CB-CD2 3.96Å; M212-W218 HydrophobicContact CB-CE3 4.09Å; M212-W218 HydrophobicContact CB-CH2 4Å; M212-W218 HydrophobicContact CB-CZ2 3.85Å; M212-W218 HydrophobicContact CB-CZ3 4.11Å; M212-W218 HydrophobicContact CG-CZ2 4.39Å; M212-W218 VanDerWaalsContact SD-CD1 3.55Å; M212-W218 HydrophobicContact SD-CD2 4.21Å; M212-W218 HydrophobicContact SD-CG 3.98Å
213K83.4Confident90Very high65 Ų6541.1 Ų41.128%0.28321%0.214SC..EExtended strand (participates in β ladder)trans-129.2130.4172.5-66.9-180-174.3172.10109R211 S215 T216 G217R211-K213 HydrophobicContact CG-CG 4.42Å; K213-S215 PolarHBondContact O-N 2.89Å; K213-S215 VanDerWaalsContact O-N 3.09Å; K213-T216 WeakPolarHBondContact CB-OG1 3.49Å; K213-T216 PolarHBondContact O-N 3.33Å; K213-T216 VanDerWaalsContact O-N 3.17Å; K213-G217 PolarHBondContact N-O 2.91Å; K213-G217 PolarHBondContact O-N 2.86Å
214E76.8Confident90Very high101 Ų10141.1 Ų41.147%0.47221%0.214SC..THydrogen-bonded Turntrans-50.6-39.7-176.5-64.9-169.6-174.500114.2S546 S547 R548E214-S546 WeakPolarHBondContact OE1-CA 3.45Å; E214-S546 WeakPolarHBondContact OE1-CB 3.24Å; E214-S546 PolarHBondContact OE1-OG 2.94Å; E214-S546 PolarHBondContact OE2-OG 3.47Å; E214-S547 PolarHBondContact OE1-N 3.05Å; E214-R548 IonicContact OE2-CZ 2.76Å; E214-R548 IonicContact OE2-NE 2.67Å; E214-R548 PolarHBondContact OE2-NE 3.11Å; E214-R548 IonicContact OE2-NH2 2.69Å; E214-R548 PolarHBondContact OE2-NH2 2.92Å
215S76.8Confident90Very high110 Ų11043.2 Ų43.277%0.76923%0.228SC*.THydrogen-bonded Turntrans-86.7-12.6-172.550.50000114.9K213K213-S215 PolarHBondContact O-N 2.89Å; K213-S215 VanDerWaalsContact O-N 3.09Å
216T81.3Confident89.9Confident72 Ų7244.4 Ų44.444%0.44223%0.23SC..THydrogen-bonded Turntrans-141.33.2-17060.90000114.4K213 Q219K213-T216 WeakPolarHBondContact CB-OG1 3.49Å; K213-T216 PolarHBondContact O-N 3.33Å; K213-T216 VanDerWaalsContact O-N 3.17Å; T216-Q219 PolarHBondContact OG1-NE2 2.91Å
217G86.1Confident89.8Confident26 Ų2644.7 Ų44.727%0.26823%0.232SC..EExtended strand (participates in β ladder)trans67.8-152.7-172.400000112.8K213K213-G217 PolarHBondContact N-O 2.91Å; K213-G217 PolarHBondContact O-N 2.86Å
218W90.4Very high89.4Confident29 Ų2949 Ų4911%0.1126%0.255CS..EExtended strand (participates in β ladder)trans-73.8132.6177.6-6988.4000111.3L120 I199 R211 M212 F558 M568L120-W218 HydrophobicContact CD2-CB 4.03Å; I199-W218 HydrophobicContact CB-CZ3 4.38Å; I199-W218 HydrophobicContact CD1-CZ3 4.4Å; I199-W218 HydrophobicContact CG1-CE3 4.26Å; I199-W218 HydrophobicContact CG1-CZ3 3.88Å; I199-W218 HydrophobicContact CG2-CH2 3.98Å; I199-W218 HydrophobicContact CG2-CZ3 4.04Å; R211-W218 WeakPolarHBondContact O-CA 3.33Å; M212-W218 HydrophobicContact CB-CD2 3.96Å; M212-W218 HydrophobicContact CB-CE3 4.09Å; M212-W218 HydrophobicContact CB-CH2 4Å; M212-W218 HydrophobicContact CB-CZ2 3.85Å; M212-W218 HydrophobicContact CB-CZ3 4.11Å; M212-W218 HydrophobicContact CG-CZ2 4.39Å; M212-W218 VanDerWaalsContact SD-CD1 3.55Å; M212-W218 HydrophobicContact SD-CD2 4.21Å; M212-W218 HydrophobicContact SD-CG 3.98Å; W218-F558 HydrophobicContact CH2-CE1 4.4Å; W218-F558 AromaticContact CH2-CZ 3.95Å; W218-F558 HydrophobicContact CH2-CZ 3.95Å; W218-F558 HydrophobicContact CZ2-CE1 4.06Å; W218-F558 AromaticContact CZ2-CZ 3.65Å; W218-F558 HydrophobicContact CZ2-CZ 3.65Å; W218-M568 HydrophobicContact CG-CE 4.44Å; W218-M568 HydrophobicContact CG-SD 4.25Å
219Q90.6Very high89.1Confident71 Ų7152 Ų5233%0.33228%0.275SS..EExtended strand (participates in β ladder)trans-128.1139.4174.8-64.6-167-33.200110.3Y210 R211 T216Y210-Q219 CarbonylContact C-O 3.57Å; Y210-Q219 VanDerWaalsContact CA-O 3.23Å; Y210-Q219 WeakPolarHBondContact CA-O 3.39Å; R211-Q219 PolarHBondContact N-O 3.31Å; R211-Q219 PolarHBondContact O-N 2.95Å; T216-Q219 PolarHBondContact OG1-NE2 2.91Å
220Q92.4Very high88.8Confident100 Ų10054.1 Ų54.147%0.46729%0.288SS..EExtended strand (participates in β ladder)trans-63.3131.7165.9-176.8172.5-31.100108.8V208 Y210 T223V208-Q220 HydrophobicContact CG1-CG 3.67Å; Y210-Q220 HydrophobicContact CD1-CB 3.88Å; Y210-Q220 HydrophobicContact CE1-CB 3.78Å; Y210-Q220 HydrophobicContact CE1-CG 4.32Å; Q220-T223 PolarHBondContact NE2-OG1 3.25Å
221V91.8Very high88.8Confident22 Ų2253.8 Ų53.813%0.13329%0.286CS..EExtended strand (participates in β ladder)trans-120.9-29-179.5-173.30000112.1W198 C209 R211 I265 G269W198-V221 HydrophobicContact CH2-CB 4.13Å; W198-V221 HydrophobicContact CH2-CG1 3.77Å; W198-V221 HydrophobicContact CH2-CG2 4.32Å; W198-V221 HydrophobicContact CZ3-CB 3.86Å; W198-V221 HydrophobicContact CZ3-CG1 3.98Å; W198-V221 HydrophobicContact CZ3-CG2 4.17Å; C209-V221 PolarHBondContact O-N 3.17Å; R211-V221 HydrophobicContact CB-CG2 3.54Å; V221-I265 HydrophobicContact CG1-CG2 3.95Å; V221-G269 CarbonylContact O-C 3.51Å; V221-G269 VanDerWaalsContact O-C 3.31Å; V221-G269 WeakPolarHBondContact O-CA 3.06Å
222F93.3Very high88.8Confident10 Ų1050.6 Ų50.64%0.04428%0.277CS..EExtended strand (participates in β ladder)trans-148.6150.6178.5168.4-108.7000111.3V208 C209 V252 W263 I265V208-F222 CarbonylContact C-O 3.52Å; V208-F222 WeakPolarHBondContact CA-O 3.37Å; V208-F222 WeakPolarHBondContact CG1-O 3.34Å; C209-F222 HydrophobicContact CB-CB 4.23Å; C209-F222 PolarHBondContact N-O 3.07Å; C209-F222 PolarHBondContact O-N 2.89Å; F222-V252 HydrophobicContact CD1-CG1 3.91Å; F222-V252 HydrophobicContact CE1-CG1 3.66Å; F222-W263 HydrophobicContact CZ-CB 4.24Å; F222-W263 HydrophobicContact CZ-CD2 4.25Å; F222-W263 HydrophobicContact CZ-CG 4Å; F222-I265 HydrophobicContact CB-CD1 4.12Å; F222-I265 HydrophobicContact CB-CG1 3.99Å; F222-I265 HydrophobicContact CB-CG2 3.93Å; F222-I265 HydrophobicContact CD1-CD1 4.22Å; F222-I265 HydrophobicContact CD1-CG1 4.05Å; F222-I265 HydrophobicContact CG-CD1 4.42Å; F222-I265 HydrophobicContact CG-CG1 4.01Å
223T94.1Very high89.1Confident37 Ų3750.1 Ų50.123%0.22727%0.272CS..EExtended strand (participates in β ladder)trans-138125.7170.6-60.10000108.2P126 F206 V207 V208 Q220P126-T223 HydrophobicContact CB-CG2 3.86Å; P126-T223 HydrophobicContact CG-CG2 3.85Å; F206-T223 HydrophobicContact CD2-CG2 4.23Å; V207-T223 WeakPolarHBondContact O-CA 3.29Å; V208-T223 HydrophobicContact CG2-CG2 4.09Å; Q220-T223 PolarHBondContact NE2-OG1 3.25Å
224S93.8Very high89.7Confident0 Ų047.6 Ų47.60%026%0.262CS..PPolyproline II helixtrans-68.5153176.376.90000111P126 F206 V207P126-S224 WeakPolarHBondContact CB-O 3.46Å; P126-S224 VanDerWaalsContact CG-O 3.29Å; P126-S224 WeakPolarHBondContact CG-O 3.39Å; F206-S224 WeakPolarHBondContact CA-OG 3.11Å; V207-S224 PolarHBondContact N-OG 2.79Å; V207-S224 PolarHBondContact O-N 2.67Å
225P91.5Very high90.6Very high46 Ų4643 Ų4330%0.29924%0.241SC..PPolyproline II helixtrans-53.2149.1158.1-22.734.5000110.5R129 L227R129-P225 HydrophobicContact CB-CB 3.79Å; R129-P225 HydrophobicContact CG-CB 4.18Å; P225-L227 PolarHBondContact O-N 2.94Å
226R91.2Very high91.5Very high78 Ų7838.2 Ų38.229%0.29421%0.207SC..BIsolated β-bridgetrans-72.6125.2175.9161.2163.238.3161.3-7110.7P126 A127 R129 Q205P126-R226 HydrophobicContact CG-CB 4.19Å; P126-R226 PolarHBondContact O-NE 3.4Å; P126-R226 VanDerWaalsContact O-NE 3.11Å; P126-R226 PolarHBondContact O-NH2 3.3Å; A127-R226 PolarHBondContact O-N 3.44Å; R129-R226 WeakPolarHBondContact CB-O 3.23Å; R129-R226 PolarHBondContact N-O 3.43Å; Q205-R226 HydrophobicContact CB-CG 3.94Å; Q205-R226 WeakPolarHBondContact O-CA 3.45Å; Q205-R226 VanDerWaalsContact OE1-CD 3.31Å
227L91.3Very high92.1Very high9 Ų934.9 Ų34.95%0.04719%0.186CC..PPolyproline II helixtrans-79.6170179.3-52.8-175.6000111.4Q205 P225 I231 V254 I261 W263Q205-L227 PolarHBondContact O-N 3.09Å; P225-L227 PolarHBondContact O-N 2.94Å; L227-I231 HydrophobicContact CD1-CD1 4.3Å; L227-I231 HydrophobicContact CD1-CG1 4Å; L227-V254 HydrophobicContact CD1-CG2 3.92Å; L227-I261 HydrophobicContact CD1-CD1 4.08Å; L227-I261 HydrophobicContact CD2-CD1 3.6Å; L227-W263 HydrophobicContact CD2-CH2 4.48Å
228D87.4Confident92.1Very high91 Ų9134 Ų3449%0.48718%0.177SC..SBendtrans-81.4-42.3173.9-74.3-82.7000112.1K128 Q205K128-D228 WeakPolarHBondContact CE-OD1 3.45Å; K128-D228 IonicContact NZ-OD1 2.86Å; K128-D228 PolarHBondContact NZ-OD1 3.09Å; Q205-D228 PolarHBondContact NE2-O 3.37Å
229C89.4Confident91.5Very high62 Ų6236.6 Ų36.642%0.41919%0.189SC..SBendtrans-99.7170.5-178-66.60000112.5S256 V257C229-S256 WeakPolarHBondContact CB-OG 3.38Å; C229-V257 HydrophobicContact CB-CG2 3.95Å
230V90.6Very high90.1Very high44 Ų4434 Ų3427%0.26718%0.178SC..PPolyproline II helixtrans-77.6143.3-179.9176.50000111.1A204 S256A204-V230 CarbonylContact O-C 3.58Å; A204-V230 WeakPolarHBondContact O-CA 3.46Å; V230-S256 WeakPolarHBondContact O-CA 3.2Å; V230-S256 VanDerWaalsContact O-CB 3.28Å; V230-S256 WeakPolarHBondContact O-CB 3.33Å; V230-S256 PolarHBondContact O-OG 2.87Å
231I93.1Very high88.2Confident0 Ų035.5 Ų35.50%019%0.186CC..PPolyproline II helixtrans-79.5120.8174.3-64.7170.2000109.8I191 A202 A204 F206 V207 L227 V234 V254I191-I231 HydrophobicContact CD1-CG2 4.34Å; A202-I231 HydrophobicContact CB-CB 4.29Å; A202-I231 HydrophobicContact CB-CD1 4.12Å; A202-I231 HydrophobicContact CB-CG2 3.82Å; A204-I231 PolarHBondContact O-N 3.26Å; F206-I231 VanDerWaalsContact C-CD1 3.45Å; V207-I231 HydrophobicContact CB-CD1 4.44Å; L227-I231 HydrophobicContact CD1-CD1 4.3Å; L227-I231 HydrophobicContact CD1-CG1 4Å; I231-V234 HydrophobicContact CG2-CG2 3.89Å; I231-V254 HydrophobicContact CD1-CB 4.47Å; I231-V254 HydrophobicContact CD1-CG1 4.25Å; I231-V254 HydrophobicContact CG1-CB 4.41Å; I231-V254 HydrophobicContact CG1-CG2 4.42Å; I231-V254 HydrophobicContact CG2-CB 4.01Å; I231-V254 HydrophobicContact CG2-CG1 4.23Å
232D91.6Very high86.4Confident34 Ų3437.3 Ų37.318%0.18221%0.209CC..  trans-99.2-32.6-176.9-56.7-56.8000112.4I191 A255 S256 V257 A486I191-D232 WeakPolarHBondContact CD1-O 3.35Å; D232-A255 PolarHBondContact N-O 2.66Å; D232-S256 WeakPolarHBondContact OD2-CA 3.14Å; D232-V257 PolarHBondContact OD2-N 3.17Å; D232-A486 VanDerWaalsContact O-CB 3.23Å; D232-A486 WeakPolarHBondContact O-CB 3.22Å
233R94.6Very high84Confident46 Ų4640.3 Ų40.317%0.17424%0.244CC..EExtended strand (participates in β ladder)trans-143.5151.3178.2-58-68.1157.2156.8-9.4111.5V254 A255 A283 E284 L286 G483R233-V254 CarbonylContact O-C 3.56Å; R233-V254 VanDerWaalsContact O-CA 3.27Å; R233-V254 WeakPolarHBondContact O-CA 3.16Å; R233-A255 HydrophobicContact CB-CB 4.12Å; R233-A255 PolarHBondContact N-O 3.21Å; R233-A255 PolarHBondContact O-N 3.46Å; R233-A283 WeakPolarHBondContact CG-O 3.34Å; R233-E284 WeakPolarHBondContact CD-O 3.5Å; R233-E284 PolarHBondContact NE-O 3.09Å; R233-E284 VanDerWaalsContact NE-O 3.08Å; R233-E284 PolarHBondContact NH1-O 3.07Å; R233-L286 HydrophobicContact CB-CB 3.77Å; R233-L286 HydrophobicContact CB-CD2 4.42Å; R233-G483 PolarHBondContact NH2-O 2.92Å
234V96.3Very high81.8Confident12 Ų1241.4 Ų41.47%0.07325%0.253CS..EExtended strand (participates in β ladder)trans-132.5136.8177.2-175.80000109I191 C193 A200 A202 V207 I231 V252 A253 V254I191-V234 HydrophobicContact CB-CG2 4.09Å; I191-V234 HydrophobicContact CD1-CG2 4.04Å; I191-V234 HydrophobicContact CG2-CB 4.23Å; I191-V234 HydrophobicContact CG2-CG2 3.99Å; C193-V234 HydrophobicContact CB-CB 4.3Å; C193-V234 HydrophobicContact CB-CG1 4.06Å; A200-V234 HydrophobicContact CB-CG1 3.92Å; A202-V234 HydrophobicContact CB-CG2 3.44Å; A202-V234 VanDerWaalsContact CB-CG2 3.44Å; V207-V234 HydrophobicContact CG2-CG1 4.25Å; I231-V234 HydrophobicContact CG2-CG2 3.89Å; V234-V252 HydrophobicContact CG1-CG2 4.38Å; V234-A253 WeakPolarHBondContact CA-O 2.87Å; V234-V254 HydrophobicContact CG2-CG1 4.38Å
235A96Very high79.8Confident3 Ų342.8 Ų42.83%0.02526%0.26CS..EExtended strand (participates in β ladder)trans-126.8138168.400000110.5V252 A253 L286 F288 L293A235-V252 WeakPolarHBondContact O-CA 3.25Å; A235-A253 HydrophobicContact CB-CB 4.41Å; A235-A253 PolarHBondContact N-O 3.13Å; A235-A253 PolarHBondContact O-N 2.87Å; A235-L286 HydrophobicContact CB-CB 4.47Å; A235-L286 HydrophobicContact CB-CD2 4.19Å; A235-L286 HydrophobicContact CB-CG 3.89Å; A235-F288 HydrophobicContact CB-CD2 3.83Å; A235-F288 HydrophobicContact CB-CE2 3.78Å; A235-L293 HydrophobicContact CB-CD1 3.99Å
236L95.1Very high77.9Confident10 Ų1043 Ų435%0.05227%0.27CS..EExtended strand (participates in β ladder)trans-126129.2178.7178.165.7000109.9H195 W198 A200 V252H195-L236 HydrophobicContact CB-CB 4.31Å; H195-L236 HydrophobicContact CB-CD2 3.99Å; H195-L236 HydrophobicContact CB-CG 4Å; H195-L236 PolarHBondContact CD2-O 2.89Å; W198-L236 HydrophobicContact CB-CD2 3.88Å; A200-L236 HydrophobicContact CB-CB 4.21Å; A200-L236 HydrophobicContact CB-CD1 4.35Å; A200-L236 HydrophobicContact CB-CD2 4.07Å; A200-L236 HydrophobicContact CB-CG 4.45Å; L236-V252 HydrophobicContact CD1-CB 4.37Å
237N92.8Very high75.9Confident2 Ų245.5 Ų45.51%0.01129%0.289CS..EExtended strand (participates in β ladder)trans-121114.6167.7-177.4-12.7000109.6K239 K250 M251 F288 G290N237-K239 PolarHBondContact OD1-N 3.4Å; N237-K250 WeakPolarHBondContact O-CA 3.4Å; N237-M251 HydrophobicContact CB-CE 4.49Å; N237-M251 PolarHBondContact N-O 2.89Å; N237-M251 PolarHBondContact O-N 2.74Å; N237-F288 HydrophobicContact CB-CB 4.17Å; N237-F288 HydrophobicContact CB-CD1 3.95Å; N237-F288 HydrophobicContact CB-CD2 3.59Å; N237-F288 HydrophobicContact CB-CE1 4.17Å; N237-F288 HydrophobicContact CB-CE2 3.83Å; N237-F288 HydrophobicContact CB-CG 3.65Å; N237-F288 HydrophobicContact CB-CZ 4.11Å; N237-G290 PolarHBondContact ND2-O 2.94Å
238A86.1Confident74.2Confident9 Ų947.4 Ų47.47%0.07430%0.3CS..  trans-103.43.4178.400000114.6H195 W198 K250H195-A238 PolarHBondContact CE1-N 2.75Å; H195-A238 VanDerWaalsContact CE1-N 3.33Å; H195-A238 WeakPolarHBondContact ND1-CB 3.23Å; H195-A238 PolarHBondContact ND1-N 2.79Å; H195-A238 WeakPolarHBondContact O-CB 3.34Å; W198-A238 HydrophobicContact CB-CB 4.1Å; W198-A238 HydrophobicContact CD2-CB 4.47Å; W198-A238 HydrophobicContact CG-CB 3.82Å; A238-K250 HydrophobicContact CB-CD 4.17Å; A238-K250 WeakPolarHBondContact O-CD 3.36Å; A238-K250 WeakPolarHBondContact O-CE 3.17Å; A238-K250 PolarHBondContact O-NZ 3.16Å; A238-K250 VanDerWaalsContact O-NZ 3.07Å
239K78.2Confident73.5Confident82 Ų8245.5 Ų45.536%0.35729%0.289SS..  trans-148.576.9-171.8-164.3171.5-175.5171.80111.3H196 N237 M241 E544H196-K239 WeakPolarHBondContact CD2-CD 3.32Å; H196-K239 PolarHBondContact CD2-NZ 2.93Å; H196-K239 WeakPolarHBondContact NE2-CD 3.39Å; H196-K239 PolarHBondContact NE2-NZ 2.98Å; N237-K239 PolarHBondContact OD1-N 3.4Å; K239-M241 PolarHBondContact O-N 2.91Å; K239-E544 IonicContact NZ-OE1 3.52Å; K239-E544 PolarHBondContact NZ-OE1 2.87Å
240V62.3Low73.4Confident16 Ų1644.9 Ų44.910%0.09728%0.279CS..  trans-64.5121.7169.1169.60000109.5D249 M251 N291V240-D249 HydrophobicContact CB-CB 4.09Å; V240-D249 HydrophobicContact CG2-CB 4.45Å; V240-M251 HydrophobicContact CG2-CE 3.95Å; V240-N291 WeakPolarHBondContact CA-OD1 3.49Å
241M52.5Low73.5Confident132 Ų13242.8 Ų42.865%0.6527%0.267SS*.SBendtrans-95.4127.6174.6-75.1-71.3-163.900109.5K239 N291K239-M241 PolarHBondContact O-N 2.91Å; M241-N291 PolarHBondContact N-OD1 2.85Å; M241-N291 PolarHBondContact O-ND2 2.93Å
242G52.5Low73.6Confident60 Ų6042.8 Ų42.862%0.61927%0.267SS*.SBendtrans75.895.2179.900000112.8S244G242-S244 PolarHBondContact O-N 3.01Å
243G44.4Very low73.9Confident74 Ų7441.2 Ų41.276%0.76326%0.258SS*.  trans-62.598.3-173.800000113.9
244S46.7Very low74Confident60 Ų6039 Ų3942%0.4225%0.25SS..SBendtrans-111.2-1169450000112.9G242G242-S244 PolarHBondContact O-N 3.01Å
245L51.6Low73.9Confident29 Ų2938.5 Ų38.515%0.15225%0.247CC..SBendtrans-116.3-4.1-176.1-9369.4000114.9N248 M251 A307 K310L245-N248 HydrophobicContact CB-CB 4.41Å; L245-N248 PolarHBondContact O-ND2 2.86Å; L245-M251 HydrophobicContact CD2-SD 4.21Å; L245-A307 WeakPolarHBondContact CD1-O 3.2Å; L245-K310 VanDerWaalsContact CG-NZ 3.34Å
246G53.4Low73.7Confident49 Ų4938.8 Ų38.851%0.50525%0.249SC..THydrogen-bonded Turntrans62.9-157.1-160.600000111.5N248G246-N248 PolarHBondContact O-N 2.68Å
247D47.3Very low73.3Confident131 Ų13141.9 Ų41.970%0.70127%0.268SS*.THydrogen-bonded Turntrans-61.84.3-173.6-57.9-59.2000116.3D249 P267D247-D249 PolarHBondContact O-N 3.32Å; D247-P267 HydrophobicContact CB-CG 4.24Å
248N56.8Low73.2Confident50 Ų5044.5 Ų44.527%0.26728%0.284SS..  trans-81.839.2178.8-60.5-75000112.3L245 G246 K250 C266L245-N248 HydrophobicContact CB-CB 4.41Å; L245-N248 PolarHBondContact O-ND2 2.86Å; G246-N248 PolarHBondContact O-N 2.68Å; N248-K250 PolarHBondContact O-N 3.38Å; N248-C266 PolarHBondContact OD1-SG 3.29Å; N248-C266 VanDerWaalsContact OD1-SG 3.36Å
249D71.6Confident73.5Confident50 Ų5048.3 Ų48.327%0.26730%0.3SS..  trans-7214.6-172.4-71.6-31.3000114.9V240 D247V240-D249 HydrophobicContact CB-CB 4.09Å; V240-D249 HydrophobicContact CG2-CB 4.45Å; D247-D249 PolarHBondContact O-N 3.32Å
250K87.9Confident74.4Confident49 Ų4944.4 Ų44.421%0.21328%0.284CS..  trans-135.9120.2-171.5-54.2-64.6161.5-75.80108.3W198 N237 A238 N248 S264 I265W198-K250 HydrophobicContact CH2-CB 4.42Å; W198-K250 HydrophobicContact CH2-CD 4.39Å; W198-K250 HydrophobicContact CH2-CG 4.15Å; W198-K250 HydrophobicContact CZ2-CD 3.66Å; W198-K250 HydrophobicContact CZ2-CG 3.81Å; N237-K250 WeakPolarHBondContact O-CA 3.4Å; A238-K250 HydrophobicContact CB-CD 4.17Å; A238-K250 WeakPolarHBondContact O-CD 3.36Å; A238-K250 WeakPolarHBondContact O-CE 3.17Å; A238-K250 PolarHBondContact O-NZ 3.16Å; A238-K250 VanDerWaalsContact O-NZ 3.07Å; N248-K250 PolarHBondContact O-N 3.38Å; K250-S264 CarbonylContact O-C 3.46Å; K250-S264 VanDerWaalsContact O-CA 3.31Å; K250-S264 WeakPolarHBondContact O-CA 3.42Å; K250-I265 HydrophobicContact CB-CB 3.99Å; K250-I265 PolarHBondContact O-N 2.82Å
251M92.8Very high76Confident1 Ų143.8 Ų43.81%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-132.3139.3-176.1-65.6-177.3-66.900110.9N237 V240 L245 L262 W263 I274 F288 W305N237-M251 HydrophobicContact CB-CE 4.49Å; N237-M251 PolarHBondContact N-O 2.89Å; N237-M251 PolarHBondContact O-N 2.74Å; V240-M251 HydrophobicContact CG2-CE 3.95Å; L245-M251 HydrophobicContact CD2-SD 4.21Å; M251-L262 HydrophobicContact CB-CD1 4.14Å; M251-W263 VanDerWaalsContact CA-O 3.31Å; M251-W263 WeakPolarHBondContact CA-O 3.44Å; M251-I274 HydrophobicContact CG-CD1 4.43Å; M251-I274 HydrophobicContact SD-CD1 4.24Å; M251-F288 HydrophobicContact CB-CE1 4.22Å; M251-F288 HydrophobicContact CB-CZ 3.79Å; M251-F288 HydrophobicContact CE-CD1 4.29Å; M251-F288 HydrophobicContact CE-CE1 3.73Å; M251-F288 HydrophobicContact CE-CZ 4.44Å; M251-F288 HydrophobicContact SD-CE1 4.38Å; M251-W305 HydrophobicContact CE-CZ3 4.11Å; M251-W305 HydrophobicContact SD-CH2 3.73Å; M251-W305 HydrophobicContact SD-CZ3 3.57Å; M251-W305 VanDerWaalsContact SD-CZ3 3.57Å
252V95.8Very high78.1Confident0 Ų037.5 Ų37.50%025%0.249CC..EExtended strand (participates in β ladder)trans-127.5134.6169.961.20000108.8A200 V207 F222 V234 A235 L236 W263 I265A200-V252 HydrophobicContact CB-CG2 4.28Å; V207-V252 HydrophobicContact CG1-CG2 4.33Å; V207-V252 HydrophobicContact CG2-CG2 4.27Å; F222-V252 HydrophobicContact CD1-CG1 3.91Å; F222-V252 HydrophobicContact CE1-CG1 3.66Å; V234-V252 HydrophobicContact CG1-CG2 4.38Å; A235-V252 WeakPolarHBondContact O-CA 3.25Å; L236-V252 HydrophobicContact CD1-CB 4.37Å; V252-W263 HydrophobicContact CG1-CB 4.25Å; V252-W263 HydrophobicContact CG1-CE3 4.25Å; V252-W263 PolarHBondContact N-O 3.49Å; V252-W263 PolarHBondContact O-N 3.34Å; V252-I265 HydrophobicContact CB-CD1 4.34Å; V252-I265 HydrophobicContact CG1-CD1 4.02Å; V252-I265 HydrophobicContact CG1-CG1 4.14Å
253A96.9Very high80.1Confident0 Ų034.8 Ų34.80%022%0.22CC..EExtended strand (participates in β ladder)trans-122.6147.9173.500000110.1V234 A235 I261 L262 L286 L293V234-A253 WeakPolarHBondContact CA-O 2.87Å; A235-A253 HydrophobicContact CB-CB 4.41Å; A235-A253 PolarHBondContact N-O 3.13Å; A235-A253 PolarHBondContact O-N 2.87Å; A253-I261 CarbonylContact C-O 3.59Å; A253-I261 VanDerWaalsContact CA-O 3.24Å; A253-I261 WeakPolarHBondContact CA-O 3.31Å; A253-L262 HydrophobicContact CB-CD1 3.98Å; A253-L286 HydrophobicContact CB-CD2 3.97Å; A253-L293 HydrophobicContact CB-CD1 3.72Å; A253-L293 HydrophobicContact CB-CD2 3.63Å; A253-L293 HydrophobicContact CB-CG 4.36Å
254V96.9Very high82.3Confident1 Ų131.7 Ų31.71%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-130.1147.9169.8-54.80000110V207 L227 I231 R233 V234 I260 I261 W263V207-V254 HydrophobicContact CB-CG1 4.05Å; V207-V254 HydrophobicContact CG1-CG1 3.73Å; L227-V254 HydrophobicContact CD1-CG2 3.92Å; I231-V254 HydrophobicContact CD1-CB 4.47Å; I231-V254 HydrophobicContact CD1-CG1 4.25Å; I231-V254 HydrophobicContact CG1-CB 4.41Å; I231-V254 HydrophobicContact CG1-CG2 4.42Å; I231-V254 HydrophobicContact CG2-CB 4.01Å; I231-V254 HydrophobicContact CG2-CG1 4.23Å; R233-V254 CarbonylContact O-C 3.56Å; R233-V254 VanDerWaalsContact O-CA 3.27Å; R233-V254 WeakPolarHBondContact O-CA 3.16Å; V234-V254 HydrophobicContact CG2-CG1 4.38Å; V254-I260 CarbonylContact O-C 3.56Å; V254-I260 WeakPolarHBondContact O-CA 3.31Å; V254-I261 HydrophobicContact CG2-CB 4.45Å; V254-I261 PolarHBondContact N-O 3.11Å; V254-I261 PolarHBondContact O-N 3.44Å; V254-W263 HydrophobicContact CB-CZ3 4.41Å; V254-W263 HydrophobicContact CG1-CZ3 4.13Å; V254-W263 HydrophobicContact CG2-CH2 3.77Å; V254-W263 HydrophobicContact CG2-CZ3 3.65Å
255A95.4Very high84.4Confident1 Ų129 Ų291%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-107.7142.2166.200000109.7D232 R233 E259 I260 A283 L286D232-A255 PolarHBondContact N-O 2.66Å; R233-A255 HydrophobicContact CB-CB 4.12Å; R233-A255 PolarHBondContact N-O 3.21Å; R233-A255 PolarHBondContact O-N 3.46Å; A255-E259 CarbonylContact C-O 3.52Å; A255-E259 WeakPolarHBondContact CA-O 3.06Å; A255-I260 HydrophobicContact CB-CG1 4.19Å; A255-A283 HydrophobicContact CB-CB 3.86Å; A255-L286 HydrophobicContact CB-CD2 4.18Å
256S91.3Very high85.9Confident9 Ų928.2 Ų28.26%0.06316%0.164CC..EExtended strand (participates in β ladder)trans-147.7110.2179.3-173.40000109C229 V230 D232 T258 E259C229-S256 WeakPolarHBondContact CB-OG 3.38Å; V230-S256 WeakPolarHBondContact O-CA 3.2Å; V230-S256 VanDerWaalsContact O-CB 3.28Å; V230-S256 WeakPolarHBondContact O-CB 3.33Å; V230-S256 PolarHBondContact O-OG 2.87Å; D232-S256 WeakPolarHBondContact OD2-CA 3.14Å; S256-T258 PolarHBondContact O-N 2.95Å; S256-E259 PolarHBondContact N-O 3.34Å; S256-E259 PolarHBondContact O-N 2.93Å
257V86.6Confident86.8Confident75 Ų7531.2 Ų31.246%0.45517%0.174SC..THydrogen-bonded Turntrans53.1-106.9-167.9-1660000110C229 D232 P282C229-V257 HydrophobicContact CB-CG2 3.95Å; D232-V257 PolarHBondContact OD2-N 3.17Å; V257-P282 WeakPolarHBondContact O-CA 3.32Å
258T89.9Confident88Confident57 Ų5730.2 Ų30.235%0.3517%0.169SC..THydrogen-bonded Turntrans-106.2-7.4176.558.10000114S256 S278S256-T258 PolarHBondContact O-N 2.95Å; T258-S278 WeakPolarHBondContact O-CA 3.25Å; T258-S278 VanDerWaalsContact O-CB 3.26Å; T258-S278 WeakPolarHBondContact O-CB 3.48Å; T258-S278 PolarHBondContact O-OG 2.77Å
259E93.5Very high88.6Confident88 Ų8829.1 Ų29.141%0.41117%0.17SC..EExtended strand (participates in β ladder)trans-83135.5175.7-71.1-160.4172.800110.7R129 A255 S256 V276R129-E259 IonicContact NH1-OE2 2.66Å; A255-E259 CarbonylContact C-O 3.52Å; A255-E259 WeakPolarHBondContact CA-O 3.06Å; S256-E259 PolarHBondContact N-O 3.34Å; S256-E259 PolarHBondContact O-N 2.93Å; E259-V276 HydrophobicContact CB-CG1 4.22Å; E259-V276 HydrophobicContact CG-CG1 4.15Å
260I96.6Very high89Confident1 Ų131.7 Ų31.71%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-117.5117.5169.1-61166.3000107V254 A255 V276 F277 L279 A283 L286 L293 A295 W312V254-I260 CarbonylContact O-C 3.56Å; V254-I260 WeakPolarHBondContact O-CA 3.31Å; A255-I260 HydrophobicContact CB-CG1 4.19Å; I260-V276 CarbonylContact O-C 3.5Å; I260-V276 WeakPolarHBondContact O-CA 3.36Å; I260-F277 HydrophobicContact CB-CB 4.41Å; I260-F277 PolarHBondContact N-O 2.95Å; I260-F277 PolarHBondContact O-N 2.83Å; I260-L279 HydrophobicContact CD1-CG 4.12Å; I260-A283 HydrophobicContact CD1-CB 4.19Å; I260-A283 HydrophobicContact CG1-CB 4.39Å; I260-L286 HydrophobicContact CD1-CD1 4.47Å; I260-L286 HydrophobicContact CG2-CD1 3.87Å; I260-L293 HydrophobicContact CG2-CD2 4.09Å; I260-A295 HydrophobicContact CD1-CB 3.52Å; I260-W312 HydrophobicContact CD1-CH2 3.67Å; I260-W312 HydrophobicContact CD1-CZ2 3.87Å
261I95.9Very high88.7Confident2 Ų230.6 Ų30.61%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-112.1130.9-178.9-46.6170.2000108.8L227 A253 V254 W263 E273 V276L227-I261 HydrophobicContact CD1-CD1 4.08Å; L227-I261 HydrophobicContact CD2-CD1 3.6Å; A253-I261 CarbonylContact C-O 3.59Å; A253-I261 VanDerWaalsContact CA-O 3.24Å; A253-I261 WeakPolarHBondContact CA-O 3.31Å; V254-I261 HydrophobicContact CG2-CB 4.45Å; V254-I261 PolarHBondContact N-O 3.11Å; V254-I261 PolarHBondContact O-N 3.44Å; I261-W263 HydrophobicContact CB-CH2 3.68Å; I261-W263 HydrophobicContact CB-CZ2 3.99Å; I261-W263 HydrophobicContact CB-CZ3 4.03Å; I261-W263 HydrophobicContact CD1-CH2 4.25Å; I261-W263 HydrophobicContact CD1-CZ2 4.41Å; I261-W263 HydrophobicContact CG2-CD2 4.17Å; I261-W263 HydrophobicContact CG2-CE3 4.33Å; I261-W263 HydrophobicContact CG2-CH2 3.6Å; I261-W263 HydrophobicContact CG2-CZ2 3.36Å; I261-W263 HydrophobicContact CG2-CZ3 4.07Å; I261-E273 HydrophobicContact CG2-CG 4Å; I261-V276 HydrophobicContact CG1-CG1 4.3Å; I261-V276 HydrophobicContact CG1-CG2 4.32Å; I261-V276 HydrophobicContact CG2-CG2 4.45Å
262L95.8Very high88.5Confident0 Ų035.1 Ų35.10%021%0.21CC..EExtended strand (participates in β ladder)trans-119130.4-177.8173.763.8000110.2M251 A253 I274 G275 F277 F288 L293 W305M251-L262 HydrophobicContact CB-CD1 4.14Å; A253-L262 HydrophobicContact CB-CD1 3.98Å; L262-I274 HydrophobicContact CB-CB 4.45Å; L262-I274 HydrophobicContact CD2-CB 4.18Å; L262-I274 HydrophobicContact CD2-CD1 4.13Å; L262-I274 HydrophobicContact CD2-CG2 3.86Å; L262-I274 HydrophobicContact CG-CB 4.02Å; L262-I274 HydrophobicContact CG-CD1 3.97Å; L262-I274 HydrophobicContact CG-CG2 4.27Å; L262-I274 WeakPolarHBondContact O-CB 3.28Å; L262-I274 PolarHBondContact O-N 2.86Å; L262-G275 PolarHBondContact N-O 2.92Å; L262-G275 VanDerWaalsContact N-O 3.1Å; L262-G275 PolarHBondContact O-N 3.42Å; L262-F277 HydrophobicContact CB-CE2 3.94Å; L262-F277 HydrophobicContact CD2-CE2 4Å; L262-F288 HydrophobicContact CD1-CE1 4.48Å; L262-F288 HydrophobicContact CD1-CZ 3.96Å; L262-L293 HydrophobicContact CD1-CD2 4.41Å; L262-L293 HydrophobicContact CD2-CD2 4.44Å; L262-W305 HydrophobicContact CD2-CD2 3.6Å; L262-W305 HydrophobicContact CD2-CE3 3.74Å; L262-W305 HydrophobicContact CD2-CG 4.19Å; L262-W305 HydrophobicContact CD2-CH2 3.81Å; L262-W305 HydrophobicContact CD2-CZ2 3.72Å; L262-W305 HydrophobicContact CD2-CZ3 3.84Å
263W94.1Very high88.3Confident4 Ų439.1 Ų39.12%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-122143.9173.6-58.7-92.5000111.4V207 F222 L227 M251 V252 V254 I261 N272 E273V207-W263 HydrophobicContact CG1-CZ3 4.46Å; F222-W263 HydrophobicContact CZ-CB 4.24Å; F222-W263 HydrophobicContact CZ-CD2 4.25Å; F222-W263 HydrophobicContact CZ-CG 4Å; L227-W263 HydrophobicContact CD2-CH2 4.48Å; M251-W263 VanDerWaalsContact CA-O 3.31Å; M251-W263 WeakPolarHBondContact CA-O 3.44Å; V252-W263 HydrophobicContact CG1-CB 4.25Å; V252-W263 HydrophobicContact CG1-CE3 4.25Å; V252-W263 PolarHBondContact N-O 3.49Å; V252-W263 PolarHBondContact O-N 3.34Å; V254-W263 HydrophobicContact CB-CZ3 4.41Å; V254-W263 HydrophobicContact CG1-CZ3 4.13Å; V254-W263 HydrophobicContact CG2-CH2 3.77Å; V254-W263 HydrophobicContact CG2-CZ3 3.65Å; I261-W263 HydrophobicContact CB-CH2 3.68Å; I261-W263 HydrophobicContact CB-CZ2 3.99Å; I261-W263 HydrophobicContact CB-CZ3 4.03Å; I261-W263 HydrophobicContact CD1-CH2 4.25Å; I261-W263 HydrophobicContact CD1-CZ2 4.41Å; I261-W263 HydrophobicContact CG2-CD2 4.17Å; I261-W263 HydrophobicContact CG2-CE3 4.33Å; I261-W263 HydrophobicContact CG2-CH2 3.6Å; I261-W263 HydrophobicContact CG2-CZ2 3.36Å; I261-W263 HydrophobicContact CG2-CZ3 4.07Å; W263-N272 CarbonylContact C-O 3.55Å; W263-N272 WeakPolarHBondContact CA-O 3.46Å; W263-E273 VanDerWaalsContact CD1-CA 3.42Å
264S91.5Very high88.1Confident9 Ų941.7 Ų41.76%0.06324%0.242CC..EExtended strand (participates in β ladder)trans-90.213115852.60000109.9K250 G271 N272K250-S264 CarbonylContact O-C 3.46Å; K250-S264 VanDerWaalsContact O-CA 3.31Å; K250-S264 WeakPolarHBondContact O-CA 3.42Å; S264-G271 CarbonylContact O-C 3.44Å; S264-G271 VanDerWaalsContact O-CA 3.3Å; S264-G271 WeakPolarHBondContact O-CA 3.44Å; S264-N272 PolarHBondContact N-O 2.13Å; S264-N272 PolarHBondContact O-N 3.46Å
265I90.1Very high87.9Confident3 Ų342.4 Ų42.42%0.01525%0.25CC..EExtended strand (participates in β ladder)trans-87.2119.9173.8-57.6169.6000107.8W198 C209 V221 F222 K250 V252W198-I265 HydrophobicContact CH2-CG2 4.07Å; W198-I265 HydrophobicContact CZ3-CD1 3.99Å; W198-I265 HydrophobicContact CZ3-CG2 4.21Å; C209-I265 HydrophobicContact CB-CD1 3.81Å; V221-I265 HydrophobicContact CG1-CG2 3.95Å; F222-I265 HydrophobicContact CB-CD1 4.12Å; F222-I265 HydrophobicContact CB-CG1 3.99Å; F222-I265 HydrophobicContact CB-CG2 3.93Å; F222-I265 HydrophobicContact CD1-CD1 4.22Å; F222-I265 HydrophobicContact CD1-CG1 4.05Å; F222-I265 HydrophobicContact CG-CD1 4.42Å; F222-I265 HydrophobicContact CG-CG1 4.01Å; K250-I265 HydrophobicContact CB-CB 3.99Å; K250-I265 PolarHBondContact O-N 2.82Å; V252-I265 HydrophobicContact CB-CD1 4.34Å; V252-I265 HydrophobicContact CG1-CD1 4.02Å; V252-I265 HydrophobicContact CG1-CG1 4.14Å
266C83Confident87.9Confident13 Ų1344.8 Ų44.89%0.08826%0.264CS..PPolyproline II helixtrans-87.8157.9-176.7-64.80000111.6N248 D268 G269 N270 N272N248-C266 PolarHBondContact OD1-SG 3.29Å; N248-C266 VanDerWaalsContact OD1-SG 3.36Å; C266-D268 WeakPolarHBondContact CB-OD1 3.33Å; C266-D268 PolarHBondContact O-N 2.89Å; C266-D268 VanDerWaalsContact O-N 3.11Å; C266-G269 PolarHBondContact O-N 2.83Å; C266-G269 VanDerWaalsContact O-N 3.1Å; C266-N270 PolarHBondContact N-O 2.8Å; C266-N272 PolarHBondContact SG-ND2 3.11Å
267P73.8Confident88.1Confident111 Ų11145.9 Ų45.972%0.72127%0.268SS*.THydrogen-bonded Turntrans-62.9-18.1-175.6-25.435.7000115.6D247D247-P267 HydrophobicContact CB-CG 4.24Å
268D72.9Confident88.4Confident110 Ų11043.7 Ų43.759%0.58826%0.256SS*.THydrogen-bonded Turntrans-82.1-10.7177.867-21.8000113.9C266 N270C266-D268 WeakPolarHBondContact CB-OD1 3.33Å; C266-D268 PolarHBondContact O-N 2.89Å; C266-D268 VanDerWaalsContact O-N 3.11Å; D268-N270 PolarHBondContact OD1-N 3.18Å; D268-N270 PolarHBondContact OD2-ND2 3.42Å
269G69.4Low88.5Confident27 Ų2741 Ų4128%0.27824%0.24SC..SBendtrans90.86.1-175.300000114.8V221 C266V221-G269 CarbonylContact O-C 3.51Å; V221-G269 VanDerWaalsContact O-C 3.31Å; V221-G269 WeakPolarHBondContact O-CA 3.06Å; C266-G269 PolarHBondContact O-N 2.83Å; C266-G269 VanDerWaalsContact O-N 3.1Å
270N78.1Confident88.5Confident104 Ų10442.9 Ų42.956%0.55625%0.252SS*.  trans-85.9165.8165.3-71.2-59.8000110.6C266 D268C266-N270 PolarHBondContact N-O 2.8Å; D268-N270 PolarHBondContact OD1-N 3.18Å; D268-N270 PolarHBondContact OD2-ND2 3.42Å
271G83.4Confident88.4Confident26 Ų2644.1 Ų44.127%0.26826%0.26SS..EExtended strand (participates in β ladder)trans-130.5131.117300000111.6S264S264-G271 CarbonylContact O-C 3.44Å; S264-G271 VanDerWaalsContact O-CA 3.3Å; S264-G271 WeakPolarHBondContact O-CA 3.44Å
272N88.6Confident88.2Confident97 Ų9747.6 Ų47.652%0.51928%0.282SS..EExtended strand (participates in β ladder)trans-97.4128.2176.3-76.5-52.9000109.9W263 S264 C266 I274W263-N272 CarbonylContact C-O 3.55Å; W263-N272 WeakPolarHBondContact CA-O 3.46Å; S264-N272 PolarHBondContact N-O 2.13Å; S264-N272 PolarHBondContact O-N 3.46Å; C266-N272 PolarHBondContact SG-ND2 3.11Å; N272-I274 PolarHBondContact O-N 3.32Å
273E91.6Very high88Confident83 Ų8347.9 Ų47.939%0.38829%0.285SS..EExtended strand (participates in β ladder)trans-71114.3174.3-165.1174.5106.100108.9R129 I261 W263R129-E273 IonicContact CZ-OE1 3.29Å; R129-E273 IonicContact CZ-OE2 3.82Å; R129-E273 IonicContact NE-OE1 3.31Å; R129-E273 IonicContact NE-OE2 3.19Å; R129-E273 PolarHBondContact NE-OE2 2.82Å; R129-E273 IonicContact NH2-OE1 3.02Å; R129-E273 PolarHBondContact NH2-OE1 3.2Å; R129-E273 IonicContact NH2-OE2 3.13Å; R129-E273 PolarHBondContact NH2-OE2 2.74Å; R129-E273 VanDerWaalsContact NH2-OE2 3.14Å; I261-E273 HydrophobicContact CG2-CG 4Å; W263-E273 VanDerWaalsContact CD1-CA 3.42Å
274I91.6Very high87.8Confident54 Ų5450.1 Ų50.128%0.27730%0.295SS..EExtended strand (participates in β ladder)trans-75.2-38.3177.4-71.5172.9000109.9M251 L262 N272 W305M251-I274 HydrophobicContact CG-CD1 4.43Å; M251-I274 HydrophobicContact SD-CD1 4.24Å; L262-I274 HydrophobicContact CB-CB 4.45Å; L262-I274 HydrophobicContact CD2-CB 4.18Å; L262-I274 HydrophobicContact CD2-CD1 4.13Å; L262-I274 HydrophobicContact CD2-CG2 3.86Å; L262-I274 HydrophobicContact CG-CB 4.02Å; L262-I274 HydrophobicContact CG-CD1 3.97Å; L262-I274 HydrophobicContact CG-CG2 4.27Å; L262-I274 WeakPolarHBondContact O-CB 3.28Å; L262-I274 PolarHBondContact O-N 2.86Å; N272-I274 PolarHBondContact O-N 3.32Å; I274-W305 HydrophobicContact CD1-CH2 4.2Å; I274-W305 HydrophobicContact CD1-CZ2 4.4Å; I274-W305 HydrophobicContact CG2-CH2 4.41Å; I274-W305 HydrophobicContact CG2-CZ2 3.59Å
275G92.4Very high87.8Confident16 Ų1649.8 Ų49.817%0.16529%0.294CS..EExtended strand (participates in β ladder)trans172170.5177.500000113.8L262L262-G275 PolarHBondContact N-O 2.92Å; L262-G275 VanDerWaalsContact N-O 3.1Å; L262-G275 PolarHBondContact O-N 3.42Å
276V94.9Very high88.1Confident51 Ų5150.2 Ų50.231%0.30930%0.296SS..EExtended strand (participates in β ladder)trans-110.2135.4165.2-171.60000107.7E259 I260 I261E259-V276 HydrophobicContact CB-CG1 4.22Å; E259-V276 HydrophobicContact CG-CG1 4.15Å; I260-V276 CarbonylContact O-C 3.5Å; I260-V276 WeakPolarHBondContact O-CA 3.36Å; I261-V276 HydrophobicContact CG1-CG1 4.3Å; I261-V276 HydrophobicContact CG1-CG2 4.32Å; I261-V276 HydrophobicContact CG2-CG2 4.45Å
277F95.5Very high88.6Confident33 Ų3351 Ų5115%0.14530%0.298CS..EExtended strand (participates in β ladder)trans-130.5171.7179.4-46.3-64.2000110.1I260 L262 W305 W312I260-F277 HydrophobicContact CB-CB 4.41Å; I260-F277 PolarHBondContact N-O 2.95Å; I260-F277 PolarHBondContact O-N 2.83Å; L262-F277 HydrophobicContact CB-CE2 3.94Å; L262-F277 HydrophobicContact CD2-CE2 4Å; F277-W305 AromaticContact CE2-CD1 3.78Å; F277-W305 HydrophobicContact CE2-CG 4.35Å; F277-W305 AromaticContact CZ-CD1 3.49Å; F277-W305 VanDerWaalsContact CZ-CD1 3.49Å; F277-W305 HydrophobicContact CZ-CG 4.45Å; F277-W305 AromaticContact CZ-NE1 3.58Å; F277-W312 HydrophobicContact CB-CB 4.46Å; F277-W312 HydrophobicContact CB-CD2 3.46Å; F277-W312 VanDerWaalsContact CB-CD2 3.46Å; F277-W312 HydrophobicContact CB-CE3 3.67Å; F277-W312 HydrophobicContact CB-CG 3.79Å; F277-W312 HydrophobicContact CB-CZ2 4.29Å; F277-W312 HydrophobicContact CB-CZ3 4.21Å; F277-W312 HydrophobicContact CD1-CB 3.52Å; F277-W312 HydrophobicContact CD1-CD2 4.11Å; F277-W312 HydrophobicContact CD1-CE3 4.22Å; F277-W312 AromaticContact CD1-CG 3.8Å; F277-W312 HydrophobicContact CD1-CG 3.8Å; F277-W312 HydrophobicContact CD2-CD2 4.31Å; F277-W312 AromaticContact CD2-CE3 3.72Å; F277-W312 HydrophobicContact CD2-CE3 3.72Å; F277-W312 HydrophobicContact CD2-CZ3 4.21Å; F277-W312 HydrophobicContact CE1-CB 3.96Å; F277-W312 HydrophobicContact CE2-CE3 4.43Å; F277-W312 HydrophobicContact CG-CB 4.07Å; F277-W312 AromaticContact CG-CD2 3.71Å; F277-W312 HydrophobicContact CG-CD2 3.71Å; F277-W312 AromaticContact CG-CE3 3.59Å; F277-W312 HydrophobicContact CG-CE3 3.59Å; F277-W312 AromaticContact CG-CG 3.9Å; F277-W312 HydrophobicContact CG-CG 3.9Å; F277-W312 HydrophobicContact CG-CZ3 4.36Å
278S94.6Very high89.5Confident29 Ų2947.2 Ų47.220%0.20327%0.27CS..EExtended strand (participates in β ladder)trans-154.1145174.3-170.10000111.8T258 N280 W312 N314T258-S278 WeakPolarHBondContact O-CA 3.25Å; T258-S278 VanDerWaalsContact O-CB 3.26Å; T258-S278 WeakPolarHBondContact O-CB 3.48Å; T258-S278 PolarHBondContact O-OG 2.77Å; S278-N280 VanDerWaalsContact C-N 3.26Å; S278-N280 PolarHBondContact OG-N 2.83Å; S278-W312 PolarHBondContact O-NE1 2.99Å; S278-N314 PolarHBondContact O-ND2 2.8Å; S278-N314 PolarHBondContact O-OD1 2.82Å
279L91.9Very high90.3Very high1 Ų142.4 Ų42.41%0.00525%0.245CC..  trans-79.5-8.1164.9-65.3174.7000112.7I260 V281 A283 A295 K301 G303 W312I260-L279 HydrophobicContact CD1-CG 4.12Å; L279-V281 HydrophobicContact CB-CG2 3.65Å; L279-V281 HydrophobicContact CD1-CG2 4.31Å; L279-V281 PolarHBondContact O-N 2.93Å; L279-A283 HydrophobicContact CD1-CB 3.79Å; L279-A295 HydrophobicContact CD1-CB 3.94Å; L279-A295 HydrophobicContact CD2-CB 4.19Å; L279-A295 HydrophobicContact CG-CB 4.2Å; L279-K301 HydrophobicContact CD2-CB 4.48Å; L279-G303 VanDerWaalsContact CD2-CA 3.46Å; L279-G303 VanDerWaalsContact CD2-N 3.27Å; L279-W312 HydrophobicContact CD2-CZ2 4.01Å; L279-W312 HydrophobicContact CG-CZ2 4.49Å
280N93.3Very high91.1Very high126 Ų12643.4 Ų43.467%0.67425%0.254SS*.SBendtrans61.98.1-161.7-51.4-47.4000114.6S278S278-N280 VanDerWaalsContact C-N 3.26Å; S278-N280 PolarHBondContact OG-N 2.83Å
281V93.3Very high91.4Very high28 Ų2839.5 Ų39.517%0.1723%0.234CC..SBendtrans-141.5163.7175.2-64.60000108.9L279 T299 K301L279-V281 HydrophobicContact CB-CG2 3.65Å; L279-V281 HydrophobicContact CD1-CG2 4.31Å; L279-V281 PolarHBondContact O-N 2.93Å; V281-T299 HydrophobicContact CB-CG2 4.48Å; V281-T299 HydrophobicContact CG1-CG2 4.3Å; V281-K301 HydrophobicContact CG1-CG 4.41Å; V281-K301 HydrophobicContact CG2-CB 3.86Å; V281-K301 HydrophobicContact CG2-CG 3.69Å
282P91.7Very high91.6Very high74 Ų7439.1 Ų39.148%0.48123%0.225SC..  trans-60.9136.3174.6-24.435.7000112.7V257 S297V257-P282 WeakPolarHBondContact O-CA 3.32Å; P282-S297 WeakPolarHBondContact O-CB 2.97Å; P282-S297 PolarHBondContact O-OG 2.78Å
283A91.9Very high91.9Very high7 Ų734.5 Ų34.56%0.05820%0.2CC..  trans-89114.1177.300000110.5R233 A255 I260 L279 A295R233-A283 WeakPolarHBondContact CG-O 3.34Å; A255-A283 HydrophobicContact CB-CB 3.86Å; I260-A283 HydrophobicContact CD1-CB 4.19Å; I260-A283 HydrophobicContact CG1-CB 4.39Å; L279-A283 HydrophobicContact CD1-CB 3.79Å; A283-A295 HydrophobicContact CB-CB 4.27Å
284E89.4Confident92Very high50 Ų5030.5 Ų30.523%0.23418%0.182CC..SBendtrans-95.8-23.7-176.2-62.3-170.8110.500112.8R233 T296 H298R233-E284 WeakPolarHBondContact CD-O 3.5Å; R233-E284 PolarHBondContact NE-O 3.09Å; R233-E284 VanDerWaalsContact NE-O 3.08Å; R233-E284 PolarHBondContact NH1-O 3.07Å; E284-T296 PolarHBondContact N-O 3.07Å; E284-H298 VanDerWaalsContact CD-CD2 3.43Å; E284-H298 IonicContact OE1-CD2 2.69Å; E284-H298 PolarHBondContact OE1-CD2 3.12Å; E284-H298 WeakPolarHBondContact OE2-CB 3.23Å; E284-H298 IonicContact OE2-CD2 2.87Å; E284-H298 PolarHBondContact OE2-CD2 3.42Å; E284-H298 IonicContact OE2-CG 2.83Å; E284-H298 VanDerWaalsContact OE2-CG 3.29Å; E284-H298 PolarHBondContact OE2-N 3.12Å
285A92.6Very high92.2Very high3 Ų328 Ų283%0.02517%0.169CC..EExtended strand (participates in β ladder)trans-122.4144.6161.800000110.1F287 A295 T296 Y323A285-F287 HydrophobicContact CB-CD1 3.93Å; A285-F287 HydrophobicContact CB-CE1 3.76Å; A285-A295 VanDerWaalsContact O-CA 3.24Å; A285-A295 WeakPolarHBondContact O-CA 3.27Å; A285-T296 WeakPolarHBondContact CB-OG1 3.18Å; A285-T296 PolarHBondContact N-O 2.95Å; A285-T296 PolarHBondContact O-N 2.79Å; A285-T296 VanDerWaalsContact O-N 3.08Å; A285-Y323 HydrophobicContact CB-CD1 4.31Å; A285-Y323 HydrophobicContact CB-CE1 3.47Å; A285-Y323 VanDerWaalsContact CB-CE1 3.47Å; A285-Y323 HydrophobicContact CB-CE2 4.42Å; A285-Y323 WeakPolarHBondContact CB-OH 3.29Å
286L95.4Very high92.3Very high12 Ų1227.4 Ų27.46%0.06316%0.162CC..EExtended strand (participates in β ladder)trans-142.9118.9171.8-170.272.5000107R233 A235 A253 A255 I260 L293 I294 A295R233-L286 HydrophobicContact CB-CB 3.77Å; R233-L286 HydrophobicContact CB-CD2 4.42Å; A235-L286 HydrophobicContact CB-CB 4.47Å; A235-L286 HydrophobicContact CB-CD2 4.19Å; A235-L286 HydrophobicContact CB-CG 3.89Å; A253-L286 HydrophobicContact CB-CD2 3.97Å; A255-L286 HydrophobicContact CB-CD2 4.18Å; I260-L286 HydrophobicContact CD1-CD1 4.47Å; I260-L286 HydrophobicContact CG2-CD1 3.87Å; L286-L293 HydrophobicContact CD1-CD1 3.95Å; L286-L293 HydrophobicContact CD1-CD2 4.28Å; L286-L293 HydrophobicContact CD1-CG 4.22Å; L286-L293 HydrophobicContact CG-CD1 4.14Å; L286-I294 WeakPolarHBondContact CA-O 3.19Å; L286-A295 HydrophobicContact CD1-CB 3.85Å
287F95.1Very high92.2Very high29 Ų2925.1 Ų25.113%0.12715%0.148CC..EExtended strand (participates in β ladder)trans-159.4167.1-176.755.8-86.8000111.3A285 V289 I294 Y323 T325 L330A285-F287 HydrophobicContact CB-CD1 3.93Å; A285-F287 HydrophobicContact CB-CE1 3.76Å; F287-V289 HydrophobicContact CD2-CG2 3.98Å; F287-V289 HydrophobicContact CE2-CG2 3.75Å; F287-I294 HydrophobicContact CD2-CB 4.12Å; F287-I294 HydrophobicContact CD2-CG1 4.39Å; F287-I294 HydrophobicContact CE1-CB 4.39Å; F287-I294 HydrophobicContact CE1-CG2 4.15Å; F287-I294 HydrophobicContact CE2-CB 3.79Å; F287-I294 HydrophobicContact CE2-CG1 4.03Å; F287-I294 HydrophobicContact CE2-CG2 3.94Å; F287-I294 HydrophobicContact CZ-CB 3.94Å; F287-I294 HydrophobicContact CZ-CG2 3.63Å; F287-I294 PolarHBondContact N-O 2.8Å; F287-I294 PolarHBondContact O-N 3.23Å; F287-Y323 AromaticContact CD1-CE2 3.79Å; F287-Y323 HydrophobicContact CD1-CE2 3.79Å; F287-Y323 AromaticContact CE1-CD2 3.7Å; F287-Y323 HydrophobicContact CE1-CD2 3.7Å; F287-Y323 AromaticContact CE1-CE2 3.33Å; F287-Y323 HydrophobicContact CE1-CE2 3.33Å; F287-Y323 HydrophobicContact CE1-CG 4.46Å; F287-Y323 AromaticContact CE1-CZ 3.83Å; F287-Y323 HydrophobicContact CE2-CE2 4.48Å; F287-Y323 AromaticContact CZ-CD2 3.69Å; F287-Y323 HydrophobicContact CZ-CD2 3.69Å; F287-Y323 AromaticContact CZ-CE2 3.73Å; F287-Y323 HydrophobicContact CZ-CE2 3.73Å; F287-T325 HydrophobicContact CD2-CG2 4.23Å; F287-T325 HydrophobicContact CE2-CG2 3.65Å; F287-T325 HydrophobicContact CZ-CG2 4.46Å; F287-L330 HydrophobicContact CE2-CD1 4.1Å; F287-L330 HydrophobicContact CZ-CD1 3.73Å
288F92.8Very high92Very high32 Ų3228.7 Ų28.714%0.1417%0.165CC..EExtended strand (participates in β ladder)trans-104.6140.9175.8-72.6-90.8000111.7A235 N237 M251 L262 Q292 L293A235-F288 HydrophobicContact CB-CD2 3.83Å; A235-F288 HydrophobicContact CB-CE2 3.78Å; N237-F288 HydrophobicContact CB-CB 4.17Å; N237-F288 HydrophobicContact CB-CD1 3.95Å; N237-F288 HydrophobicContact CB-CD2 3.59Å; N237-F288 HydrophobicContact CB-CE1 4.17Å; N237-F288 HydrophobicContact CB-CE2 3.83Å; N237-F288 HydrophobicContact CB-CG 3.65Å; N237-F288 HydrophobicContact CB-CZ 4.11Å; M251-F288 HydrophobicContact CB-CE1 4.22Å; M251-F288 HydrophobicContact CB-CZ 3.79Å; M251-F288 HydrophobicContact CE-CD1 4.29Å; M251-F288 HydrophobicContact CE-CE1 3.73Å; M251-F288 HydrophobicContact CE-CZ 4.44Å; M251-F288 HydrophobicContact SD-CE1 4.38Å; L262-F288 HydrophobicContact CD1-CE1 4.48Å; L262-F288 HydrophobicContact CD1-CZ 3.96Å; F288-Q292 CarbonylContact C-O 3.54Å; F288-Q292 VanDerWaalsContact CA-O 3.24Å; F288-Q292 WeakPolarHBondContact CA-O 3.36Å; F288-Q292 WeakPolarHBondContact CD1-O 3.47Å; F288-L293 HydrophobicContact CD1-CB 4.02Å; F288-L293 HydrophobicContact CD1-CD1 4.22Å; F288-L293 HydrophobicContact CD2-CD1 4.11Å; F288-L293 HydrophobicContact CE1-CB 3.73Å; F288-L293 HydrophobicContact CE1-CD1 3.95Å; F288-L293 HydrophobicContact CE1-CG 4.41Å; F288-L293 HydrophobicContact CE2-CD1 3.83Å; F288-L293 HydrophobicContact CG-CD1 4.3Å; F288-L293 HydrophobicContact CZ-CB 4.31Å; F288-L293 HydrophobicContact CZ-CD1 3.75Å
289V89.3Confident92Very high9 Ų930.2 Ų30.26%0.05517%0.173CC..EExtended strand (participates in β ladder)trans-116.8101.3169.2177.40000107.7F287 N291 Q292 I294 T325 V344F287-V289 HydrophobicContact CD2-CG2 3.98Å; F287-V289 HydrophobicContact CE2-CG2 3.75Å; V289-N291 PolarHBondContact O-N 2.88Å; V289-N291 VanDerWaalsContact O-N 3.17Å; V289-Q292 PolarHBondContact N-O 2.91Å; V289-Q292 WeakPolarHBondContact O-CB 3.19Å; V289-Q292 PolarHBondContact O-N 2.81Å; V289-Q292 VanDerWaalsContact O-N 3.07Å; V289-I294 HydrophobicContact CB-CG1 4.2Å; V289-I294 HydrophobicContact CG2-CG1 3.75Å; V289-T325 HydrophobicContact CG2-CG2 3.81Å; V289-V344 HydrophobicContact CG1-CB 4.19Å; V289-V344 HydrophobicContact CG1-CG2 4.21Å
290G85.1Confident91.9Very high47 Ų4730.2 Ų30.249%0.48517%0.173SC..THydrogen-bonded Turntrans59-117.1-16400000110.1N237N237-G290 PolarHBondContact ND2-O 2.94Å
291N84.2Confident91.9Very high23 Ų2326.3 Ų26.312%0.12315%0.15CC..THydrogen-bonded Turntrans-91.7-14.3178.2-55.2-17.3000113.2V240 M241 V289 A307V240-N291 WeakPolarHBondContact CA-OD1 3.49Å; M241-N291 PolarHBondContact N-OD1 2.85Å; M241-N291 PolarHBondContact O-ND2 2.93Å; V289-N291 PolarHBondContact O-N 2.88Å; V289-N291 VanDerWaalsContact O-N 3.17Å; N291-A307 HydrophobicContact CB-CB 3.7Å; N291-A307 WeakPolarHBondContact O-CB 3.41Å
292Q88.9Confident91.9Very high17 Ų1725 Ų258%0.07914%0.142CC..EExtended strand (participates in β ladder)trans-80.1133.5-171.9-46.2-75.364.300109.7F288 V289 I294 W305 N306 V344F288-Q292 CarbonylContact C-O 3.54Å; F288-Q292 VanDerWaalsContact CA-O 3.24Å; F288-Q292 WeakPolarHBondContact CA-O 3.36Å; F288-Q292 WeakPolarHBondContact CD1-O 3.47Å; V289-Q292 PolarHBondContact N-O 2.91Å; V289-Q292 WeakPolarHBondContact O-CB 3.19Å; V289-Q292 PolarHBondContact O-N 2.81Å; V289-Q292 VanDerWaalsContact O-N 3.07Å; Q292-I294 HydrophobicContact CB-CD1 4.42Å; Q292-W305 WeakPolarHBondContact CA-O 3.2Å; Q292-N306 PolarHBondContact NE2-ND2 2.96Å; Q292-V344 HydrophobicContact CB-CG1 3.73Å; Q292-V344 HydrophobicContact CG-CG1 3.76Å; Q292-V344 PolarHBondContact NE2-O 3.03Å
293L93.9Very high91.9Very high0 Ų021.4 Ų21.40%012%0.119CC..EExtended strand (participates in β ladder)trans-89.3130.9172177.872.7000108.9A235 A253 I260 L262 L286 F288 V304 W305 W312A235-L293 HydrophobicContact CB-CD1 3.99Å; A253-L293 HydrophobicContact CB-CD1 3.72Å; A253-L293 HydrophobicContact CB-CD2 3.63Å; A253-L293 HydrophobicContact CB-CG 4.36Å; I260-L293 HydrophobicContact CG2-CD2 4.09Å; L262-L293 HydrophobicContact CD1-CD2 4.41Å; L262-L293 HydrophobicContact CD2-CD2 4.44Å; L286-L293 HydrophobicContact CD1-CD1 3.95Å; L286-L293 HydrophobicContact CD1-CD2 4.28Å; L286-L293 HydrophobicContact CD1-CG 4.22Å; L286-L293 HydrophobicContact CG-CD1 4.14Å; F288-L293 HydrophobicContact CD1-CB 4.02Å; F288-L293 HydrophobicContact CD1-CD1 4.22Å; F288-L293 HydrophobicContact CD2-CD1 4.11Å; F288-L293 HydrophobicContact CE1-CB 3.73Å; F288-L293 HydrophobicContact CE1-CD1 3.95Å; F288-L293 HydrophobicContact CE1-CG 4.41Å; F288-L293 HydrophobicContact CE2-CD1 3.83Å; F288-L293 HydrophobicContact CG-CD1 4.3Å; F288-L293 HydrophobicContact CZ-CB 4.31Å; F288-L293 HydrophobicContact CZ-CD1 3.75Å; L293-V304 WeakPolarHBondContact O-CA 3.41Å; L293-W305 HydrophobicContact CB-CB 3.88Å; L293-W305 HydrophobicContact CB-CE3 4.27Å; L293-W305 PolarHBondContact N-O 2.9Å; L293-W305 PolarHBondContact O-N 3.13Å; L293-W312 HydrophobicContact CD2-CZ3 4.37Å
294I94.5Very high91.9Very high0 Ų021.2 Ų21.20%012%0.117CC..EExtended strand (participates in β ladder)trans-115.8136.4179.2-49.7-58.7000109.1L286 F287 V289 Q292 T296 G303 V304 L330 V344L286-I294 WeakPolarHBondContact CA-O 3.19Å; F287-I294 HydrophobicContact CD2-CB 4.12Å; F287-I294 HydrophobicContact CD2-CG1 4.39Å; F287-I294 HydrophobicContact CE1-CB 4.39Å; F287-I294 HydrophobicContact CE1-CG2 4.15Å; F287-I294 HydrophobicContact CE2-CB 3.79Å; F287-I294 HydrophobicContact CE2-CG1 4.03Å; F287-I294 HydrophobicContact CE2-CG2 3.94Å; F287-I294 HydrophobicContact CZ-CB 3.94Å; F287-I294 HydrophobicContact CZ-CG2 3.63Å; F287-I294 PolarHBondContact N-O 2.8Å; F287-I294 PolarHBondContact O-N 3.23Å; V289-I294 HydrophobicContact CB-CG1 4.2Å; V289-I294 HydrophobicContact CG2-CG1 3.75Å; Q292-I294 HydrophobicContact CB-CD1 4.42Å; I294-T296 HydrophobicContact CG2-CG2 4.15Å; I294-G303 WeakPolarHBondContact CA-O 3.42Å; I294-V304 HydrophobicContact CD1-CB 4.29Å; I294-V304 HydrophobicContact CD1-CG1 3.91Å; I294-V304 HydrophobicContact CD1-CG2 3.85Å; I294-L330 HydrophobicContact CG2-CD2 3.88Å; I294-V344 HydrophobicContact CD1-CG1 3.57Å; I294-V344 HydrophobicContact CD1-CG2 4.38Å
295A95.5Very high92.1Very high0 Ų018.9 Ų18.90%011%0.106CC..EExtended strand (participates in β ladder)trans-128.2143165.100000110.3I260 L279 A283 A285 L286 G303 W312I260-A295 HydrophobicContact CD1-CB 3.52Å; L279-A295 HydrophobicContact CD1-CB 3.94Å; L279-A295 HydrophobicContact CD2-CB 4.19Å; L279-A295 HydrophobicContact CG-CB 4.2Å; A283-A295 HydrophobicContact CB-CB 4.27Å; A285-A295 VanDerWaalsContact O-CA 3.24Å; A285-A295 WeakPolarHBondContact O-CA 3.27Å; L286-A295 HydrophobicContact CD1-CB 3.85Å; A295-G303 PolarHBondContact N-O 2.97Å; A295-G303 PolarHBondContact O-N 3.28Å; A295-W312 HydrophobicContact CB-CH2 3.96Å
296T94.4Very high91.7Very high4 Ų419 Ų193%0.02511%0.107CC..EExtended strand (participates in β ladder)trans-135.7162176.269.20000111.7E284 A285 I294 K301 V302 I320E284-T296 PolarHBondContact N-O 3.07Å; A285-T296 WeakPolarHBondContact CB-OG1 3.18Å; A285-T296 PolarHBondContact N-O 2.95Å; A285-T296 PolarHBondContact O-N 2.79Å; A285-T296 VanDerWaalsContact O-N 3.08Å; I294-T296 HydrophobicContact CG2-CG2 4.15Å; T296-K301 WeakPolarHBondContact CA-O 3.46Å; T296-V302 HydrophobicContact CG2-CG1 4.46Å; T296-V302 HydrophobicContact CG2-CG2 4.27Å; T296-I320 HydrophobicContact CG2-CD1 4.24Å
297S93.6Very high91.2Very high3 Ų318.5 Ų18.52%0.02110%0.104CC..EExtended strand (participates in β ladder)trans-146.2144.6178.5-170.60000110.3P282 T299 G300 K301P282-S297 WeakPolarHBondContact O-CB 2.97Å; P282-S297 PolarHBondContact O-OG 2.78Å; S297-T299 PolarHBondContact O-N 2.55Å; S297-G300 PolarHBondContact O-N 2.99Å; S297-G300 VanDerWaalsContact O-N 3.12Å; S297-K301 PolarHBondContact N-O 3.07Å; S297-K301 VanDerWaalsContact N-O 3.12Å
298H91.4Very high90.4Very high108 Ų10821.8 Ų21.850%0.513%0.126SC..THydrogen-bonded Turntrans-56.2-21.2178.47058000113E284 G300 P319 I320E284-H298 VanDerWaalsContact CD-CD2 3.43Å; E284-H298 IonicContact OE1-CD2 2.69Å; E284-H298 PolarHBondContact OE1-CD2 3.12Å; E284-H298 WeakPolarHBondContact OE2-CB 3.23Å; E284-H298 IonicContact OE2-CD2 2.87Å; E284-H298 PolarHBondContact OE2-CD2 3.42Å; E284-H298 IonicContact OE2-CG 2.83Å; E284-H298 VanDerWaalsContact OE2-CG 3.29Å; E284-H298 PolarHBondContact OE2-N 3.12Å; H298-G300 PolarHBondContact O-N 3.44Å; H298-P319 WeakPolarHBondContact O-CA 3.45Å; H298-P319 VanDerWaalsContact O-CB 3.28Å; H298-P319 WeakPolarHBondContact O-CB 3.33Å; H298-I320 WeakPolarHBondContact CA-O 3.41Å; H298-I320 PolarHBondContact O-N 2.68Å
299T93.3Very high89.9Confident62 Ų6224 Ų2438%0.3814%0.143SC..THydrogen-bonded Turntrans-67.4-2.7179700000114.1V281 S297V281-T299 HydrophobicContact CB-CG2 4.48Å; V281-T299 HydrophobicContact CG1-CG2 4.3Å; S297-T299 PolarHBondContact O-N 2.55Å
300G91.1Very high89.7Confident0 Ų028 Ų280%016%0.159CC..THydrogen-bonded Turntrans86.829.7-175.900000113.3S297 H298 V317S297-G300 PolarHBondContact O-N 2.99Å; S297-G300 VanDerWaalsContact O-N 3.12Å; H298-G300 PolarHBondContact O-N 3.44Å; G300-V317 WeakPolarHBondContact CA-O 3.42Å; G300-V317 WeakPolarHBondContact O-CG2 3.32Å; G300-V317 PolarHBondContact O-N 3.16Å
301K92.5Very high89.6Confident44 Ų4430.9 Ų30.919%0.19116%0.16CC..EExtended strand (participates in β ladder)trans-106132.5173.1-65.7-61-163.3-168.60110.8L279 V281 T296 S297 D316L279-K301 HydrophobicContact CD2-CB 4.48Å; V281-K301 HydrophobicContact CG1-CG 4.41Å; V281-K301 HydrophobicContact CG2-CB 3.86Å; V281-K301 HydrophobicContact CG2-CG 3.69Å; T296-K301 WeakPolarHBondContact CA-O 3.46Å; S297-K301 PolarHBondContact N-O 3.07Å; S297-K301 VanDerWaalsContact N-O 3.12Å; K301-D316 WeakPolarHBondContact CE-OD1 3.28Å; K301-D316 IonicContact NZ-OD1 3.39Å; K301-D316 PolarHBondContact NZ-OD1 3.09Å; K301-D316 IonicContact NZ-OD2 2.84Å; K301-D316 PolarHBondContact NZ-OD2 3.1Å
302V93.3Very high90Very high0 Ų031.4 Ų31.40%016%0.16CC..EExtended strand (participates in β ladder)trans-119.5129.4166.5-179.40000108.4T296 V304 N314 Q315 V317 I320 L330 L332 L356T296-V302 HydrophobicContact CG2-CG1 4.46Å; T296-V302 HydrophobicContact CG2-CG2 4.27Å; V302-V304 HydrophobicContact CG1-CG2 4.1Å; V302-N314 CarbonylContact O-C 3.57Å; V302-N314 WeakPolarHBondContact O-CA 3.24Å; V302-Q315 PolarHBondContact N-O 2.79Å; V302-Q315 PolarHBondContact O-N 3.06Å; V302-V317 HydrophobicContact CG2-CG1 4.22Å; V302-V317 HydrophobicContact CG2-CG2 3.77Å; V302-I320 HydrophobicContact CG2-CD1 3.73Å; V302-L330 HydrophobicContact CG1-CD2 4.25Å; V302-L332 HydrophobicContact CG2-CD1 3.91Å; V302-L356 HydrophobicContact CG1-CD1 4.44Å
303G92.4Very high89.9Confident0 Ų031.7 Ų31.70%016%0.162CC..EExtended strand (participates in β ladder)trans-114.3132.617300000110.2L279 I294 A295 Q313L279-G303 VanDerWaalsContact CD2-CA 3.46Å; L279-G303 VanDerWaalsContact CD2-N 3.27Å; I294-G303 WeakPolarHBondContact CA-O 3.42Å; A295-G303 PolarHBondContact N-O 2.97Å; A295-G303 PolarHBondContact O-N 3.28Å; G303-Q313 CarbonylContact C-O 3.51Å; G303-Q313 WeakPolarHBondContact CA-O 3.46Å
304V91.9Very high89.7Confident2 Ų234.3 Ų34.31%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-127.2120.7178.7-176.90000109.4L293 I294 V302 Q313 V344 F347 L356L293-V304 WeakPolarHBondContact O-CA 3.41Å; I294-V304 HydrophobicContact CD1-CB 4.29Å; I294-V304 HydrophobicContact CD1-CG1 3.91Å; I294-V304 HydrophobicContact CD1-CG2 3.85Å; V302-V304 HydrophobicContact CG1-CG2 4.1Å; V304-Q313 PolarHBondContact N-O 2.55Å; V304-Q313 PolarHBondContact O-N 2.84Å; V304-V344 HydrophobicContact CG1-CG1 4.04Å; V304-F347 HydrophobicContact CB-CD2 4.36Å; V304-F347 HydrophobicContact CB-CE2 3.76Å; V304-F347 HydrophobicContact CG1-CD2 3.78Å; V304-F347 HydrophobicContact CG1-CE2 3.59Å; V304-F347 HydrophobicContact CG1-CZ 4.38Å; V304-L356 HydrophobicContact CG2-CD1 3.91Å
305W92Very high89.3Confident1 Ų135.6 Ų35.60%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-89.9125162.8-17469.2000109.8M251 L262 I274 F277 Q292 L293 A307 K310 H311 W312M251-W305 HydrophobicContact CE-CZ3 4.11Å; M251-W305 HydrophobicContact SD-CH2 3.73Å; M251-W305 HydrophobicContact SD-CZ3 3.57Å; M251-W305 VanDerWaalsContact SD-CZ3 3.57Å; L262-W305 HydrophobicContact CD2-CD2 3.6Å; L262-W305 HydrophobicContact CD2-CE3 3.74Å; L262-W305 HydrophobicContact CD2-CG 4.19Å; L262-W305 HydrophobicContact CD2-CH2 3.81Å; L262-W305 HydrophobicContact CD2-CZ2 3.72Å; L262-W305 HydrophobicContact CD2-CZ3 3.84Å; I274-W305 HydrophobicContact CD1-CH2 4.2Å; I274-W305 HydrophobicContact CD1-CZ2 4.4Å; I274-W305 HydrophobicContact CG2-CH2 4.41Å; I274-W305 HydrophobicContact CG2-CZ2 3.59Å; F277-W305 AromaticContact CE2-CD1 3.78Å; F277-W305 HydrophobicContact CE2-CG 4.35Å; F277-W305 AromaticContact CZ-CD1 3.49Å; F277-W305 VanDerWaalsContact CZ-CD1 3.49Å; F277-W305 HydrophobicContact CZ-CG 4.45Å; F277-W305 AromaticContact CZ-NE1 3.58Å; Q292-W305 WeakPolarHBondContact CA-O 3.2Å; L293-W305 HydrophobicContact CB-CB 3.88Å; L293-W305 HydrophobicContact CB-CE3 4.27Å; L293-W305 PolarHBondContact N-O 2.9Å; L293-W305 PolarHBondContact O-N 3.13Å; W305-A307 HydrophobicContact CE3-CB 4.14Å; W305-A307 HydrophobicContact CH2-CB 4.03Å; W305-A307 HydrophobicContact CZ3-CB 3.56Å; W305-K310 HydrophobicContact CH2-CD 4.33Å; W305-K310 HydrophobicContact CZ2-CD 3.59Å; W305-H311 WeakPolarHBondContact CA-O 3.48Å; W305-W312 HydrophobicContact CB-CE3 3.68Å; W305-W312 HydrophobicContact CB-CZ3 3.96Å; W305-W312 HydrophobicContact CG-CE3 4.49Å
306N85.7Confident89.1Confident7 Ų740.3 Ų40.34%0.03721%0.207CC..  trans-91.3120.9172.1-174.6-64.5000110.7Q292 V308 T309 K310 H311 F347Q292-N306 PolarHBondContact NE2-ND2 2.96Å; N306-V308 VanDerWaalsContact C-N 3.28Å; N306-V308 PolarHBondContact O-N 2.91Å; N306-V308 WeakPolarHBondContact OD1-CA 3.31Å; N306-V308 WeakPolarHBondContact OD1-CB 3.41Å; N306-V308 PolarHBondContact OD1-N 2.8Å; N306-T309 WeakPolarHBondContact CB-OG1 3.37Å; N306-T309 PolarHBondContact OD1-N 2.6Å; N306-T309 PolarHBondContact OD1-OG1 3.02Å; N306-K310 VanDerWaalsContact O-CA 3.29Å; N306-K310 WeakPolarHBondContact O-CA 3.36Å; N306-K310 PolarHBondContact O-N 2.86Å; N306-H311 PolarHBondContact N-O 2.85Å; N306-F347 HydrophobicContact CB-CD1 3.74Å; N306-F347 HydrophobicContact CB-CE1 3.66Å; N306-F347 HydrophobicContact CB-CZ 4.36Å; N306-F347 WeakPolarHBondContact ND2-CD1 3.34Å
307A83.4Confident88.9Confident1 Ų141.4 Ų41.41%0.00821%0.213CC..THydrogen-bonded Turntrans-67.3-27.7-175.600000113.8L245 N291 W305 K310L245-A307 WeakPolarHBondContact CD1-O 3.2Å; N291-A307 HydrophobicContact CB-CB 3.7Å; N291-A307 WeakPolarHBondContact O-CB 3.41Å; W305-A307 HydrophobicContact CE3-CB 4.14Å; W305-A307 HydrophobicContact CH2-CB 4.03Å; W305-A307 HydrophobicContact CZ3-CB 3.56Å; A307-K310 WeakPolarHBondContact O-CD 3.27Å; A307-K310 VanDerWaalsContact O-CE 3.25Å; A307-K310 WeakPolarHBondContact O-CE 3.44Å; A307-K310 PolarHBondContact O-NZ 3.31Å
308V79.8Confident88.9Confident98 Ų9843.1 Ų43.159%0.59422%0.224SC*.THydrogen-bonded Turntrans-85-50-176.9-174.10000110.7N306N306-V308 VanDerWaalsContact C-N 3.28Å; N306-V308 PolarHBondContact O-N 2.91Å; N306-V308 WeakPolarHBondContact OD1-CA 3.31Å; N306-V308 WeakPolarHBondContact OD1-CB 3.41Å; N306-V308 PolarHBondContact OD1-N 2.8Å
309T81.6Confident89Confident79 Ų7940.3 Ų40.349%0.48522%0.215SC..THydrogen-bonded Turntrans-84.3-9.9-178.268.50000113.6N306 H311N306-T309 WeakPolarHBondContact CB-OG1 3.37Å; N306-T309 PolarHBondContact OD1-N 2.6Å; N306-T309 PolarHBondContact OD1-OG1 3.02Å; T309-H311 PolarHBondContact O-N 2.94Å; T309-H311 VanDerWaalsContact O-N 3.14Å; T309-H311 PolarHBondContact OG1-N 3.22Å
310K84.3Confident89.1Confident92 Ų9238 Ų3840%0.420%0.2SC..  trans59.415-174.6-56.3-58.1-176.8-161.50114.8L245 W305 N306 A307L245-K310 VanDerWaalsContact CG-NZ 3.34Å; W305-K310 HydrophobicContact CH2-CD 4.33Å; W305-K310 HydrophobicContact CZ2-CD 3.59Å; N306-K310 VanDerWaalsContact O-CA 3.29Å; N306-K310 WeakPolarHBondContact O-CA 3.36Å; N306-K310 PolarHBondContact O-N 2.86Å; A307-K310 WeakPolarHBondContact O-CD 3.27Å; A307-K310 VanDerWaalsContact O-CE 3.25Å; A307-K310 WeakPolarHBondContact O-CE 3.44Å; A307-K310 PolarHBondContact O-NZ 3.31Å
311H84.9Confident89.2Confident108 Ų10840 Ų4050%0.521%0.214SC..  trans-88.3147.2-178.7-16658.1000112W305 N306 T309W305-H311 WeakPolarHBondContact CA-O 3.48Å; N306-H311 PolarHBondContact N-O 2.85Å; T309-H311 PolarHBondContact O-N 2.94Å; T309-H311 VanDerWaalsContact O-N 3.14Å; T309-H311 PolarHBondContact OG1-N 3.22Å
312W90.6Very high89.4Confident34 Ų3438.6 Ų38.613%0.12921%0.21CC..EExtended strand (participates in β ladder)trans-111.8123.8170.3176.4-88.6000109I260 F277 S278 L279 L293 A295 W305 N314I260-W312 HydrophobicContact CD1-CH2 3.67Å; I260-W312 HydrophobicContact CD1-CZ2 3.87Å; F277-W312 HydrophobicContact CB-CB 4.46Å; F277-W312 HydrophobicContact CB-CD2 3.46Å; F277-W312 VanDerWaalsContact CB-CD2 3.46Å; F277-W312 HydrophobicContact CB-CE3 3.67Å; F277-W312 HydrophobicContact CB-CG 3.79Å; F277-W312 HydrophobicContact CB-CZ2 4.29Å; F277-W312 HydrophobicContact CB-CZ3 4.21Å; F277-W312 HydrophobicContact CD1-CB 3.52Å; F277-W312 HydrophobicContact CD1-CD2 4.11Å; F277-W312 HydrophobicContact CD1-CE3 4.22Å; F277-W312 AromaticContact CD1-CG 3.8Å; F277-W312 HydrophobicContact CD1-CG 3.8Å; F277-W312 HydrophobicContact CD2-CD2 4.31Å; F277-W312 AromaticContact CD2-CE3 3.72Å; F277-W312 HydrophobicContact CD2-CE3 3.72Å; F277-W312 HydrophobicContact CD2-CZ3 4.21Å; F277-W312 HydrophobicContact CE1-CB 3.96Å; F277-W312 HydrophobicContact CE2-CE3 4.43Å; F277-W312 HydrophobicContact CG-CB 4.07Å; F277-W312 AromaticContact CG-CD2 3.71Å; F277-W312 HydrophobicContact CG-CD2 3.71Å; F277-W312 AromaticContact CG-CE3 3.59Å; F277-W312 HydrophobicContact CG-CE3 3.59Å; F277-W312 AromaticContact CG-CG 3.9Å; F277-W312 HydrophobicContact CG-CG 3.9Å; F277-W312 HydrophobicContact CG-CZ3 4.36Å; S278-W312 PolarHBondContact O-NE1 2.99Å; L279-W312 HydrophobicContact CD2-CZ2 4.01Å; L279-W312 HydrophobicContact CG-CZ2 4.49Å; L293-W312 HydrophobicContact CD2-CZ3 4.37Å; A295-W312 HydrophobicContact CB-CH2 3.96Å; W305-W312 HydrophobicContact CB-CE3 3.68Å; W305-W312 HydrophobicContact CB-CZ3 3.96Å; W305-W312 HydrophobicContact CG-CE3 4.49Å; W312-N314 PolarHBondContact NE1-OD1 3.41Å
313Q86.8Confident89.4Confident23 Ų2343.2 Ų43.211%0.10723%0.228CC..EExtended strand (participates in β ladder)trans-121129.5178.6-176.3170.71.600110.2G303 V304 F347 N354G303-Q313 CarbonylContact C-O 3.51Å; G303-Q313 WeakPolarHBondContact CA-O 3.46Å; V304-Q313 PolarHBondContact N-O 2.55Å; V304-Q313 PolarHBondContact O-N 2.84Å; Q313-F347 HydrophobicContact CB-CE2 4.32Å; Q313-F347 HydrophobicContact CB-CZ 3.85Å; Q313-N354 PolarHBondContact NE2-O 3.25Å
314N89.7Confident89.5Confident54 Ų5444.2 Ų44.229%0.28923%0.233SC..EExtended strand (participates in β ladder)trans-96.5141.6167.7-71.2-26.3000109.5S278 V302 W312S278-N314 PolarHBondContact O-ND2 2.8Å; S278-N314 PolarHBondContact O-OD1 2.82Å; V302-N314 CarbonylContact O-C 3.57Å; V302-N314 WeakPolarHBondContact O-CA 3.24Å; W312-N314 PolarHBondContact NE1-OD1 3.41Å
315Q87.9Confident89.5Confident27 Ų2746.5 Ų46.513%0.12625%0.247CC..EExtended strand (participates in β ladder)trans-129.7136.8176.4-179.966.162.400109.5V302 V317 L356 V358V302-Q315 PolarHBondContact N-O 2.79Å; V302-Q315 PolarHBondContact O-N 3.06Å; Q315-V317 HydrophobicContact CG-CG1 3.96Å; Q315-L356 HydrophobicContact CB-CD1 3.72Å; Q315-L356 HydrophobicContact CB-CG 4.3Å; Q315-L356 HydrophobicContact CG-CB 4.12Å; Q315-L356 HydrophobicContact CG-CD1 4.07Å; Q315-L356 HydrophobicContact CG-CG 4.43Å; Q315-L356 VanDerWaalsContact OE1-N 3.13Å; Q315-V358 HydrophobicContact CG-CG2 4.25Å
316D90.5Very high89.3Confident99 Ų9946.8 Ų46.853%0.52925%0.25SC..EExtended strand (participates in β ladder)trans-84.3133.5165.2-79.7-85.4000110.5K301K301-D316 WeakPolarHBondContact CE-OD1 3.28Å; K301-D316 IonicContact NZ-OD1 3.39Å; K301-D316 PolarHBondContact NZ-OD1 3.09Å; K301-D316 IonicContact NZ-OD2 2.84Å; K301-D316 PolarHBondContact NZ-OD2 3.1Å
317V91.1Very high89.2Confident27 Ų2749.5 Ų49.516%0.16428%0.28CS..  trans-139.2175.5177.7-60.50000110G300 V302 Q315 I320 V358G300-V317 WeakPolarHBondContact CA-O 3.42Å; G300-V317 WeakPolarHBondContact O-CG2 3.32Å; G300-V317 PolarHBondContact O-N 3.16Å; V302-V317 HydrophobicContact CG2-CG1 4.22Å; V302-V317 HydrophobicContact CG2-CG2 3.77Å; Q315-V317 HydrophobicContact CG-CG1 3.96Å; V317-I320 HydrophobicContact CG2-CD1 3.88Å; V317-I320 HydrophobicContact CG2-CG1 3.95Å; V317-V358 HydrophobicContact CG1-CG1 4.29Å; V317-V358 HydrophobicContact CG1-CG2 3.93Å
318V92.7Very high89.1Confident40 Ų4050.2 Ų50.224%0.24229%0.285CS..SBendtrans-62.9140.2171.8-175.30000109.9I320 C334 N336 Y340V318-I320 PolarHBondContact O-N 2.91Å; V318-C334 HydrophobicContact CB-CB 4.06Å; V318-C334 HydrophobicContact CG1-CB 3.76Å; V318-C334 PolarHBondContact O-SG 2.85Å; V318-C334 VanDerWaalsContact O-SG 3.41Å; V318-N336 HydrophobicContact CG1-CB 4.34Å; V318-Y340 HydrophobicContact CB-CE2 3.98Å; V318-Y340 HydrophobicContact CG2-CE2 3.68Å
319P94.3Very high89.4Confident49 Ų4948.8 Ų48.832%0.31827%0.27SS..  trans-45.2122.8178.1-33.638.2000113.8H298 C334 N335H298-P319 WeakPolarHBondContact O-CA 3.45Å; H298-P319 VanDerWaalsContact O-CB 3.28Å; H298-P319 WeakPolarHBondContact O-CB 3.33Å; P319-C334 VanDerWaalsContact O-CA 3.32Å; P319-C334 WeakPolarHBondContact O-CA 3.19Å; P319-C334 WeakPolarHBondContact O-CB 3.16Å; P319-N335 HydrophobicContact CB-CB 4.41Å; P319-N335 PolarHBondContact O-N 3.46Å
320I94Very high89.9Confident13 Ų1345 Ų457%0.06725%0.247CC..EExtended strand (participates in β ladder)trans-88.4127.8-169.4-54.6167.2000108.7T296 H298 V302 V317 V318 S322 L332T296-I320 HydrophobicContact CG2-CD1 4.24Å; H298-I320 WeakPolarHBondContact CA-O 3.41Å; H298-I320 PolarHBondContact O-N 2.68Å; V302-I320 HydrophobicContact CG2-CD1 3.73Å; V317-I320 HydrophobicContact CG2-CD1 3.88Å; V317-I320 HydrophobicContact CG2-CG1 3.95Å; V318-I320 PolarHBondContact O-N 2.91Å; I320-S322 WeakPolarHBondContact CG2-O 3.23Å; I320-L332 HydrophobicContact CD1-CD1 4.22Å; I320-L332 HydrophobicContact CD1-CD2 4.33Å; I320-L332 HydrophobicContact CG2-CD2 4.22Å
321S94.1Very high90.4Very high43 Ų4340.9 Ų40.930%0.30123%0.23SC..EExtended strand (participates in β ladder)trans-114.9-15.9176.448.10000113.5G333 C334 N335 I370S321-G333 PolarHBondContact N-O 3.33Å; S321-G333 PolarHBondContact OG-O 3.11Å; S321-C334 VanDerWaalsContact OG-C 3.22Å; S321-C334 PolarHBondContact OG-O 2.9Å; S321-N335 PolarHBondContact OG-N 2.93Å; S321-I370 CarbonylContact C-O 3.59Å; S321-I370 WeakPolarHBondContact CB-O 3.41Å; S321-I370 VanDerWaalsContact OG-C 3.31Å; S321-I370 PolarHBondContact OG-O 2.83Å
322S95.2Very high90.9Very high13 Ų1335.8 Ų35.89%0.09121%0.206CC..EExtended strand (participates in β ladder)trans-158.6165.8168.756.80000112I320 G333 I370 L373I320-S322 WeakPolarHBondContact CG2-O 3.23Å; S322-G333 PolarHBondContact N-O 2.89Å; S322-G333 PolarHBondContact O-N 3.26Å; S322-I370 WeakPolarHBondContact CB-O 3.2Å; S322-I370 PolarHBondContact N-O 3.3Å; S322-I370 PolarHBondContact OG-O 3.24Å; S322-L373 WeakPolarHBondContact OG-CB 3.24Å
323Y95.2Very high91.2Very high97 Ų9734.2 Ų34.238%0.3820%0.2SC..EExtended strand (participates in β ladder)trans-151.4157.1175.268.9-85.1000111.7A285 F287 I331A285-Y323 HydrophobicContact CB-CD1 4.31Å; A285-Y323 HydrophobicContact CB-CE1 3.47Å; A285-Y323 VanDerWaalsContact CB-CE1 3.47Å; A285-Y323 HydrophobicContact CB-CE2 4.42Å; A285-Y323 WeakPolarHBondContact CB-OH 3.29Å; F287-Y323 AromaticContact CD1-CE2 3.79Å; F287-Y323 HydrophobicContact CD1-CE2 3.79Å; F287-Y323 AromaticContact CE1-CD2 3.7Å; F287-Y323 HydrophobicContact CE1-CD2 3.7Å; F287-Y323 AromaticContact CE1-CE2 3.33Å; F287-Y323 HydrophobicContact CE1-CE2 3.33Å; F287-Y323 HydrophobicContact CE1-CG 4.46Å; F287-Y323 AromaticContact CE1-CZ 3.83Å; F287-Y323 HydrophobicContact CE2-CE2 4.48Å; F287-Y323 AromaticContact CZ-CD2 3.69Å; F287-Y323 HydrophobicContact CZ-CD2 3.69Å; F287-Y323 AromaticContact CZ-CE2 3.73Å; F287-Y323 HydrophobicContact CZ-CE2 3.73Å; Y323-I331 CarbonylContact C-O 3.5Å; Y323-I331 VanDerWaalsContact CA-O 3.22Å; Y323-I331 WeakPolarHBondContact CA-O 3.43Å
324D94.6Very high91.6Very high21 Ų2133.1 Ų33.111%0.11220%0.195CC..EExtended strand (participates in β ladder)trans-148.5173164-164.99.9000109.4I331 L373 S374 V375 R496D324-I331 PolarHBondContact N-O 2.96Å; D324-I331 PolarHBondContact O-N 2.81Å; D324-L373 HydrophobicContact CB-CD2 3.62Å; D324-S374 VanDerWaalsContact OD2-CA 3.31Å; D324-S374 WeakPolarHBondContact OD2-CA 3.45Å; D324-V375 HydrophobicContact CB-CG2 4.16Å; D324-V375 PolarHBondContact OD2-N 3.08Å; D324-R496 IonicContact OD1-NH2 3.33Å; D324-R496 PolarHBondContact OD1-NH2 2.74Å; D324-R496 IonicContact OD2-CZ 2.78Å; D324-R496 IonicContact OD2-NH1 3.26Å; D324-R496 IonicContact OD2-NH2 3.44Å; D324-R496 PolarHBondContact OD2-NH2 2.76Å
325T91.3Very high91.9Very high51 Ų5134.5 Ų34.531%0.31320%0.203SC..EExtended strand (participates in β ladder)trans-125.6141.7-178.760.20000111.9F287 V289 F329 L330F287-T325 HydrophobicContact CD2-CG2 4.23Å; F287-T325 HydrophobicContact CE2-CG2 3.65Å; F287-T325 HydrophobicContact CZ-CG2 4.46Å; V289-T325 HydrophobicContact CG2-CG2 3.81Å; T325-F329 WeakPolarHBondContact CA-O 3.24Å; T325-L330 HydrophobicContact CG2-CD1 4.3Å
326A86.6Confident92.3Very high6 Ų635.4 Ų35.45%0.0521%0.208CC..EExtended strand (participates in β ladder)trans-138.583.7-174.500000109.8S328 F329 I331 V375 L377A326-S328 PolarHBondContact O-N 3.47Å; A326-S328 VanDerWaalsContact O-N 3.17Å; A326-F329 HydrophobicContact CB-CB 4.41Å; A326-F329 PolarHBondContact N-O 3.13Å; A326-F329 WeakPolarHBondContact O-CD2 3.45Å; A326-F329 PolarHBondContact O-N 3.39Å; A326-I331 HydrophobicContact CB-CD1 4.02Å; A326-V375 HydrophobicContact CB-CB 4.39Å; A326-V375 HydrophobicContact CB-CG1 3.77Å; A326-L377 HydrophobicContact CB-CD1 4.08Å; A326-L377 HydrophobicContact CB-CD2 4.38Å; A326-L377 HydrophobicContact CB-CG 4.34Å
327G84Confident92.6Very high65 Ų6530.7 Ų30.767%0.6718%0.183SC*.THydrogen-bonded Turntrans68.7-108.9-17500000111.8
328S81.5Confident92.8Very high16 Ų1629.4 Ų29.411%0.11218%0.175CC..THydrogen-bonded Turntrans-91.1-10.4172.669.30000114A326 D343 V344 Q345A326-S328 PolarHBondContact O-N 3.47Å; A326-S328 VanDerWaalsContact O-N 3.17Å; S328-D343 WeakPolarHBondContact CB-OD1 3.34Å; S328-D343 PolarHBondContact OG-OD1 3.02Å; S328-V344 WeakPolarHBondContact O-CB 3.42Å; S328-V344 WeakPolarHBondContact O-CG2 3.39Å; S328-V344 PolarHBondContact O-N 3.45Å; S328-Q345 VanDerWaalsContact CB-CD 3.46Å; S328-Q345 VanDerWaalsContact CB-CG 3.48Å
329F86.7Confident93Very high67 Ų6727.5 Ų27.529%0.29416%0.163SC..EExtended strand (participates in β ladder)trans-87.9126.3-175.6-55.7-68.3000111T325 A326 Y341 I342 D343T325-F329 WeakPolarHBondContact CA-O 3.24Å; A326-F329 HydrophobicContact CB-CB 4.41Å; A326-F329 PolarHBondContact N-O 3.13Å; A326-F329 WeakPolarHBondContact O-CD2 3.45Å; A326-F329 PolarHBondContact O-N 3.39Å; F329-Y341 AromaticContact CD1-CD2 3.81Å; F329-Y341 HydrophobicContact CD1-CD2 3.81Å; F329-Y341 HydrophobicContact CD1-CE2 4.14Å; F329-Y341 HydrophobicContact CE1-CD2 4.28Å; F329-Y341 HydrophobicContact CE1-CE2 4.14Å; F329-I342 WeakPolarHBondContact CA-O 3.39Å; F329-D343 HydrophobicContact CD1-CB 3.82Å; F329-D343 HydrophobicContact CE1-CB 3.74Å; F329-D343 WeakPolarHBondContact CE1-OD2 3.12Å
330L91.7Very high93Very high0 Ų026.5 Ų26.50%015%0.154CC..EExtended strand (participates in β ladder)trans-89.3124.4161.6171.861.1000107.6F287 I294 V302 T325 L332 Y341 I342 V344F287-L330 HydrophobicContact CE2-CD1 4.1Å; F287-L330 HydrophobicContact CZ-CD1 3.73Å; I294-L330 HydrophobicContact CG2-CD2 3.88Å; V302-L330 HydrophobicContact CG1-CD2 4.25Å; T325-L330 HydrophobicContact CG2-CD1 4.3Å; L330-L332 HydrophobicContact CD1-CD2 3.88Å; L330-L332 HydrophobicContact CD2-CD2 4.13Å; L330-L332 HydrophobicContact CG-CD2 3.85Å; L330-L332 HydrophobicContact CG-CG 4.18Å; L330-Y341 CarbonylContact O-C 3.56Å; L330-Y341 WeakPolarHBondContact O-CA 3.48Å; L330-I342 HydrophobicContact CB-CB 4.46Å; L330-I342 PolarHBondContact N-O 3.33Å; L330-I342 PolarHBondContact O-N 3.43Å; L330-V344 HydrophobicContact CB-CG2 3.83Å
331I94.1Very high92.8Very high6 Ų629.4 Ų29.43%0.03116%0.164CC..EExtended strand (participates in β ladder)trans-114130.5179.2-67.7165.4000108.2Y323 D324 A326 I339 Y340 L373 V375 I390Y323-I331 CarbonylContact C-O 3.5Å; Y323-I331 VanDerWaalsContact CA-O 3.22Å; Y323-I331 WeakPolarHBondContact CA-O 3.43Å; D324-I331 PolarHBondContact N-O 2.96Å; D324-I331 PolarHBondContact O-N 2.81Å; A326-I331 HydrophobicContact CB-CD1 4.02Å; I331-I339 HydrophobicContact CG2-CG2 3.67Å; I331-Y340 WeakPolarHBondContact CA-O 3.27Å; I331-L373 HydrophobicContact CB-CD2 4.4Å; I331-L373 HydrophobicContact CG2-CD1 3.98Å; I331-L373 HydrophobicContact CG2-CD2 3.76Å; I331-V375 HydrophobicContact CB-CG2 4.35Å; I331-V375 HydrophobicContact CD1-CB 4.43Å; I331-V375 HydrophobicContact CD1-CG1 4.04Å; I331-V375 HydrophobicContact CD1-CG2 3.72Å; I331-V375 HydrophobicContact CG2-CG2 4.3Å; I331-I390 HydrophobicContact CD1-CD1 4.39Å
332L95.8Very high92.5Very high1 Ų127.4 Ų27.41%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-122.4120.5-170.6-58.8177.3000109.6V302 I320 L330 I339 Y340 I342V302-L332 HydrophobicContact CG2-CD1 3.91Å; I320-L332 HydrophobicContact CD1-CD1 4.22Å; I320-L332 HydrophobicContact CD1-CD2 4.33Å; I320-L332 HydrophobicContact CG2-CD2 4.22Å; L330-L332 HydrophobicContact CD1-CD2 3.88Å; L330-L332 HydrophobicContact CD2-CD2 4.13Å; L330-L332 HydrophobicContact CG-CD2 3.85Å; L330-L332 HydrophobicContact CG-CG 4.18Å; L332-I339 CarbonylContact O-C 3.54Å; L332-I339 WeakPolarHBondContact O-CA 3.32Å; L332-Y340 PolarHBondContact N-O 2.76Å; L332-Y340 PolarHBondContact O-N 3.13Å; L332-I342 HydrophobicContact CD1-CD1 3.93Å
333G96.8Very high92Very high0 Ų027.8 Ų27.80%015%0.151CC..EExtended strand (participates in β ladder)trans-89.3128.6167.400000110S321 S322S321-G333 PolarHBondContact N-O 3.33Å; S321-G333 PolarHBondContact OG-O 3.11Å; S322-G333 PolarHBondContact N-O 2.89Å; S322-G333 PolarHBondContact O-N 3.26Å
334C96.6Very high91.3Very high0 Ų023.2 Ų23.20%013%0.134CC..EExtended strand (participates in β ladder)trans-113.7162.6-172.7-70.40000113.8V318 P319 S321 N336 G337 S338 Y340 I370V318-C334 HydrophobicContact CB-CB 4.06Å; V318-C334 HydrophobicContact CG1-CB 3.76Å; V318-C334 PolarHBondContact O-SG 2.85Å; V318-C334 VanDerWaalsContact O-SG 3.41Å; P319-C334 VanDerWaalsContact O-CA 3.32Å; P319-C334 WeakPolarHBondContact O-CA 3.19Å; P319-C334 WeakPolarHBondContact O-CB 3.16Å; S321-C334 VanDerWaalsContact OG-C 3.22Å; S321-C334 PolarHBondContact OG-O 2.9Å; C334-N336 WeakPolarHBondContact CB-OD1 3.38Å; C334-N336 PolarHBondContact O-N 2.87Å; C334-N336 VanDerWaalsContact O-N 3.12Å; C334-G337 PolarHBondContact O-N 2.88Å; C334-S338 WeakPolarHBondContact CB-O 3.49Å; C334-S338 PolarHBondContact N-O 2.96Å; C334-Y340 HydrophobicContact CB-CD2 4.42Å; C334-Y340 HydrophobicContact CB-CE2 4.34Å; C334-I370 PolarHBondContact O-N 2.99Å
335N95.8Very high90.3Very high84 Ų8429.1 Ų29.145%0.44916%0.161SC..THydrogen-bonded Turntrans-69.1-6.7-175.577.8-26000115.2P319 S321 A369P319-N335 HydrophobicContact CB-CB 4.41Å; P319-N335 PolarHBondContact O-N 3.46Å; S321-N335 PolarHBondContact OG-N 2.93Å; N335-A369 HydrophobicContact CB-CB 4.5Å; N335-A369 WeakPolarHBondContact O-CB 3.39Å
336N95.6Very high89.3Confident45 Ų4534 Ų3424%0.24118%0.177CC..THydrogen-bonded Turntrans-104.816.817972.5-24.7000112.8V318 C334 S338V318-N336 HydrophobicContact CG1-CB 4.34Å; C334-N336 WeakPolarHBondContact CB-OD1 3.38Å; C334-N336 PolarHBondContact O-N 2.87Å; C334-N336 VanDerWaalsContact O-N 3.12Å; N336-S338 PolarHBondContact ND2-OG 3.42Å; N336-S338 PolarHBondContact O-N 2.83Å; N336-S338 WeakPolarHBondContact OD1-CB 3Å; N336-S338 PolarHBondContact OD1-N 2.86Å; N336-S338 PolarHBondContact OD1-OG 2.8Å
337G96.1Very high88Confident0 Ų034.7 Ų34.70%018%0.179CC..SBendtrans72.11.6-175.400000115.4C334 D364 D368C334-G337 PolarHBondContact O-N 2.88Å; G337-D364 WeakPolarHBondContact O-CB 3.36Å; G337-D364 PolarHBondContact O-N 3.48Å; G337-D368 WeakPolarHBondContact CA-O 3.43Å
338S96.8Very high86.4Confident0 Ų034.5 Ų34.50%017%0.166CC..EExtended strand (participates in β ladder)trans-83.5144.5176.1-54.60000111.4C334 N336 E360 R363C334-S338 WeakPolarHBondContact CB-O 3.49Å; C334-S338 PolarHBondContact N-O 2.96Å; N336-S338 PolarHBondContact ND2-OG 3.42Å; N336-S338 PolarHBondContact O-N 2.83Å; N336-S338 WeakPolarHBondContact OD1-CB 3Å; N336-S338 PolarHBondContact OD1-N 2.86Å; N336-S338 PolarHBondContact OD1-OG 2.8Å; S338-E360 PolarHBondContact OG-OE1 2.87Å; S338-R363 PolarHBondContact OG-NE 2.78Å; S338-R363 PolarHBondContact OG-NH2 3.26Å
339I96.3Very high84.9Confident0 Ų038.4 Ų38.40%019%0.185CC..EExtended strand (participates in β ladder)trans-112.2118.9169.2-60.3175.8000107.2I331 L332 L361 Y362 I370 L373 Y392 I402I331-I339 HydrophobicContact CG2-CG2 3.67Å; L332-I339 CarbonylContact O-C 3.54Å; L332-I339 WeakPolarHBondContact O-CA 3.32Å; I339-L361 HydrophobicContact CG2-CB 4.48Å; I339-L361 HydrophobicContact CG2-CD2 4.43Å; I339-L361 WeakPolarHBondContact O-CB 3.15Å; I339-L361 PolarHBondContact O-N 2.78Å; I339-Y362 HydrophobicContact CD1-CD1 4.2Å; I339-Y362 PolarHBondContact N-O 3.22Å; I339-Y362 PolarHBondContact O-N 2.86Å; I339-I370 HydrophobicContact CG1-CD1 4.31Å; I339-I370 HydrophobicContact CG1-CG1 4.04Å; I339-I370 HydrophobicContact CG1-CG2 4.42Å; I339-L373 HydrophobicContact CD1-CD1 4.01Å; I339-L373 HydrophobicContact CG1-CD1 4.13Å; I339-L373 HydrophobicContact CG2-CD1 3.88Å; I339-Y392 HydrophobicContact CD1-CD1 3.72Å; I339-Y392 HydrophobicContact CD1-CE1 4.08Å; I339-Y392 HydrophobicContact CD1-CG 4.04Å; I339-I402 HydrophobicContact CD1-CD1 4.05Å
340Y93.3Very high83.4Confident29 Ų2942.2 Ų42.211%0.11420%0.198CC..EExtended strand (participates in β ladder)trans-104.8156.2176.6-64.6-82.4000111V318 I331 L332 C334 V358 T359 E360V318-Y340 HydrophobicContact CB-CE2 3.98Å; V318-Y340 HydrophobicContact CG2-CE2 3.68Å; I331-Y340 WeakPolarHBondContact CA-O 3.27Å; L332-Y340 PolarHBondContact N-O 2.76Å; L332-Y340 PolarHBondContact O-N 3.13Å; C334-Y340 HydrophobicContact CB-CD2 4.42Å; C334-Y340 HydrophobicContact CB-CE2 4.34Å; Y340-V358 HydrophobicContact CD1-CG1 3.98Å; Y340-V358 HydrophobicContact CG-CG1 4.13Å; Y340-T359 CarbonylContact C-O 3.58Å; Y340-T359 VanDerWaalsContact CA-O 3.31Å; Y340-T359 WeakPolarHBondContact CA-O 3.26Å; Y340-E360 VanDerWaalsContact CD1-CA 3.5Å; Y340-E360 HydrophobicContact CD1-CB 3.89Å; Y340-E360 HydrophobicContact CD1-CG 4.2Å; Y340-E360 HydrophobicContact CE1-CB 3.53Å; Y340-E360 HydrophobicContact CE1-CG 3.67Å; Y340-E360 WeakPolarHBondContact CE1-OE2 3.25Å; Y340-E360 PolarHBondContact OH-OE2 2.94Å
341Y90.1Very high81.4Confident73 Ų7350.9 Ų50.929%0.28624%0.24SC..EExtended strand (participates in β ladder)trans-127.2153.7165.683-86000112.3F329 L330 T359 L361F329-Y341 AromaticContact CD1-CD2 3.81Å; F329-Y341 HydrophobicContact CD1-CD2 3.81Å; F329-Y341 HydrophobicContact CD1-CE2 4.14Å; F329-Y341 HydrophobicContact CE1-CD2 4.28Å; F329-Y341 HydrophobicContact CE1-CE2 4.14Å; L330-Y341 CarbonylContact O-C 3.56Å; L330-Y341 WeakPolarHBondContact O-CA 3.48Å; Y341-T359 HydrophobicContact CD1-CG2 4.32Å; Y341-T359 VanDerWaalsContact CE1-CB 3.48Å; Y341-T359 HydrophobicContact CE1-CG2 3.58Å; Y341-T359 PolarHBondContact N-O 3.26Å; Y341-T359 PolarHBondContact O-N 2.82Å; Y341-L361 HydrophobicContact CD1-CB 4.09Å; Y341-L361 HydrophobicContact CD1-CD1 4.19Å; Y341-L361 HydrophobicContact CE1-CD1 4.42Å
342I88.1Confident79.5Confident2 Ų259 Ų591%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-135.5126.4177.2-52.7179000107.8F329 L330 L332 V344 L356 V358F329-I342 WeakPolarHBondContact CA-O 3.39Å; L330-I342 HydrophobicContact CB-CB 4.46Å; L330-I342 PolarHBondContact N-O 3.33Å; L330-I342 PolarHBondContact O-N 3.43Å; L332-I342 HydrophobicContact CD1-CD1 3.93Å; I342-V344 PolarHBondContact O-N 2.93Å; I342-L356 HydrophobicContact CD1-CD1 4.38Å; I342-L356 HydrophobicContact CG2-CB 4.33Å; I342-L356 HydrophobicContact CG2-CD1 4.29Å; I342-L356 HydrophobicContact CG2-CD2 4.22Å; I342-V358 HydrophobicContact CD1-CG2 3.92Å; I342-V358 HydrophobicContact CG1-CB 4.41Å; I342-V358 HydrophobicContact CG1-CG1 4.26Å; I342-V358 HydrophobicContact CG1-CG2 4.07Å
343D84.5Confident77.8Confident20 Ų2062.1 Ų62.111%0.10729%0.292CS..EExtended strand (participates in β ladder)trans-86.9105.5173.2-168.9-19.8000110.8S328 F329 Q345 K346S328-D343 WeakPolarHBondContact CB-OD1 3.34Å; S328-D343 PolarHBondContact OG-OD1 3.02Å; F329-D343 HydrophobicContact CD1-CB 3.82Å; F329-D343 HydrophobicContact CE1-CB 3.74Å; F329-D343 WeakPolarHBondContact CE1-OD2 3.12Å; D343-Q345 VanDerWaalsContact C-N 3.27Å; D343-Q345 PolarHBondContact O-N 3.33Å; D343-Q345 PolarHBondContact OD1-N 2.96Å; D343-K346 HydrophobicContact CB-CB 4.28Å; D343-K346 HydrophobicContact CB-CG 4.38Å; D343-K346 PolarHBondContact O-N 2.87Å; D343-K346 PolarHBondContact OD1-N 3.4Å; D343-K346 WeakPolarHBondContact OD2-CG 3.41Å; D343-K346 IonicContact OD2-NZ 3.23Å; D343-K346 PolarHBondContact OD2-NZ 3.33Å
344V81.2Confident76Confident2 Ų266.7 Ų66.71%0.01232%0.316CS..SBendtrans-78.3-12.5-174.1-160.50000112.2V289 Q292 I294 V304 S328 L330 I342V289-V344 HydrophobicContact CG1-CB 4.19Å; V289-V344 HydrophobicContact CG1-CG2 4.21Å; Q292-V344 HydrophobicContact CB-CG1 3.73Å; Q292-V344 HydrophobicContact CG-CG1 3.76Å; Q292-V344 PolarHBondContact NE2-O 3.03Å; I294-V344 HydrophobicContact CD1-CG1 3.57Å; I294-V344 HydrophobicContact CD1-CG2 4.38Å; V304-V344 HydrophobicContact CG1-CG1 4.04Å; S328-V344 WeakPolarHBondContact O-CB 3.42Å; S328-V344 WeakPolarHBondContact O-CG2 3.39Å; S328-V344 PolarHBondContact O-N 3.45Å; L330-V344 HydrophobicContact CB-CG2 3.83Å; I342-V344 PolarHBondContact O-N 2.93Å
345Q72.6Confident74.7Confident145 Ų14570 Ų7068%0.67833%0.334SS*.SBendtrans-87.6-29.2173.5-79.8-177.611.800113.2S328 D343 F347S328-Q345 VanDerWaalsContact CB-CD 3.46Å; S328-Q345 VanDerWaalsContact CB-CG 3.48Å; D343-Q345 VanDerWaalsContact C-N 3.27Å; D343-Q345 PolarHBondContact O-N 3.33Å; D343-Q345 PolarHBondContact OD1-N 2.96Å; Q345-F347 PolarHBondContact O-N 3.49Å
346K70.1Confident73.6Confident153 Ų15366.9 Ų66.967%0.66532%0.318SS*.SBendtrans-76.933.2173.1-67.4-172-175.586.60113D343D343-K346 HydrophobicContact CB-CB 4.28Å; D343-K346 HydrophobicContact CB-CG 4.38Å; D343-K346 PolarHBondContact O-N 2.87Å; D343-K346 PolarHBondContact OD1-N 3.4Å; D343-K346 WeakPolarHBondContact OD2-CG 3.41Å; D343-K346 IonicContact OD2-NZ 3.23Å; D343-K346 PolarHBondContact OD2-NZ 3.33Å
347F60.6Low72.7Confident21 Ų2169.8 Ų69.89%0.09233%0.333CS..  trans-93.9127.4-174.5-171.2-69.2000111.2V304 N306 Q313 Q345 L356V304-F347 HydrophobicContact CB-CD2 4.36Å; V304-F347 HydrophobicContact CB-CE2 3.76Å; V304-F347 HydrophobicContact CG1-CD2 3.78Å; V304-F347 HydrophobicContact CG1-CE2 3.59Å; V304-F347 HydrophobicContact CG1-CZ 4.38Å; N306-F347 HydrophobicContact CB-CD1 3.74Å; N306-F347 HydrophobicContact CB-CE1 3.66Å; N306-F347 HydrophobicContact CB-CZ 4.36Å; N306-F347 WeakPolarHBondContact ND2-CD1 3.34Å; Q313-F347 HydrophobicContact CB-CE2 4.32Å; Q313-F347 HydrophobicContact CB-CZ 3.85Å; Q345-F347 PolarHBondContact O-N 3.49Å; F347-L356 HydrophobicContact CD2-CD2 3.58Å; F347-L356 HydrophobicContact CE2-CD2 3.65Å
348P50.7Low72.2Confident61 Ų6172 Ų7240%0.39635%0.346SS..SBendcis-105.3-169.8-537.6-26.9000112.5
349L50.3Low71.8Confident97 Ų9774 Ų7451%0.50836%0.358SS..  trans94.492.1169.9-54.2-176.7000117.3M351 N354L349-M351 PolarHBondContact O-N 2.8Å; L349-N354 HydrophobicContact CD2-CB 4.24Å; L349-N354 WeakPolarHBondContact CD2-OD1 3.31Å
350R53.4Low71.5Confident148 Ų14877.7 Ų77.756%0.55838%0.375SS*.  -61.2113.8118.3-170-176.3-165.4176.25.2107.5K352 D353 N354R350-K352 PolarHBondContact O-N 2.92Å; R350-D353 IonicContact NE-OD2 2.82Å; R350-D353 PolarHBondContact O-N 2.89Å; R350-N354 PolarHBondContact O-N 2.94Å
351M50.2Low71.4Confident182 Ų18277.6 Ų77.690%0.89738%0.377SS*.THydrogen-bonded Turntrans-53.8-9.4-167-74.1-179.566.400117.6L349L349-M351 PolarHBondContact O-N 2.8Å
352K53.8Low71.7Confident176 Ų17675.5 Ų75.577%0.76537%0.369SS*.THydrogen-bonded Turntrans-104.4-36.9-174.7-168.6-170178.9-167.10113.3R350R350-K352 PolarHBondContact O-N 2.92Å
353D61.7Low72Confident66 Ų6680 Ų8035%0.35339%0.385SS..THydrogen-bonded Turntrans-125.8-10.9-160.8-44.6-63.5000113.4R350 D355R350-D353 IonicContact NE-OD2 2.82Å; R350-D353 PolarHBondContact O-N 2.89Å; D353-D355 PolarHBondContact O-N 3.08Å
354N59Low72.6Confident96 Ų9679.1 Ų79.151%0.51338%0.381SS..  trans69.9-8-173.6-53.3-95.3000116.7Q313 L349 R350Q313-N354 PolarHBondContact NE2-O 3.25Å; L349-N354 HydrophobicContact CD2-CB 4.24Å; L349-N354 WeakPolarHBondContact CD2-OD1 3.31Å; R350-N354 PolarHBondContact O-N 2.94Å
355D68.1Low73.3Confident71 Ų7183.1 Ų83.138%0.3841%0.407SS..  trans-58.4159.7178.5-67.6-27.9000114.6D353D353-D355 PolarHBondContact O-N 3.08Å
356L72.2Confident74.3Confident18 Ų1880.4 Ų80.49%0.09440%0.4CS..  trans-65.7138.2169.7-72.5178000110.4V302 V304 Q315 I342 F347 V358V302-L356 HydrophobicContact CG1-CD1 4.44Å; V304-L356 HydrophobicContact CG2-CD1 3.91Å; Q315-L356 HydrophobicContact CB-CD1 3.72Å; Q315-L356 HydrophobicContact CB-CG 4.3Å; Q315-L356 HydrophobicContact CG-CB 4.12Å; Q315-L356 HydrophobicContact CG-CD1 4.07Å; Q315-L356 HydrophobicContact CG-CG 4.43Å; Q315-L356 VanDerWaalsContact OE1-N 3.13Å; I342-L356 HydrophobicContact CD1-CD1 4.38Å; I342-L356 HydrophobicContact CG2-CB 4.33Å; I342-L356 HydrophobicContact CG2-CD1 4.29Å; I342-L356 HydrophobicContact CG2-CD2 4.22Å; F347-L356 HydrophobicContact CD2-CD2 3.58Å; F347-L356 HydrophobicContact CE2-CD2 3.65Å; L356-V358 VanDerWaalsContact C-N 3.3Å; L356-V358 HydrophobicContact CB-CG2 4.2Å; L356-V358 PolarHBondContact O-N 3.44Å
357L77.4Confident75.5Confident106 Ų10678.7 Ų78.756%0.55539%0.394SS*.  trans-78.980.4172.8-173.364000110.5
358V85.9Confident77.3Confident45 Ų4578.6 Ų78.627%0.27340%0.395SS..EExtended strand (participates in β ladder)trans-79.2124.6171.8-168.10000109Q315 V317 Y340 I342 L356Q315-V358 HydrophobicContact CG-CG2 4.25Å; V317-V358 HydrophobicContact CG1-CG1 4.29Å; V317-V358 HydrophobicContact CG1-CG2 3.93Å; Y340-V358 HydrophobicContact CD1-CG1 3.98Å; Y340-V358 HydrophobicContact CG-CG1 4.13Å; I342-V358 HydrophobicContact CD1-CG2 3.92Å; I342-V358 HydrophobicContact CG1-CB 4.41Å; I342-V358 HydrophobicContact CG1-CG1 4.26Å; I342-V358 HydrophobicContact CG1-CG2 4.07Å; L356-V358 VanDerWaalsContact C-N 3.3Å; L356-V358 HydrophobicContact CB-CG2 4.2Å; L356-V358 PolarHBondContact O-N 3.44Å
359T87.6Confident79.5Confident43 Ų4376.6 Ų76.626%0.26438%0.384SS..EExtended strand (participates in β ladder)trans-129.2131-176-55.30000110.6Y340 Y341 L361Y340-T359 CarbonylContact C-O 3.58Å; Y340-T359 VanDerWaalsContact CA-O 3.31Å; Y340-T359 WeakPolarHBondContact CA-O 3.26Å; Y341-T359 HydrophobicContact CD1-CG2 4.32Å; Y341-T359 VanDerWaalsContact CE1-CB 3.48Å; Y341-T359 HydrophobicContact CE1-CG2 3.58Å; Y341-T359 PolarHBondContact N-O 3.26Å; Y341-T359 PolarHBondContact O-N 2.82Å; T359-L361 PolarHBondContact O-N 2.87Å
360E91.4Very high81.7Confident77 Ų7772 Ų7236%0.3636%0.36SS..EExtended strand (participates in β ladder)trans-70119.1174.4-157.9161.2139.400108.8S338 Y340 R363S338-E360 PolarHBondContact OG-OE1 2.87Å; Y340-E360 VanDerWaalsContact CD1-CA 3.5Å; Y340-E360 HydrophobicContact CD1-CB 3.89Å; Y340-E360 HydrophobicContact CD1-CG 4.2Å; Y340-E360 HydrophobicContact CE1-CB 3.53Å; Y340-E360 HydrophobicContact CE1-CG 3.67Å; Y340-E360 WeakPolarHBondContact CE1-OE2 3.25Å; Y340-E360 PolarHBondContact OH-OE2 2.94Å; E360-R363 IonicContact OE1-CZ 2.66Å; E360-R363 VanDerWaalsContact OE1-CZ 3.31Å; E360-R363 IonicContact OE1-NE 3.23Å; E360-R363 PolarHBondContact OE1-NE 2.88Å; E360-R363 IonicContact OE1-NH2 3.76Å; E360-R363 PolarHBondContact OE1-NH2 2.97Å; E360-R363 IonicContact OE2-NH2 3.41Å; E360-R363 PolarHBondContact OE2-NH2 2.9Å
361L91.3Very high83.8Confident27 Ų2766.7 Ų66.714%0.14134%0.343CS..EExtended strand (participates in β ladder)trans-88.6-44-179.4-176.360.8000110.9I339 Y341 T359 I390 P413I339-L361 HydrophobicContact CG2-CB 4.48Å; I339-L361 HydrophobicContact CG2-CD2 4.43Å; I339-L361 WeakPolarHBondContact O-CB 3.15Å; I339-L361 PolarHBondContact O-N 2.78Å; Y341-L361 HydrophobicContact CD1-CB 4.09Å; Y341-L361 HydrophobicContact CD1-CD1 4.19Å; Y341-L361 HydrophobicContact CE1-CD1 4.42Å; T359-L361 PolarHBondContact O-N 2.87Å; L361-I390 HydrophobicContact CD2-CD1 3.65Å; L361-P413 HydrophobicContact CD1-CG 3.8Å; L361-P413 HydrophobicContact CD2-CG 4.31Å; L361-P413 HydrophobicContact CG-CG 3.81Å; L361-P413 VanDerWaalsContact O-CD 3.22Å; L361-P413 WeakPolarHBondContact O-CD 3.35Å
362Y94.9Very high86Confident30 Ų3058.2 Ų58.212%0.11830%0.302CS..EExtended strand (participates in β ladder)trans-157.8157.8-172.8-176.1-95.2000110.1I339 P365 Y392 I402 P413I339-Y362 HydrophobicContact CD1-CD1 4.2Å; I339-Y362 PolarHBondContact N-O 3.22Å; I339-Y362 PolarHBondContact O-N 2.86Å; Y362-P365 WeakPolarHBondContact OH-CD 3.46Å; Y362-P365 WeakPolarHBondContact OH-CG 3.25Å; Y362-Y392 HydrophobicContact CD1-CE1 4.31Å; Y362-Y392 HydrophobicContact CE1-CE1 4.06Å; Y362-Y392 AromaticContact CE1-CZ 3.89Å; Y362-Y392 VanDerWaalsContact CE1-OH 3.24Å; Y362-Y392 WeakPolarHBondContact CE1-OH 3.24Å; Y362-I402 HydrophobicContact CD1-CD1 3.82Å; Y362-I402 HydrophobicContact CD1-CG2 4.23Å; Y362-I402 HydrophobicContact CD2-CD1 4.1Å; Y362-I402 HydrophobicContact CD2-CG2 4.06Å; Y362-I402 HydrophobicContact CE1-CD1 4.49Å; Y362-I402 HydrophobicContact CE1-CG2 3.85Å; Y362-I402 HydrophobicContact CE2-CG2 3.66Å; Y362-I402 HydrophobicContact CG-CD1 3.6Å; Y362-I402 HydrophobicContact CG-CG2 4.33Å; Y362-P413 VanDerWaalsContact CD2-O 3.27Å; Y362-P413 WeakPolarHBondContact CD2-O 3.37Å; Y362-P413 WeakPolarHBondContact CE2-O 3.35Å
363R95.9Very high88Confident95 Ų9550.4 Ų50.436%0.35827%0.269SS..EExtended strand (participates in β ladder)trans-133.1134.4171.4-178.3175.9-65.7-129.5-2.4111.1S338 E360 P365 E367S338-R363 PolarHBondContact OG-NE 2.78Å; S338-R363 PolarHBondContact OG-NH2 3.26Å; E360-R363 IonicContact OE1-CZ 2.66Å; E360-R363 VanDerWaalsContact OE1-CZ 3.31Å; E360-R363 IonicContact OE1-NE 3.23Å; E360-R363 PolarHBondContact OE1-NE 2.88Å; E360-R363 IonicContact OE1-NH2 3.76Å; E360-R363 PolarHBondContact OE1-NH2 2.97Å; E360-R363 IonicContact OE2-NH2 3.41Å; E360-R363 PolarHBondContact OE2-NH2 2.9Å; R363-P365 WeakPolarHBondContact O-CD 3.19Å; R363-E367 WeakPolarHBondContact CD-OE1 3.26Å; R363-E367 IonicContact CZ-OE1 3.31Å; R363-E367 IonicContact NE-OE1 2.89Å; R363-E367 IonicContact NH1-OE1 2.89Å; R363-E367 PolarHBondContact NH1-OE1 3.39Å
364D96.1Very high89.6Confident2 Ų247.4 Ų47.41%0.01125%0.253CS..  trans-55.3123.5174.6-169.677000111.5G337 T366 E367 D368 I370 Y392 R400G337-D364 WeakPolarHBondContact O-CB 3.36Å; G337-D364 PolarHBondContact O-N 3.48Å; D364-T366 PolarHBondContact O-N 2.81Å; D364-T366 VanDerWaalsContact OD2-CA 3.32Å; D364-T366 WeakPolarHBondContact OD2-CA 3.3Å; D364-T366 WeakPolarHBondContact OD2-CB 3.43Å; D364-T366 PolarHBondContact OD2-N 3.3Å; D364-T366 PolarHBondContact OD2-OG1 2.83Å; D364-E367 PolarHBondContact O-N 2.83Å; D364-E367 PolarHBondContact OD2-N 3.02Å; D364-D368 PolarHBondContact OD2-N 3.36Å; D364-D368 VanDerWaalsContact OD2-N 3.17Å; D364-I370 HydrophobicContact CB-CD1 4.11Å; D364-Y392 WeakPolarHBondContact OD1-CE2 3.45Å; D364-R400 IonicContact OD1-CZ 2.75Å; D364-R400 IonicContact OD1-NH1 4Å; D364-R400 PolarHBondContact OD1-NH1 3.3Å; D364-R400 IonicContact OD2-NH1 3.41Å; D364-R400 PolarHBondContact OD2-NH1 3.28Å
365P95.2Very high91.2Very high87 Ų8742.9 Ų42.957%0.56523%0.229SC*.THydrogen-bonded Turntrans-62.6-5.8179.8-28.236.6000116Y362 R363 L415Y362-P365 WeakPolarHBondContact OH-CD 3.46Å; Y362-P365 WeakPolarHBondContact OH-CG 3.25Å; R363-P365 WeakPolarHBondContact O-CD 3.19Å; P365-L415 HydrophobicContact CG-CD2 4.42Å
366T95.3Very high92.3Very high88 Ų8840 Ų4054%0.5421%0.213SC..THydrogen-bonded Turntrans-118.27.5174.836.40000112.6D364 D368 R400D364-T366 PolarHBondContact O-N 2.81Å; D364-T366 VanDerWaalsContact OD2-CA 3.32Å; D364-T366 WeakPolarHBondContact OD2-CA 3.3Å; D364-T366 WeakPolarHBondContact OD2-CB 3.43Å; D364-T366 PolarHBondContact OD2-N 3.3Å; D364-T366 PolarHBondContact OD2-OG1 2.83Å; T366-D368 PolarHBondContact O-N 3.09Å; T366-D368 VanDerWaalsContact O-N 3.09Å; T366-R400 PolarHBondContact OG1-NH1 3.01Å; T366-R400 PolarHBondContact OG1-NH2 2.62Å
367E95.4Very high92.8Very high116 Ų11642.2 Ų42.254%0.54222%0.224SC..  trans48.927.3-173.6-57.7-160121.300114.4R363 D364R363-E367 WeakPolarHBondContact CD-OE1 3.26Å; R363-E367 IonicContact CZ-OE1 3.31Å; R363-E367 IonicContact NE-OE1 2.89Å; R363-E367 IonicContact NH1-OE1 2.89Å; R363-E367 PolarHBondContact NH1-OE1 3.39Å; D364-E367 PolarHBondContact O-N 2.83Å; D364-E367 PolarHBondContact OD2-N 3.02Å
368D96.5Very high92.4Very high20 Ų2037.7 Ų37.711%0.10720%0.201CC..  trans-79.6134-178.3-1731.3000111G337 D364 T366 I370 T394 S395 S396G337-D368 WeakPolarHBondContact CA-O 3.43Å; D364-D368 PolarHBondContact OD2-N 3.36Å; D364-D368 VanDerWaalsContact OD2-N 3.17Å; T366-D368 PolarHBondContact O-N 3.09Å; T366-D368 VanDerWaalsContact O-N 3.09Å; D368-I370 PolarHBondContact O-N 2.63Å; D368-T394 HydrophobicContact CB-CG2 4.41Å; D368-T394 VanDerWaalsContact CG-CB 3.41Å; D368-T394 WeakPolarHBondContact OD2-CB 3.48Å; D368-T394 PolarHBondContact OD2-OG1 3.22Å; D368-S395 WeakPolarHBondContact OD1-CB 3.3Å; D368-S395 PolarHBondContact OD1-N 2.6Å; D368-S395 VanDerWaalsContact OD1-N 3.09Å; D368-S395 PolarHBondContact OD1-OG 3.44Å; D368-S396 PolarHBondContact OD1-N 3.34Å; D368-S396 WeakPolarHBondContact OD2-CB 3.34Å; D368-S396 PolarHBondContact OD2-N 3.02Å; D368-S396 PolarHBondContact OD2-OG 3.04Å
369A97Very high91.3Very high19 Ų1939.4 Ų39.416%0.15721%0.213CC..  trans-55131.2-17400000112.7N335 T371 T394 S395N335-A369 HydrophobicContact CB-CB 4.5Å; N335-A369 WeakPolarHBondContact O-CB 3.39Å; A369-T371 HydrophobicContact CB-CG2 4.48Å; A369-T371 PolarHBondContact O-N 3.41Å; A369-T394 VanDerWaalsContact O-CA 3.23Å; A369-T394 WeakPolarHBondContact O-CA 3.4Å; A369-S395 PolarHBondContact O-N 3.42Å; A369-S395 VanDerWaalsContact O-N 3.14Å
370I97.9Very high89.7Confident0 Ų045.4 Ų45.40%024%0.236CC..EExtended strand (participates in β ladder)trans-82.684.2-176.4-47-62.9000110.1S321 S322 C334 I339 D364 D368 L373 Y392 G393S321-I370 CarbonylContact C-O 3.59Å; S321-I370 WeakPolarHBondContact CB-O 3.41Å; S321-I370 VanDerWaalsContact OG-C 3.31Å; S321-I370 PolarHBondContact OG-O 2.83Å; S322-I370 WeakPolarHBondContact CB-O 3.2Å; S322-I370 PolarHBondContact N-O 3.3Å; S322-I370 PolarHBondContact OG-O 3.24Å; C334-I370 PolarHBondContact O-N 2.99Å; I339-I370 HydrophobicContact CG1-CD1 4.31Å; I339-I370 HydrophobicContact CG1-CG1 4.04Å; I339-I370 HydrophobicContact CG1-CG2 4.42Å; D364-I370 HydrophobicContact CB-CD1 4.11Å; D368-I370 PolarHBondContact O-N 2.63Å; I370-L373 HydrophobicContact CG2-CB 4.46Å; I370-L373 HydrophobicContact CG2-CD1 4.19Å; I370-Y392 HydrophobicContact CD1-CD2 3.7Å; I370-Y392 HydrophobicContact CD1-CE2 3.86Å; I370-Y392 HydrophobicContact CD1-CG 4.5Å; I370-Y392 HydrophobicContact CG2-CD2 4.33Å; I370-Y392 HydrophobicContact CG2-CG 4.43Å; I370-G393 CarbonylContact C-O 3.59Å
371T96.7Very high87.7Confident36 Ų3645.4 Ų45.422%0.22124%0.241CC..EExtended strand (participates in β ladder)trans-81.2-14.2-174.4560000114.4A369 G393 T394 V426A369-T371 HydrophobicContact CB-CG2 4.48Å; A369-T371 PolarHBondContact O-N 3.41Å; T371-G393 PolarHBondContact N-O 3.23Å; T371-G393 PolarHBondContact OG1-O 3.44Å; T371-T394 PolarHBondContact OG1-O 2.78Å; T371-V426 CarbonylContact C-O 3.52Å; T371-V426 VanDerWaalsContact CB-O 3.3Å; T371-V426 WeakPolarHBondContact CB-O 3.46Å; T371-V426 PolarHBondContact OG1-O 3.26Å
372A96.8Very high85.7Confident4 Ų449.3 Ų49.33%0.03327%0.27CS..EExtended strand (participates in β ladder)trans-147.5147.5171.300000111.5Y392 G393 V426 I429A372-Y392 CarbonylContact O-C 3.58Å; A372-Y392 VanDerWaalsContact O-CA 3.22Å; A372-Y392 WeakPolarHBondContact O-CA 3.38Å; A372-Y392 WeakPolarHBondContact O-CB 3.37Å; A372-G393 PolarHBondContact N-O 3.06Å; A372-G393 VanDerWaalsContact N-O 3.09Å; A372-G393 PolarHBondContact O-N 3Å; A372-V426 HydrophobicContact CB-CG1 4.08Å; A372-V426 WeakPolarHBondContact CB-O 3.44Å; A372-I429 HydrophobicContact CB-CB 4.17Å
373L95.9Very high83.4Confident13 Ų1355 Ų557%0.06830%0.303CS..EExtended strand (participates in β ladder)trans-151.1142.4-177.6-171.4144.6000111.1S322 D324 I331 I339 I370 V375 I390 A391S322-L373 WeakPolarHBondContact OG-CB 3.24Å; D324-L373 HydrophobicContact CB-CD2 3.62Å; I331-L373 HydrophobicContact CB-CD2 4.4Å; I331-L373 HydrophobicContact CG2-CD1 3.98Å; I331-L373 HydrophobicContact CG2-CD2 3.76Å; I339-L373 HydrophobicContact CD1-CD1 4.01Å; I339-L373 HydrophobicContact CG1-CD1 4.13Å; I339-L373 HydrophobicContact CG2-CD1 3.88Å; I370-L373 HydrophobicContact CG2-CB 4.46Å; I370-L373 HydrophobicContact CG2-CD1 4.19Å; L373-V375 HydrophobicContact CD2-CG2 3.64Å; L373-I390 HydrophobicContact CD1-CG2 4.28Å; L373-I390 HydrophobicContact CD2-CG2 4.24Å; L373-I390 HydrophobicContact CG-CG2 3.96Å; L373-A391 CarbonylContact C-O 3.6Å; L373-A391 WeakPolarHBondContact CA-O 3.23Å
374S95.8Very high81.2Confident2 Ų252.4 Ų52.41%0.01430%0.299CS..EExtended strand (participates in β ladder)trans-150.8135.1172.9-173.80000111.6D324 I390 A391 L431D324-S374 VanDerWaalsContact OD2-CA 3.31Å; D324-S374 WeakPolarHBondContact OD2-CA 3.45Å; S374-I390 WeakPolarHBondContact O-CA 3.41Å; S374-A391 PolarHBondContact N-O 2.96Å; S374-A391 PolarHBondContact O-N 2.81Å; S374-L431 PolarHBondContact OG-N 2.96Å
375V92.6Very high79.3Confident1 Ų153.7 Ų53.71%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-118.7107-170.3-177.50000110.6D324 A326 I331 L373 L377 I388 E389 I390 R496D324-V375 HydrophobicContact CB-CG2 4.16Å; D324-V375 PolarHBondContact OD2-N 3.08Å; A326-V375 HydrophobicContact CB-CB 4.39Å; A326-V375 HydrophobicContact CB-CG1 3.77Å; I331-V375 HydrophobicContact CB-CG2 4.35Å; I331-V375 HydrophobicContact CD1-CB 4.43Å; I331-V375 HydrophobicContact CD1-CG1 4.04Å; I331-V375 HydrophobicContact CD1-CG2 3.72Å; I331-V375 HydrophobicContact CG2-CG2 4.3Å; L373-V375 HydrophobicContact CD2-CG2 3.64Å; V375-L377 HydrophobicContact CG1-CD2 4.36Å; V375-I388 HydrophobicContact CG1-CG2 3.93Å; V375-E389 CarbonylContact C-O 3.49Å; V375-E389 WeakPolarHBondContact CA-O 3.32Å; V375-I390 HydrophobicContact CB-CG1 4.49Å; V375-I390 HydrophobicContact CG1-CG1 4.14Å; V375-I390 HydrophobicContact CG2-CB 4.5Å; V375-I390 HydrophobicContact CG2-CD1 4.16Å; V375-I390 HydrophobicContact CG2-CG1 4.02Å; V375-I390 HydrophobicContact CG2-CG2 3.99Å; V375-R496 PolarHBondContact O-NH1 3.19Å
376Y89.7Confident77.9Confident12 Ų1252.9 Ų52.95%0.04730%0.304CS..EExtended strand (participates in β ladder)trans-92.4127.2173.4-172.8-89.4000110E389 L431 E433 R496Y376-E389 WeakPolarHBondContact CD1-OE2 3.41Å; Y376-E389 PolarHBondContact N-O 3.06Å; Y376-E389 PolarHBondContact O-N 3.22Å; Y376-L431 HydrophobicContact CG-CG 4.44Å; Y376-E433 HydrophobicContact CE2-CB 4.31Å; Y376-E433 WeakPolarHBondContact OH-CB 3.38Å; Y376-R496 HydrophobicContact CD2-CB 4.3Å; Y376-R496 HydrophobicContact CE2-CB 4.29Å
377L82.6Confident76.9Confident63 Ų6349.6 Ų49.633%0.3328%0.282SS..EExtended strand (participates in β ladder)trans-103.5113.9174.5-65.1-178.8000108.6A326 V375 I388A326-L377 HydrophobicContact CB-CD1 4.08Å; A326-L377 HydrophobicContact CB-CD2 4.38Å; A326-L377 HydrophobicContact CB-CG 4.34Å; V375-L377 HydrophobicContact CG1-CD2 4.36Å; L377-I388 HydrophobicContact CD2-CB 4.38Å; L377-I388 HydrophobicContact CD2-CG1 3.94Å; L377-I388 HydrophobicContact CD2-CG2 4.24Å
378T69.8Low76.5Confident12 Ų1246 Ų467%0.07427%0.266CS..  trans-65.3131.2178.6-58.20000110.1W387 G456T378-W387 PolarHBondContact N-O 2.61Å; T378-G456 PolarHBondContact OG1-O 2.79Å
379P63.4Low76.2Confident81 Ų8145.1 Ų45.153%0.52626%0.261SS..  trans-55.6150.1176.4-27.535.5000113.1T381P379-T381 PolarHBondContact O-N 3.27Å
380K54.6Low76Confident169 Ų16944.2 Ų44.274%0.73525%0.254SS*.  trans-63.595.6-179.3-74.2-174.2176.3-1720112.3N386K380-N386 WeakPolarHBondContact CE-OD1 3.21Å; K380-N386 WeakPolarHBondContact CG-OD1 3.17Å
381T49Very low75.9Confident77 Ų7744.2 Ų44.247%0.47225%0.254SS..  trans-71.5149.9150.852.40000108.8P379 D383P379-T381 PolarHBondContact O-N 3.27Å; T381-D383 VanDerWaalsContact C-N 3.34Å; T381-D383 PolarHBondContact O-N 3.34Å; T381-D383 VanDerWaalsContact O-N 3.14Å
382S48.1Very low76Confident108 Ų10842.5 Ų42.576%0.75524%0.244SC*.THydrogen-bonded Turntrans-62.7-29.3-15329.50000116.5
383D46.2Very low76Confident149 Ų14942.3 Ų42.380%0.79724%0.242SC*.THydrogen-bonded Turntrans-122.3-11-154.5-50.7-78.1000115.6T381T381-D383 VanDerWaalsContact C-N 3.34Å; T381-D383 PolarHBondContact O-N 3.34Å; T381-D383 VanDerWaalsContact O-N 3.14Å
384S50Low76.1Confident41 Ų4141.7 Ų41.729%0.28724%0.239SC..THydrogen-bonded Turntrans-121.2-19.8-174.457.20000115.9P406S384-P406 WeakPolarHBondContact O-CB 3.19Å; S384-P406 WeakPolarHBondContact O-CG 3.14Å
385G57.4Low76.2Confident30 Ų3044.1 Ų44.131%0.30926%0.256SS..  trans92.7-175.2178.800000115.2W387G385-W387 PolarHBondContact O-N 2.69Å
386N66.1Low76.4Confident69 Ų6947 Ų4737%0.36928%0.276SS..  trans-80.3119.3-171.8-69.737.1000111.8K380K380-N386 WeakPolarHBondContact CE-OD1 3.21Å; K380-N386 WeakPolarHBondContact CG-OD1 3.17Å
387W74.4Confident76.6Confident19 Ų1946.5 Ų46.57%0.07227%0.274CS..  trans-71.1144161.9-73.276.2000110.9T378 G385 V403 H405 M457T378-W387 PolarHBondContact N-O 2.61Å; G385-W387 PolarHBondContact O-N 2.69Å; W387-V403 HydrophobicContact CE3-CB 4.48Å; W387-V403 HydrophobicContact CZ3-CB 4.36Å; W387-V403 HydrophobicContact CZ3-CG2 4.38Å; W387-H405 HydrophobicContact CH2-CB 4.08Å; W387-H405 AromaticContact CH2-CD2 3.2Å; W387-H405 WeakPolarHBondContact CH2-CD2 3.48Å; W387-H405 AromaticContact CH2-CG 3.92Å; W387-H405 HydrophobicContact CZ2-CB 4.49Å; W387-H405 AromaticContact CZ2-CD2 3.15Å; W387-H405 WeakPolarHBondContact CZ2-CD2 3.37Å; W387-H405 AromaticContact CZ2-CG 3.94Å; W387-H405 AromaticContact CZ2-NE2 3.65Å; W387-H405 HydrophobicContact CZ3-CB 4.13Å; W387-M457 HydrophobicContact CD2-CB 4.48Å; W387-M457 HydrophobicContact CE3-CB 4.47Å; W387-M457 HydrophobicContact CE3-CG 4.16Å; W387-M457 HydrophobicContact CH2-CB 3.64Å; W387-M457 HydrophobicContact CH2-CG 3.36Å; W387-M457 HydrophobicContact CH2-SD 3.39Å; W387-M457 WeakPolarHBondContact CH2-SD 3.08Å; W387-M457 HydrophobicContact CZ2-CB 3.67Å; W387-M457 HydrophobicContact CZ2-CG 3.97Å; W387-M457 HydrophobicContact CZ2-SD 4.25Å; W387-M457 HydrophobicContact CZ3-CB 4.09Å; W387-M457 HydrophobicContact CZ3-CG 3.51Å; W387-M457 HydrophobicContact CZ3-SD 3.87Å
388I85.4Confident77.3Confident42 Ų4244.1 Ų44.122%0.21526%0.262CS..EExtended strand (participates in β ladder)trans-110.9112167.8-51.2-178000107.3V375 L377 I390 V403 Q404V375-I388 HydrophobicContact CG1-CG2 3.93Å; L377-I388 HydrophobicContact CD2-CB 4.38Å; L377-I388 HydrophobicContact CD2-CG1 3.94Å; L377-I388 HydrophobicContact CD2-CG2 4.24Å; I388-I390 HydrophobicContact CG2-CD1 4.11Å; I388-I390 HydrophobicContact CG2-CG1 3.89Å; I388-V403 CarbonylContact O-C 3.59Å; I388-V403 WeakPolarHBondContact O-CA 3.29Å; I388-Q404 HydrophobicContact CB-CB 4.3Å; I388-Q404 PolarHBondContact N-O 3.32Å; I388-Q404 PolarHBondContact O-N 2.88Å
389E90.3Very high78.5Confident0 Ų043.5 Ų43.50%026%0.259CS..EExtended strand (participates in β ladder)trans-108120.5174.8-57.1-180158.600108.1V375 Y376 V403 L431 R453 I458V375-E389 CarbonylContact C-O 3.49Å; V375-E389 WeakPolarHBondContact CA-O 3.32Å; Y376-E389 WeakPolarHBondContact CD1-OE2 3.41Å; Y376-E389 PolarHBondContact N-O 3.06Å; Y376-E389 PolarHBondContact O-N 3.22Å; E389-V403 HydrophobicContact CG-CG1 4.27Å; E389-L431 HydrophobicContact CB-CD2 3.74Å; E389-R453 VanDerWaalsContact CD-NE 3.33Å; E389-R453 IonicContact OE1-NE 3.76Å; E389-R453 PolarHBondContact OE1-NE 3.02Å; E389-R453 VanDerWaalsContact OE1-NE 3.07Å; E389-R453 IonicContact OE2-CZ 3.62Å; E389-R453 IonicContact OE2-NE 2.63Å; E389-R453 PolarHBondContact OE2-NE 3.33Å; E389-R453 IonicContact OE2-NH2 2.69Å; E389-R453 PolarHBondContact OE2-NH2 3.06Å; E389-I458 WeakPolarHBondContact OE1-CB 3.43Å; E389-I458 PolarHBondContact OE1-N 3Å
390I94.1Very high80.1Confident1 Ų140.7 Ų40.71%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-119117.6179.7-47-175.3000109I331 L361 L373 S374 V375 I388 V401 I402I331-I390 HydrophobicContact CD1-CD1 4.39Å; L361-I390 HydrophobicContact CD2-CD1 3.65Å; L373-I390 HydrophobicContact CD1-CG2 4.28Å; L373-I390 HydrophobicContact CD2-CG2 4.24Å; L373-I390 HydrophobicContact CG-CG2 3.96Å; S374-I390 WeakPolarHBondContact O-CA 3.41Å; V375-I390 HydrophobicContact CB-CG1 4.49Å; V375-I390 HydrophobicContact CG1-CG1 4.14Å; V375-I390 HydrophobicContact CG2-CB 4.5Å; V375-I390 HydrophobicContact CG2-CD1 4.16Å; V375-I390 HydrophobicContact CG2-CG1 4.02Å; V375-I390 HydrophobicContact CG2-CG2 3.99Å; I388-I390 HydrophobicContact CG2-CD1 4.11Å; I388-I390 HydrophobicContact CG2-CG1 3.89Å; I390-V401 CarbonylContact O-C 3.56Å; I390-V401 WeakPolarHBondContact O-CA 3.45Å; I390-I402 HydrophobicContact CB-CD1 4.13Å; I390-I402 HydrophobicContact CB-CG1 3.71Å; I390-I402 HydrophobicContact CD1-CD1 4.34Å; I390-I402 HydrophobicContact CG1-CG1 4.38Å; I390-I402 PolarHBondContact N-O 3.4Å; I390-I402 PolarHBondContact O-N 2.91Å
391A96Very high82Confident0 Ų032.7 Ų32.70%020%0.203CC..EExtended strand (participates in β ladder)trans-91.5134.5164.200000109.1L373 S374 R400 V401 I429 L431 L436L373-A391 CarbonylContact C-O 3.6Å; L373-A391 WeakPolarHBondContact CA-O 3.23Å; S374-A391 PolarHBondContact N-O 2.96Å; S374-A391 PolarHBondContact O-N 2.81Å; A391-R400 CarbonylContact C-O 3.51Å; A391-R400 WeakPolarHBondContact CA-O 3.42Å; A391-V401 HydrophobicContact CB-CG2 4.23Å; A391-I429 HydrophobicContact CB-CG2 3.61Å; A391-L431 HydrophobicContact CB-CB 3.99Å; A391-L431 HydrophobicContact CB-CD2 4.23Å; A391-L436 HydrophobicContact CB-CD1 3.57Å
392Y97.9Very high84.1Confident0 Ų029 Ų290%018%0.18CC..EExtended strand (participates in β ladder)trans-140.1160.6174.368.3-94.8000111.7I339 Y362 D364 I370 A372 T394 R400 I402 I429I339-Y392 HydrophobicContact CD1-CD1 3.72Å; I339-Y392 HydrophobicContact CD1-CE1 4.08Å; I339-Y392 HydrophobicContact CD1-CG 4.04Å; Y362-Y392 HydrophobicContact CD1-CE1 4.31Å; Y362-Y392 HydrophobicContact CE1-CE1 4.06Å; Y362-Y392 AromaticContact CE1-CZ 3.89Å; Y362-Y392 VanDerWaalsContact CE1-OH 3.24Å; Y362-Y392 WeakPolarHBondContact CE1-OH 3.24Å; D364-Y392 WeakPolarHBondContact OD1-CE2 3.45Å; I370-Y392 HydrophobicContact CD1-CD2 3.7Å; I370-Y392 HydrophobicContact CD1-CE2 3.86Å; I370-Y392 HydrophobicContact CD1-CG 4.5Å; I370-Y392 HydrophobicContact CG2-CD2 4.33Å; I370-Y392 HydrophobicContact CG2-CG 4.43Å; A372-Y392 CarbonylContact O-C 3.58Å; A372-Y392 VanDerWaalsContact O-CA 3.22Å; A372-Y392 WeakPolarHBondContact O-CA 3.38Å; A372-Y392 WeakPolarHBondContact O-CB 3.37Å; Y392-T394 HydrophobicContact CD2-CG2 4.06Å; Y392-T394 HydrophobicContact CE2-CG2 4.01Å; Y392-R400 HydrophobicContact CD1-CB 4.39Å; Y392-R400 HydrophobicContact CD2-CB 4.25Å; Y392-R400 HydrophobicContact CE1-CB 3.85Å; Y392-R400 HydrophobicContact CE2-CB 3.67Å; Y392-R400 HydrophobicContact CE2-CG 4.14Å; Y392-R400 VanDerWaalsContact CZ-CB 3.43Å; Y392-R400 PolarHBondContact N-O 3.49Å; Y392-R400 PolarHBondContact O-N 3.14Å; Y392-R400 WeakPolarHBondContact OH-CD 3.45Å; Y392-I402 HydrophobicContact CD1-CD1 4.33Å; Y392-I402 HydrophobicContact CD1-CG1 4.33Å; Y392-I402 HydrophobicContact CE1-CD1 4.08Å; Y392-I402 HydrophobicContact CE1-CG1 4.12Å; Y392-I402 HydrophobicContact CE1-CG2 3.79Å; Y392-I429 VanDerWaalsContact O-CD1 3.3Å; Y392-I429 WeakPolarHBondContact O-CD1 3.48Å
393G97.6Very high86.1Confident0 Ų024.7 Ų24.70%015%0.149CC..EExtended strand (participates in β ladder)trans-136.3145-172.900000110I370 T371 A372 T398I370-G393 CarbonylContact C-O 3.59Å; T371-G393 PolarHBondContact N-O 3.23Å; T371-G393 PolarHBondContact OG1-O 3.44Å; A372-G393 PolarHBondContact N-O 3.06Å; A372-G393 VanDerWaalsContact N-O 3.09Å; A372-G393 PolarHBondContact O-N 3Å; G393-T398 WeakPolarHBondContact CA-O 3.46Å
394T97.9Very high88Confident0 Ų018.5 Ų18.50%012%0.116CC..EExtended strand (participates in β ladder)trans-120.4167.8-165.877.30000113.2D368 A369 T371 Y392 S396 G397 T398 V426D368-T394 HydrophobicContact CB-CG2 4.41Å; D368-T394 VanDerWaalsContact CG-CB 3.41Å; D368-T394 WeakPolarHBondContact OD2-CB 3.48Å; D368-T394 PolarHBondContact OD2-OG1 3.22Å; A369-T394 VanDerWaalsContact O-CA 3.23Å; A369-T394 WeakPolarHBondContact O-CA 3.4Å; T371-T394 PolarHBondContact OG1-O 2.78Å; Y392-T394 HydrophobicContact CD2-CG2 4.06Å; Y392-T394 HydrophobicContact CE2-CG2 4.01Å; T394-S396 VanDerWaalsContact C-N 3.28Å; T394-S396 PolarHBondContact O-N 2.88Å; T394-S396 PolarHBondContact OG1-OG 3.01Å; T394-G397 PolarHBondContact O-N 2.91Å; T394-T398 PolarHBondContact N-O 2.84Å; T394-T398 WeakPolarHBondContact OG1-CB 3.03Å; T394-T398 PolarHBondContact OG1-N 3.19Å; T394-T398 PolarHBondContact OG1-O 3.18Å; T394-V426 PolarHBondContact O-N 3.24Å; T394-V426 VanDerWaalsContact O-N 3.16Å
395S96.6Very high89.3Confident53 Ų5319.4 Ų19.437%0.37112%0.115SC..THydrogen-bonded Turntrans-66.4-26.4-177.280.70000113.6D368 A369 G397 P425D368-S395 WeakPolarHBondContact OD1-CB 3.3Å; D368-S395 PolarHBondContact OD1-N 2.6Å; D368-S395 VanDerWaalsContact OD1-N 3.09Å; D368-S395 PolarHBondContact OD1-OG 3.44Å; A369-S395 PolarHBondContact O-N 3.42Å; A369-S395 VanDerWaalsContact O-N 3.14Å; S395-G397 PolarHBondContact O-N 2.9Å; S395-P425 WeakPolarHBondContact O-CA 3.49Å; S395-P425 WeakPolarHBondContact O-CG 3.49Å
396S96.4Very high89.9Confident61 Ų6119 Ų1943%0.42711%0.107SC..THydrogen-bonded Turntrans-71.2-7.8171.263.70000114.9D368 T394 T398D368-S396 PolarHBondContact OD1-N 3.34Å; D368-S396 WeakPolarHBondContact OD2-CB 3.34Å; D368-S396 PolarHBondContact OD2-N 3.02Å; D368-S396 PolarHBondContact OD2-OG 3.04Å; T394-S396 VanDerWaalsContact C-N 3.28Å; T394-S396 PolarHBondContact O-N 2.88Å; T394-S396 PolarHBondContact OG1-OG 3.01Å; S396-T398 PolarHBondContact OG-OG1 2.95Å
397G95.6Very high90.1Very high1 Ų123 Ų231%0.0112%0.123CC..SBendtrans86.414.1-17300000114.1T394 S395 H422 S424T394-G397 PolarHBondContact O-N 2.91Å; S395-G397 PolarHBondContact O-N 2.9Å; G397-H422 WeakPolarHBondContact O-CB 3.3Å; G397-H422 PolarHBondContact O-N 3.33Å; G397-S424 WeakPolarHBondContact CA-O 3.26Å
398T96.3Very high89.7Confident13 Ų1324.6 Ų24.68%0.0814%0.136CC..EExtended strand (participates in β ladder)trans-81.4138.5173.7-53.60000110.1G393 T394 S396 R400 T418G393-T398 WeakPolarHBondContact CA-O 3.46Å; T394-T398 PolarHBondContact N-O 2.84Å; T394-T398 WeakPolarHBondContact OG1-CB 3.03Å; T394-T398 PolarHBondContact OG1-N 3.19Å; T394-T398 PolarHBondContact OG1-O 3.18Å; S396-T398 PolarHBondContact OG-OG1 2.95Å; T398-R400 HydrophobicContact CG2-CG 3.99Å; T398-T418 HydrophobicContact CG2-CG2 3.57Å
399V96.2Very high88.6Confident0 Ų027.5 Ų27.50%016%0.155CC..EExtended strand (participates in β ladder)trans-109.4135.5170.31770000108.3T418 F419 V421 V426 I429 L436V399-T418 CarbonylContact O-C 3.59Å; V399-F419 HydrophobicContact CB-CB 4.26Å; V399-F419 HydrophobicContact CB-CD2 4.35Å; V399-F419 HydrophobicContact CG1-CD2 4.13Å; V399-F419 PolarHBondContact N-O 2.76Å; V399-F419 PolarHBondContact O-N 2.98Å; V399-V421 HydrophobicContact CG2-CG2 4.32Å; V399-V426 HydrophobicContact CG2-CG1 4.49Å; V399-V426 HydrophobicContact CG2-CG2 4.07Å; V399-I429 HydrophobicContact CB-CD1 4.42Å; V399-I429 HydrophobicContact CG1-CD1 3.77Å; V399-I429 HydrophobicContact CG2-CD1 4.18Å; V399-L436 HydrophobicContact CG1-CD2 4.19Å
400R95.4Very high87.3Confident22 Ų2231.6 Ų31.68%0.08320%0.198CC..EExtended strand (participates in β ladder)trans-134.8152.5-179.8-65.2-173.5175.4154.76110.8D364 T366 A391 Y392 T398 L415 Q417 T418D364-R400 IonicContact OD1-CZ 2.75Å; D364-R400 IonicContact OD1-NH1 4Å; D364-R400 PolarHBondContact OD1-NH1 3.3Å; D364-R400 IonicContact OD2-NH1 3.41Å; D364-R400 PolarHBondContact OD2-NH1 3.28Å; T366-R400 PolarHBondContact OG1-NH1 3.01Å; T366-R400 PolarHBondContact OG1-NH2 2.62Å; A391-R400 CarbonylContact C-O 3.51Å; A391-R400 WeakPolarHBondContact CA-O 3.42Å; Y392-R400 HydrophobicContact CD1-CB 4.39Å; Y392-R400 HydrophobicContact CD2-CB 4.25Å; Y392-R400 HydrophobicContact CE1-CB 3.85Å; Y392-R400 HydrophobicContact CE2-CB 3.67Å; Y392-R400 HydrophobicContact CE2-CG 4.14Å; Y392-R400 VanDerWaalsContact CZ-CB 3.43Å; Y392-R400 PolarHBondContact N-O 3.49Å; Y392-R400 PolarHBondContact O-N 3.14Å; Y392-R400 WeakPolarHBondContact OH-CD 3.45Å; T398-R400 HydrophobicContact CG2-CG 3.99Å; R400-L415 HydrophobicContact CB-CD1 4.05Å; R400-L415 HydrophobicContact CG-CD1 4.34Å; R400-Q417 WeakPolarHBondContact CA-O 3.49Å; R400-T418 HydrophobicContact CG-CG2 4.07Å
401V94.6Very high86.2Confident1 Ų134.6 Ų34.61%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-124.8128172.3-1790000108.4I390 A391 V403 F416 Q417 F419 L436 I458I390-V401 CarbonylContact O-C 3.56Å; I390-V401 WeakPolarHBondContact O-CA 3.45Å; A391-V401 HydrophobicContact CB-CG2 4.23Å; V401-V403 HydrophobicContact CG1-CG1 4.4Å; V401-F416 HydrophobicContact CG1-CB 4.43Å; V401-F416 WeakPolarHBondContact O-CB 3.42Å; V401-F416 PolarHBondContact O-N 3.24Å; V401-Q417 PolarHBondContact N-O 3.36Å; V401-Q417 PolarHBondContact O-N 2.88Å; V401-F419 HydrophobicContact CG2-CE2 4.27Å; V401-L436 HydrophobicContact CG2-CD2 3.95Å; V401-I458 HydrophobicContact CG1-CD1 4.49Å
402I93.3Very high85.4Confident0 Ų036.9 Ų36.90%024%0.242CC..EExtended strand (participates in β ladder)trans-114.1148.9170.356.9178.4000109.8I339 Y362 I390 Y392 P413 Q414 L415I339-I402 HydrophobicContact CD1-CD1 4.05Å; Y362-I402 HydrophobicContact CD1-CD1 3.82Å; Y362-I402 HydrophobicContact CD1-CG2 4.23Å; Y362-I402 HydrophobicContact CD2-CD1 4.1Å; Y362-I402 HydrophobicContact CD2-CG2 4.06Å; Y362-I402 HydrophobicContact CE1-CD1 4.49Å; Y362-I402 HydrophobicContact CE1-CG2 3.85Å; Y362-I402 HydrophobicContact CE2-CG2 3.66Å; Y362-I402 HydrophobicContact CG-CD1 3.6Å; Y362-I402 HydrophobicContact CG-CG2 4.33Å; I390-I402 HydrophobicContact CB-CD1 4.13Å; I390-I402 HydrophobicContact CB-CG1 3.71Å; I390-I402 HydrophobicContact CD1-CD1 4.34Å; I390-I402 HydrophobicContact CG1-CG1 4.38Å; I390-I402 PolarHBondContact N-O 3.4Å; I390-I402 PolarHBondContact O-N 2.91Å; Y392-I402 HydrophobicContact CD1-CD1 4.33Å; Y392-I402 HydrophobicContact CD1-CG1 4.33Å; Y392-I402 HydrophobicContact CE1-CD1 4.08Å; Y392-I402 HydrophobicContact CE1-CG1 4.12Å; Y392-I402 HydrophobicContact CE1-CG2 3.79Å; I402-P413 HydrophobicContact CB-CB 4.15Å; I402-P413 HydrophobicContact CD1-CB 4.13Å; I402-P413 HydrophobicContact CG1-CB 4.28Å; I402-Q414 CarbonylContact C-O 3.42Å; I402-Q414 WeakPolarHBondContact CA-O 3.5Å; I402-Q414 WeakPolarHBondContact CB-O 3.47Å; I402-L415 HydrophobicContact CG2-CB 4.42Å; I402-L415 HydrophobicContact CG2-CD1 4.1Å
403V89.9Confident85Confident17 Ų1737.3 Ų37.310%0.10324%0.244CC..EExtended strand (participates in β ladder)trans-132.7143.2-179.2-60.20000111.2W387 I388 E389 V401 P413 Q414 F416 I458W387-V403 HydrophobicContact CE3-CB 4.48Å; W387-V403 HydrophobicContact CZ3-CB 4.36Å; W387-V403 HydrophobicContact CZ3-CG2 4.38Å; I388-V403 CarbonylContact O-C 3.59Å; I388-V403 WeakPolarHBondContact O-CA 3.29Å; E389-V403 HydrophobicContact CG-CG1 4.27Å; V401-V403 HydrophobicContact CG1-CG1 4.4Å; V403-P413 CarbonylContact O-C 3.59Å; V403-P413 VanDerWaalsContact O-CA 3.31Å; V403-P413 WeakPolarHBondContact O-CA 3.37Å; V403-Q414 PolarHBondContact N-O 2.8Å; V403-Q414 PolarHBondContact O-N 2.99Å; V403-F416 HydrophobicContact CG1-CB 3.98Å; V403-F416 HydrophobicContact CG1-CD2 4.46Å; V403-F416 HydrophobicContact CG1-CG 4.24Å; V403-F416 HydrophobicContact CG2-CB 4.14Å; V403-F416 HydrophobicContact CG2-CD2 4.26Å; V403-I458 HydrophobicContact CG1-CG2 3.63Å
404Q86.1Confident84.6Confident19 Ų1943.6 Ų43.69%0.08927%0.274CS..EExtended strand (participates in β ladder)trans-118.3122.4170.3-155.9176.21600109.8I388 S411 P413I388-Q404 HydrophobicContact CB-CB 4.3Å; I388-Q404 PolarHBondContact N-O 3.32Å; I388-Q404 PolarHBondContact O-N 2.88Å; Q404-S411 PolarHBondContact NE2-O 2.87Å; Q404-P413 HydrophobicContact CB-CB 4.13Å; Q404-P413 HydrophobicContact CB-CG 4.06Å; Q404-P413 HydrophobicContact CG-CG 4.28Å
405H77Confident84.3Confident59 Ų5947.2 Ų47.227%0.27329%0.293SS..  trans-75135.1173.9-167.3-78.8000108.9W387 E407 T408W387-H405 HydrophobicContact CH2-CB 4.08Å; W387-H405 AromaticContact CH2-CD2 3.2Å; W387-H405 WeakPolarHBondContact CH2-CD2 3.48Å; W387-H405 AromaticContact CH2-CG 3.92Å; W387-H405 HydrophobicContact CZ2-CB 4.49Å; W387-H405 AromaticContact CZ2-CD2 3.15Å; W387-H405 WeakPolarHBondContact CZ2-CD2 3.37Å; W387-H405 AromaticContact CZ2-CG 3.94Å; W387-H405 AromaticContact CZ2-NE2 3.65Å; W387-H405 HydrophobicContact CZ3-CB 4.13Å; H405-E407 VanDerWaalsContact C-N 3.28Å; H405-E407 IonicContact CE1-OE2 3.75Å; H405-E407 PolarHBondContact CE1-OE2 2.75Å; H405-E407 WeakPolarHBondContact ND1-CB 3.21Å; H405-E407 PolarHBondContact ND1-N 3.17Å; H405-E407 PolarHBondContact O-N 2.66Å; H405-T408 HydrophobicContact CB-CG2 4.02Å; H405-T408 WeakPolarHBondContact CB-OG1 3.19Å; H405-T408 CarbonylContact O-C 3.53Å; H405-T408 PolarHBondContact O-N 3.23Å; H405-T408 PolarHBondContact O-OG1 2.86Å
406P70.9Confident84Confident23 Ų2346.8 Ų46.815%0.14928%0.284CS..G310 helixtrans-62.4-30.6-176.722.1-33.6000114S384 T408 V409S384-P406 WeakPolarHBondContact O-CB 3.19Å; S384-P406 WeakPolarHBondContact O-CG 3.14Å; P406-T408 VanDerWaalsContact C-N 3.29Å; P406-T408 PolarHBondContact O-N 3.07Å; P406-V409 VanDerWaalsContact O-CG2 3.28Å; P406-V409 WeakPolarHBondContact O-CG2 3.43Å
407E70Confident83.8Confident151 Ų15147 Ų4771%0.70628%0.278SS*.G310 helixtrans-73.5-17.2172.6-59171.5-177.300113.4H405H405-E407 VanDerWaalsContact C-N 3.28Å; H405-E407 IonicContact CE1-OE2 3.75Å; H405-E407 PolarHBondContact CE1-OE2 2.75Å; H405-E407 WeakPolarHBondContact ND1-CB 3.21Å; H405-E407 PolarHBondContact ND1-N 3.17Å; H405-E407 PolarHBondContact O-N 2.66Å
408T66.2Low83.7Confident54 Ų5449 Ų4933%0.33129%0.291SS..G310 helixtrans-107.531.4-177.775.50000112.6H405 P406 G410 S411H405-T408 HydrophobicContact CB-CG2 4.02Å; H405-T408 WeakPolarHBondContact CB-OG1 3.19Å; H405-T408 CarbonylContact O-C 3.53Å; H405-T408 PolarHBondContact O-N 3.23Å; H405-T408 PolarHBondContact O-OG1 2.86Å; P406-T408 VanDerWaalsContact C-N 3.29Å; P406-T408 PolarHBondContact O-N 3.07Å; T408-G410 PolarHBondContact O-N 2.79Å; T408-G410 VanDerWaalsContact O-N 3.13Å; T408-S411 CarbonylContact O-C 3.6Å; T408-S411 WeakPolarHBondContact O-CA 3.43Å; T408-S411 WeakPolarHBondContact O-CB 3.45Å; T408-S411 PolarHBondContact O-N 3.04Å
409V62.1Low83.5Confident102 Ų10248.7 Ų48.762%0.61829%0.288SS*.THydrogen-bonded Turntrans-60.5-22-178.9165.20000113.5P406 S411P406-V409 VanDerWaalsContact O-CG2 3.28Å; P406-V409 WeakPolarHBondContact O-CG2 3.43Å; V409-S411 VanDerWaalsContact C-N 3.26Å; V409-S411 PolarHBondContact O-N 2.85Å
410G63.2Low83.2Confident87 Ų8753.3 Ų53.390%0.89732%0.32SS*.THydrogen-bonded Turntrans-74.3-9.517000000115.1T408T408-G410 PolarHBondContact O-N 2.79Å; T408-G410 VanDerWaalsContact O-N 3.13Å
411S70.9Confident82.8Confident64 Ų6453.4 Ų53.445%0.44832%0.323SS..SBendtrans-108.6140.2172.6-60.40000109.5Q404 T408 V409Q404-S411 PolarHBondContact NE2-O 2.87Å; T408-S411 CarbonylContact O-C 3.6Å; T408-S411 WeakPolarHBondContact O-CA 3.43Å; T408-S411 WeakPolarHBondContact O-CB 3.45Å; T408-S411 PolarHBondContact O-N 3.04Å; V409-S411 VanDerWaalsContact C-N 3.26Å; V409-S411 PolarHBondContact O-N 2.85Å
412G79.5Confident82.7Confident47 Ų4754 Ų5449%0.48533%0.326SS..PPolyproline II helixtrans-62159.7173.800000112.6
413P89.2Confident82.8Confident9 Ų965.7 Ų65.76%0.05837%0.37CS..PPolyproline II helixtrans-58145.4176.2-19.932.1000111.8L361 Y362 I402 V403 Q404L361-P413 HydrophobicContact CD1-CG 3.8Å; L361-P413 HydrophobicContact CD2-CG 4.31Å; L361-P413 HydrophobicContact CG-CG 3.81Å; L361-P413 VanDerWaalsContact O-CD 3.22Å; L361-P413 WeakPolarHBondContact O-CD 3.35Å; Y362-P413 VanDerWaalsContact CD2-O 3.27Å; Y362-P413 WeakPolarHBondContact CD2-O 3.37Å; Y362-P413 WeakPolarHBondContact CE2-O 3.35Å; I402-P413 HydrophobicContact CB-CB 4.15Å; I402-P413 HydrophobicContact CD1-CB 4.13Å; I402-P413 HydrophobicContact CG1-CB 4.28Å; V403-P413 CarbonylContact O-C 3.59Å; V403-P413 VanDerWaalsContact O-CA 3.31Å; V403-P413 WeakPolarHBondContact O-CA 3.37Å; Q404-P413 HydrophobicContact CB-CB 4.13Å; Q404-P413 HydrophobicContact CB-CG 4.06Å; Q404-P413 HydrophobicContact CG-CG 4.28Å
414Q90.3Very high83.1Confident132 Ų13266.6 Ų66.662%0.61738%0.377SS*.EExtended strand (participates in β ladder)trans-103.6146.7-177.4-61.8-175.22.200111.1I402 V403 F416I402-Q414 CarbonylContact C-O 3.42Å; I402-Q414 WeakPolarHBondContact CA-O 3.5Å; I402-Q414 WeakPolarHBondContact CB-O 3.47Å; V403-Q414 PolarHBondContact N-O 2.8Å; V403-Q414 PolarHBondContact O-N 2.99Å; Q414-F416 PolarHBondContact O-N 2.83Å
415L91.6Very high83.6Confident76 Ų7668.3 Ų68.340%0.39839%0.39SS..EExtended strand (participates in β ladder)trans-68.1113.7175-176.164.6000110P365 R400 I402P365-L415 HydrophobicContact CG-CD2 4.42Å; R400-L415 HydrophobicContact CB-CD1 4.05Å; R400-L415 HydrophobicContact CG-CD1 4.34Å; I402-L415 HydrophobicContact CG2-CB 4.42Å; I402-L415 HydrophobicContact CG2-CD1 4.1Å
416F90Very high84.5Confident44 Ų4465.5 Ų65.519%0.19338%0.377CS..EExtended strand (participates in β ladder)trans-88.5-47.7179.9-178-97.9000111.8V401 V403 Q414 M457 I458 T460V401-F416 HydrophobicContact CG1-CB 4.43Å; V401-F416 WeakPolarHBondContact O-CB 3.42Å; V401-F416 PolarHBondContact O-N 3.24Å; V403-F416 HydrophobicContact CG1-CB 3.98Å; V403-F416 HydrophobicContact CG1-CD2 4.46Å; V403-F416 HydrophobicContact CG1-CG 4.24Å; V403-F416 HydrophobicContact CG2-CB 4.14Å; V403-F416 HydrophobicContact CG2-CD2 4.26Å; Q414-F416 PolarHBondContact O-N 2.83Å; F416-M457 HydrophobicContact CE2-CE 4.5Å; F416-I458 HydrophobicContact CD1-CG2 3.92Å; F416-I458 HydrophobicContact CD2-CG2 4.28Å; F416-I458 HydrophobicContact CE1-CB 4.4Å; F416-I458 HydrophobicContact CE1-CD1 4.37Å; F416-I458 HydrophobicContact CE1-CG1 3.93Å; F416-I458 HydrophobicContact CE1-CG2 3.83Å; F416-I458 HydrophobicContact CE2-CG2 4.19Å; F416-I458 WeakPolarHBondContact CE2-O 3.38Å; F416-I458 HydrophobicContact CG-CG2 4.15Å; F416-I458 HydrophobicContact CZ-CG1 4.38Å; F416-I458 HydrophobicContact CZ-CG2 3.98Å; F416-I458 WeakPolarHBondContact CZ-O 3.26Å; F416-T460 HydrophobicContact CE1-CG2 4.43Å; F416-T460 HydrophobicContact CE2-CG2 4.13Å; F416-T460 HydrophobicContact CZ-CG2 3.67Å
417Q90.8Very high85.6Confident65 Ų6567.8 Ų67.830%0.30439%0.391SS..EExtended strand (participates in β ladder)trans-151.6149.6-177-172.656.653.200112R400 V401 F419R400-Q417 WeakPolarHBondContact CA-O 3.49Å; V401-Q417 PolarHBondContact N-O 3.36Å; V401-Q417 PolarHBondContact O-N 2.88Å; Q417-F419 HydrophobicContact CB-CE2 4.1Å; Q417-F419 HydrophobicContact CB-CZ 4.27Å; Q417-F419 HydrophobicContact CG-CD1 4.43Å; Q417-F419 HydrophobicContact CG-CD2 4.12Å; Q417-F419 HydrophobicContact CG-CE1 3.87Å; Q417-F419 HydrophobicContact CG-CE2 3.53Å; Q417-F419 HydrophobicContact CG-CZ 3.39Å
418T93.4Very high86.8Confident43 Ų4363.2 Ų63.226%0.26437%0.368SS..EExtended strand (participates in β ladder)trans-124141.2169.2-65.50000110.4T398 V399 R400T398-T418 HydrophobicContact CG2-CG2 3.57Å; V399-T418 CarbonylContact O-C 3.59Å; R400-T418 HydrophobicContact CG-CG2 4.07Å
419F92.4Very high88.2Confident8 Ų861 Ų614%0.03535%0.354CS..EExtended strand (participates in β ladder)trans-129.5103.3174.7-46.8-98.2000108.9V399 V401 Q417 V421 L436 W449V399-F419 HydrophobicContact CB-CB 4.26Å; V399-F419 HydrophobicContact CB-CD2 4.35Å; V399-F419 HydrophobicContact CG1-CD2 4.13Å; V399-F419 PolarHBondContact N-O 2.76Å; V399-F419 PolarHBondContact O-N 2.98Å; V401-F419 HydrophobicContact CG2-CE2 4.27Å; Q417-F419 HydrophobicContact CB-CE2 4.1Å; Q417-F419 HydrophobicContact CB-CZ 4.27Å; Q417-F419 HydrophobicContact CG-CD1 4.43Å; Q417-F419 HydrophobicContact CG-CD2 4.12Å; Q417-F419 HydrophobicContact CG-CE1 3.87Å; Q417-F419 HydrophobicContact CG-CE2 3.53Å; Q417-F419 HydrophobicContact CG-CZ 3.39Å; F419-V421 HydrophobicContact CB-CG1 3.9Å; F419-V421 HydrophobicContact CB-CG2 4.18Å; F419-V421 PolarHBondContact O-N 2.69Å; F419-L436 HydrophobicContact CD2-CD2 4.3Å; F419-L436 HydrophobicContact CE2-CD2 3.66Å; F419-L436 HydrophobicContact CZ-CD2 4.16Å; F419-W449 HydrophobicContact CB-CZ2 4.29Å; F419-W449 AromaticContact CD1-CE2 3.95Å; F419-W449 HydrophobicContact CD1-CZ2 4.33Å; F419-W449 AromaticContact CD1-NE1 3.64Å; F419-W449 AromaticContact CE1-CD1 3.87Å; F419-W449 HydrophobicContact CE1-CG 4.35Å; F419-W449 AromaticContact CE1-NE1 3.8Å; F419-W449 HydrophobicContact CG-CZ2 4.4Å
420S91.2Very high89.8Confident96 Ų9657.6 Ų57.667%0.67133%0.332SS*.EExtended strand (participates in β ladder)trans-87.889.1173.6-57.70000109.4
421V85.4Confident91.3Very high24 Ų2453.4 Ų53.415%0.14529%0.289CS..  trans-133.8-26.2-160.8-67.10000115.5V399 F419 R447 W449V399-V421 HydrophobicContact CG2-CG2 4.32Å; F419-V421 HydrophobicContact CB-CG1 3.9Å; F419-V421 HydrophobicContact CB-CG2 4.18Å; F419-V421 PolarHBondContact O-N 2.69Å; V421-R447 PolarHBondContact O-NE 2.92Å; V421-R447 PolarHBondContact O-NH2 2.99Å; V421-W449 HydrophobicContact CB-CZ2 4.36Å; V421-W449 HydrophobicContact CG1-CZ2 4.16Å; V421-W449 HydrophobicContact CG2-CH2 3.82Å; V421-W449 HydrophobicContact CG2-CZ2 3.82Å
422H94.4Very high92.3Very high14 Ų1450.4 Ų50.47%0.06527%0.268CS..  trans-96.7165170.9-62.6-64000110.1G397 S438 C440 H445G397-H422 WeakPolarHBondContact O-CB 3.3Å; G397-H422 PolarHBondContact O-N 3.33Å; H422-S438 PolarHBondContact NE2-OG 3.45Å; H422-C440 HydrophobicContact CB-CB 3.75Å; H422-C440 PolarHBondContact ND1-SG 3Å; H422-C440 VanDerWaalsContact ND1-SG 3.35Å; H422-H445 PolarHBondContact CE1-O 2.76Å; H422-H445 VanDerWaalsContact CE1-O 3.3Å; H422-H445 AromaticContact ND1-ND1 3.67Å
423R94.2Very high92.6Very high246 Ų24652.3 Ų52.393%0.92826%0.264SS*.SBendtrans-115.211.9175.3-65.6-177.1176.2177.7-1.6112.5
424S95.7Very high92.6Very high35 Ų3556.4 Ų56.425%0.24528%0.281CS..SBendtrans-150.3156.7-172.1-52.60000108.3G397 V426G397-S424 WeakPolarHBondContact CA-O 3.26Å; S424-V426 PolarHBondContact O-N 2.92Å
425P96.5Very high92.7Very high56 Ų5651.8 Ų51.836%0.36426%0.26SS..  trans-49.2136.4-176.9-28.633.1000113.5S395 T427 C440 A441S395-P425 WeakPolarHBondContact O-CA 3.49Å; S395-P425 WeakPolarHBondContact O-CG 3.49Å; P425-T427 PolarHBondContact O-N 2.88Å; P425-C440 CarbonylContact O-C 3.49Å; P425-C440 WeakPolarHBondContact O-CA 3.43Å; P425-C440 VanDerWaalsContact O-CB 3.28Å; P425-C440 WeakPolarHBondContact O-CB 3.24Å; P425-A441 PolarHBondContact O-N 3.41Å
426V96.8Very high92.8Very high0 Ų048.4 Ų48.40%024%0.242CC..EExtended strand (participates in β ladder)trans-75.8109.9173.9-171.10000108.2T371 A372 T394 V399 S424 I429 V439T371-V426 CarbonylContact C-O 3.52Å; T371-V426 VanDerWaalsContact CB-O 3.3Å; T371-V426 WeakPolarHBondContact CB-O 3.46Å; T371-V426 PolarHBondContact OG1-O 3.26Å; A372-V426 HydrophobicContact CB-CG1 4.08Å; A372-V426 WeakPolarHBondContact CB-O 3.44Å; T394-V426 PolarHBondContact O-N 3.24Å; T394-V426 VanDerWaalsContact O-N 3.16Å; V399-V426 HydrophobicContact CG2-CG1 4.49Å; V399-V426 HydrophobicContact CG2-CG2 4.07Å; S424-V426 PolarHBondContact O-N 2.92Å; V426-I429 HydrophobicContact CG1-CD1 3.86Å; V426-I429 HydrophobicContact CG1-CG1 3.9Å; V426-V439 CarbonylContact C-O 3.56Å; V426-V439 WeakPolarHBondContact CA-O 3.18Å; V426-V439 WeakPolarHBondContact CG1-O 3.32Å
427T94.3Very high93.1Very high70 Ų7046.3 Ų46.343%0.42923%0.233SC..EExtended strand (participates in β ladder)trans-86.6-22.9-17750.70000112.8P425 V439 A441P425-T427 PolarHBondContact O-N 2.88Å; T427-V439 PolarHBondContact N-O 3.28Å; T427-V439 PolarHBondContact OG1-O 2.96Å; T427-A441 HydrophobicContact CG2-CB 3.89Å
428K94.9Very high93.4Very high55 Ų5543.2 Ų43.224%0.23922%0.219CC..EExtended strand (participates in β ladder)trans-154144179.4-147.1149.7179.8177.80112.1S438 V439 E489 G491K428-S438 CarbonylContact O-C 3.59Å; K428-S438 WeakPolarHBondContact O-CA 3.33Å; K428-V439 HydrophobicContact CB-CB 4.07Å; K428-V439 HydrophobicContact CB-CG2 4.12Å; K428-V439 PolarHBondContact N-O 2.85Å; K428-V439 PolarHBondContact O-N 2.82Å; K428-E489 IonicContact NZ-OE2 3.15Å; K428-E489 PolarHBondContact NZ-OE2 3.43Å; K428-G491 VanDerWaalsContact CD-O 3.23Å; K428-G491 WeakPolarHBondContact CD-O 3.41Å; K428-G491 WeakPolarHBondContact CE-O 3.28Å; K428-G491 PolarHBondContact NZ-O 3.44Å
429I95.9Very high93.5Very high8 Ų841.3 Ų41.34%0.04121%0.207CC..EExtended strand (participates in β ladder)trans-136.5150.2172.6-95.6166.9000108.9A372 A391 Y392 V399 V426 L436 I437A372-I429 HydrophobicContact CB-CB 4.17Å; A391-I429 HydrophobicContact CB-CG2 3.61Å; Y392-I429 VanDerWaalsContact O-CD1 3.3Å; Y392-I429 WeakPolarHBondContact O-CD1 3.48Å; V399-I429 HydrophobicContact CB-CD1 4.42Å; V399-I429 HydrophobicContact CG1-CD1 3.77Å; V399-I429 HydrophobicContact CG2-CD1 4.18Å; V426-I429 HydrophobicContact CG1-CD1 3.86Å; V426-I429 HydrophobicContact CG1-CG1 3.9Å; I429-L436 HydrophobicContact CG2-CD1 4.46Å; I429-I437 CarbonylContact C-O 3.59Å; I429-I437 VanDerWaalsContact CA-O 3.29Å; I429-I437 WeakPolarHBondContact CA-O 3.1Å
430M95.6Very high93.6Very high30 Ų3041 Ų4115%0.14821%0.206CC..EExtended strand (participates in β ladder)trans-141.5125.2171.1-175.159.160.900109.1I437 P492 R496 Q500M430-I437 HydrophobicContact CB-CB 4.37Å; M430-I437 HydrophobicContact CB-CD1 4.49Å; M430-I437 PolarHBondContact N-O 3.34Å; M430-I437 PolarHBondContact O-N 2.79Å; M430-P492 HydrophobicContact CB-CG 3.7Å; M430-P492 HydrophobicContact CE-CG 4.49Å; M430-P492 HydrophobicContact CG-CG 4.08Å; M430-R496 HydrophobicContact SD-CG 4.04Å; M430-Q500 VanDerWaalsContact CG-OE1 3.31Å
431L93.6Very high93.6Very high0 Ų039.1 Ų39.10%020%0.196CC..EExtended strand (participates in β ladder)trans-103.1123.9170.6-174.758.4000109.4S374 Y376 E389 A391 L436 V451S374-L431 PolarHBondContact OG-N 2.96Å; Y376-L431 HydrophobicContact CG-CG 4.44Å; E389-L431 HydrophobicContact CB-CD2 3.74Å; A391-L431 HydrophobicContact CB-CB 3.99Å; A391-L431 HydrophobicContact CB-CD2 4.23Å; L431-L436 HydrophobicContact CD1-CB 4.35Å; L431-L436 HydrophobicContact CD1-CD1 4.34Å; L431-V451 HydrophobicContact CD1-CG2 4.03Å
432S91.7Very high93.8Very high1 Ų140.8 Ų40.81%0.00720%0.204CC..  trans-117.9169.8-173.9152.70000110.3K434 H435 R453 R496S432-K434 PolarHBondContact O-N 3.46Å; S432-K434 PolarHBondContact OG-N 3.24Å; S432-H435 WeakPolarHBondContact CA-O 3.45Å; S432-H435 VanDerWaalsContact CB-O 3.3Å; S432-H435 WeakPolarHBondContact CB-O 3.33Å; S432-H435 PolarHBondContact N-O 2.82Å; S432-H435 PolarHBondContact OG-N 2.9Å; S432-R453 PolarHBondContact O-NH1 3.12Å; S432-R453 PolarHBondContact O-NH2 2.98Å; S432-R496 CarbonylContact C-O 3.59Å; S432-R496 VanDerWaalsContact CA-O 3.25Å; S432-R496 WeakPolarHBondContact CA-O 3.38Å; S432-R496 WeakPolarHBondContact CB-O 3.5Å; S432-R496 PolarHBondContact OG-O 2.86Å
433E86.9Confident93.5Very high86 Ų8644.4 Ų44.440%0.40222%0.224SC..SBendtrans-55.7-41.7166.2-166.9-154.1-157.700110.6Y376 R453 R496 D497Y376-E433 HydrophobicContact CE2-CB 4.31Å; Y376-E433 WeakPolarHBondContact OH-CB 3.38Å; E433-R453 VanDerWaalsContact CA-NH1 3.32Å; E433-R453 PolarHBondContact O-NH1 2.67Å; E433-R496 PolarHBondContact N-O 3.07Å; E433-D497 HydrophobicContact CB-CB 4.38Å
434K88.5Confident93.4Very high95 Ų9534.7 Ų34.741%0.41319%0.19SC..SBendtrans-108.1-19.8-167.8-60.7176-18068.30114.3S432 V451 D497S432-K434 PolarHBondContact O-N 3.46Å; S432-K434 PolarHBondContact OG-N 3.24Å; K434-V451 PolarHBondContact O-N 3.02Å; K434-D497 PolarHBondContact NZ-O 2.95Å
435H92.4Very high93.3Very high36 Ų3634.2 Ų34.217%0.16718%0.184CC..EExtended strand (participates in β ladder)trans-140.6153.6-173.7-57.597000113.9S432 I437 T448 W449 V451 S519S432-H435 WeakPolarHBondContact CA-O 3.45Å; S432-H435 VanDerWaalsContact CB-O 3.3Å; S432-H435 WeakPolarHBondContact CB-O 3.33Å; S432-H435 PolarHBondContact N-O 2.82Å; S432-H435 PolarHBondContact OG-N 2.9Å; H435-I437 HydrophobicContact CB-CD1 4.37Å; H435-I437 HydrophobicContact CB-CG1 4.19Å; H435-T448 HydrophobicContact CB-CG2 4.01Å; H435-W449 CarbonylContact C-O 3.6Å; H435-W449 VanDerWaalsContact CA-O 3.27Å; H435-W449 WeakPolarHBondContact CA-O 3.1Å; H435-V451 VanDerWaalsContact C-CG2 3.43Å; H435-S519 WeakPolarHBondContact NE2-CB 3.34Å
436L94.6Very high93.3Very high4 Ų431.6 Ų31.62%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-109126.7156.8170.461.6000106.4A391 V399 V401 F419 I429 L431 T448 W449 V451A391-L436 HydrophobicContact CB-CD1 3.57Å; V399-L436 HydrophobicContact CG1-CD2 4.19Å; V401-L436 HydrophobicContact CG2-CD2 3.95Å; F419-L436 HydrophobicContact CD2-CD2 4.3Å; F419-L436 HydrophobicContact CE2-CD2 3.66Å; F419-L436 HydrophobicContact CZ-CD2 4.16Å; I429-L436 HydrophobicContact CG2-CD1 4.46Å; L431-L436 HydrophobicContact CD1-CB 4.35Å; L431-L436 HydrophobicContact CD1-CD1 4.34Å; L436-T448 CarbonylContact O-C 3.58Å; L436-T448 WeakPolarHBondContact O-CA 3.19Å; L436-W449 HydrophobicContact CB-CE3 4.26Å; L436-W449 HydrophobicContact CD2-CE3 4.06Å; L436-W449 HydrophobicContact CG-CE3 3.9Å; L436-W449 HydrophobicContact CG-CZ3 4.33Å; L436-W449 PolarHBondContact N-O 3.2Å; L436-W449 PolarHBondContact O-N 3.27Å; L436-V451 HydrophobicContact CB-CG2 3.81Å
437I96Very high93.3Very high1 Ų134.3 Ų34.31%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-120.8139.4179.8-59.2151.7000108.1I429 M430 H435 V446 T448 P492 F502 S518I429-I437 CarbonylContact C-O 3.59Å; I429-I437 VanDerWaalsContact CA-O 3.29Å; I429-I437 WeakPolarHBondContact CA-O 3.1Å; M430-I437 HydrophobicContact CB-CB 4.37Å; M430-I437 HydrophobicContact CB-CD1 4.49Å; M430-I437 PolarHBondContact N-O 3.34Å; M430-I437 PolarHBondContact O-N 2.79Å; H435-I437 HydrophobicContact CB-CD1 4.37Å; H435-I437 HydrophobicContact CB-CG1 4.19Å; I437-V446 HydrophobicContact CG2-CG1 3.95Å; I437-T448 HydrophobicContact CG1-CG2 3.74Å; I437-P492 HydrophobicContact CD1-CG 4.46Å; I437-F502 HydrophobicContact CG2-CE2 4.31Å; I437-F502 HydrophobicContact CG2-CZ 3.86Å; I437-S518 WeakPolarHBondContact CD1-OG 3.46Å
438S96.4Very high93.3Very high0 Ų031 Ų310%016%0.157CC..EExtended strand (participates in β ladder)trans-135.6144.5174.1650000110.6H422 K428 V446 R447 W449H422-S438 PolarHBondContact NE2-OG 3.45Å; K428-S438 CarbonylContact O-C 3.59Å; K428-S438 WeakPolarHBondContact O-CA 3.33Å; S438-V446 CarbonylContact O-C 3.58Å; S438-V446 VanDerWaalsContact O-CA 3.29Å; S438-V446 WeakPolarHBondContact O-CA 3.12Å; S438-R447 PolarHBondContact N-O 3.2Å; S438-R447 PolarHBondContact O-N 3.09Å; S438-R447 PolarHBondContact OG-O 2.86Å; S438-W449 WeakPolarHBondContact OG-CH2 3.25Å; S438-W449 VanDerWaalsContact OG-CZ3 3.28Å; S438-W449 WeakPolarHBondContact OG-CZ3 3.31Å
439V96.6Very high93.2Very high2 Ų228.5 Ų28.51%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-127.5136174.9-167.80000107.9V426 T427 K428 N444 H445 V446 I490 F502V426-V439 CarbonylContact C-O 3.56Å; V426-V439 WeakPolarHBondContact CA-O 3.18Å; V426-V439 WeakPolarHBondContact CG1-O 3.32Å; T427-V439 PolarHBondContact N-O 3.28Å; T427-V439 PolarHBondContact OG1-O 2.96Å; K428-V439 HydrophobicContact CB-CB 4.07Å; K428-V439 HydrophobicContact CB-CG2 4.12Å; K428-V439 PolarHBondContact N-O 2.85Å; K428-V439 PolarHBondContact O-N 2.82Å; V439-N444 HydrophobicContact CG1-CB 3.9Å; V439-H445 WeakPolarHBondContact CA-O 3.22Å; V439-V446 HydrophobicContact CG1-CG2 4.44Å; V439-V446 HydrophobicContact CG2-CG2 4.21Å; V439-I490 HydrophobicContact CG1-CD1 4.41Å; V439-F502 HydrophobicContact CG2-CE1 3.9Å; V439-F502 HydrophobicContact CG2-CZ 3.97Å
440C94.1Very high93Very high2 Ų231.2 Ų31.21%0.01416%0.163CC..EExtended strand (participates in β ladder)trans-117.8164.5172.378.40000113H422 P425 D442 N444 H445H422-C440 HydrophobicContact CB-CB 3.75Å; H422-C440 PolarHBondContact ND1-SG 3Å; H422-C440 VanDerWaalsContact ND1-SG 3.35Å; P425-C440 CarbonylContact O-C 3.49Å; P425-C440 WeakPolarHBondContact O-CA 3.43Å; P425-C440 VanDerWaalsContact O-CB 3.28Å; P425-C440 WeakPolarHBondContact O-CB 3.24Å; C440-D442 PolarHBondContact O-N 3.02Å; C440-D442 VanDerWaalsContact O-N 3.16Å; C440-N444 WeakPolarHBondContact O-CA 3.24Å; C440-H445 PolarHBondContact N-O 3Å; C440-H445 VanDerWaalsContact N-O 3.1Å; C440-H445 PolarHBondContact O-N 3.08Å
441A91.8Very high92.6Very high56 Ų5630.1 Ų30.146%0.46316%0.158SC..THydrogen-bonded Turntrans-62.2-18-175.500000115.3P425 T427 N443P425-A441 PolarHBondContact O-N 3.41Å; T427-A441 HydrophobicContact CG2-CB 3.89Å; A441-N443 PolarHBondContact O-N 2.87Å
442D89.4Confident92.2Very high59 Ų5932.9 Ų32.932%0.31618%0.175SC..THydrogen-bonded Turntrans-70.592.2173170.825.2000110.6C440 N444 H445 K471C440-D442 PolarHBondContact O-N 3.02Å; C440-D442 VanDerWaalsContact O-N 3.16Å; D442-N444 PolarHBondContact O-N 2.88Å; D442-N444 VanDerWaalsContact O-N 3.12Å; D442-H445 VanDerWaalsContact O-CB 3.31Å; D442-H445 WeakPolarHBondContact O-CB 3.42Å; D442-H445 PolarHBondContact O-N 3.41Å; D442-K471 IonicContact OD1-NZ 3.84Å; D442-K471 PolarHBondContact OD1-NZ 2.69Å; D442-K471 IonicContact OD2-NZ 2.81Å; D442-K471 PolarHBondContact OD2-NZ 2.66Å
443N87.1Confident91.8Very high90 Ų9035.7 Ų35.748%0.48119%0.185SC..THydrogen-bonded Turntrans51.637.7173.7-66.6-93.4000113.1A441 H445 K471 L473A441-N443 PolarHBondContact O-N 2.87Å; N443-H445 PolarHBondContact O-N 2.94Å; N443-K471 HydrophobicContact CB-CD 3.7Å; N443-K471 HydrophobicContact CB-CG 4.5Å; N443-L473 HydrophobicContact CB-CD2 3.94Å
444N92.7Very high91.3Very high43 Ų4338.2 Ų38.223%0.2320%0.195CC..THydrogen-bonded Turntrans47.453.1-171.5-54.8-49000112.5V439 C440 D442 V446 I472 I490V439-N444 HydrophobicContact CG1-CB 3.9Å; C440-N444 WeakPolarHBondContact O-CA 3.24Å; D442-N444 PolarHBondContact O-N 2.88Å; D442-N444 VanDerWaalsContact O-N 3.12Å; N444-V446 WeakPolarHBondContact O-CG2 3.05Å; N444-V446 PolarHBondContact O-N 2.85Å; N444-I472 HydrophobicContact CB-CB 4.05Å; N444-I472 WeakPolarHBondContact CB-O 3.46Å; N444-I472 PolarHBondContact ND2-O 2.93Å; N444-I472 PolarHBondContact O-N 2.98Å; N444-I490 HydrophobicContact CB-CD1 3.75Å
445H94.3Very high90.7Very high25 Ų2544.3 Ų44.312%0.11622%0.216CC..EExtended strand (participates in β ladder)trans-69112.9176.6-178.1-138.3000110.2H422 V439 C440 D442 N443 S469 F470 K471H422-H445 PolarHBondContact CE1-O 2.76Å; H422-H445 VanDerWaalsContact CE1-O 3.3Å; H422-H445 AromaticContact ND1-ND1 3.67Å; V439-H445 WeakPolarHBondContact CA-O 3.22Å; C440-H445 PolarHBondContact N-O 3Å; C440-H445 VanDerWaalsContact N-O 3.1Å; C440-H445 PolarHBondContact O-N 3.08Å; D442-H445 VanDerWaalsContact O-CB 3.31Å; D442-H445 WeakPolarHBondContact O-CB 3.42Å; D442-H445 PolarHBondContact O-N 3.41Å; N443-H445 PolarHBondContact O-N 2.94Å; H445-S469 PolarHBondContact NE2-OG 2.9Å; H445-F470 PolarHBondContact CD2-O 2.82Å; H445-K471 HydrophobicContact CB-CG 4.17Å
446V96.4Very high89.6Confident0 Ų043.3 Ų43.30%022%0.216CC..EExtended strand (participates in β ladder)trans-91.6135179.4-169.90000110I437 S438 V439 N444 S469 F470 I472 F502I437-V446 HydrophobicContact CG2-CG1 3.95Å; S438-V446 CarbonylContact O-C 3.58Å; S438-V446 VanDerWaalsContact O-CA 3.29Å; S438-V446 WeakPolarHBondContact O-CA 3.12Å; V439-V446 HydrophobicContact CG1-CG2 4.44Å; V439-V446 HydrophobicContact CG2-CG2 4.21Å; N444-V446 WeakPolarHBondContact O-CG2 3.05Å; N444-V446 PolarHBondContact O-N 2.85Å; V446-S469 WeakPolarHBondContact O-CA 3.49Å; V446-F470 WeakPolarHBondContact CA-O 3.47Å; V446-F470 HydrophobicContact CB-CD2 4.01Å; V446-F470 HydrophobicContact CB-CE1 4.27Å; V446-F470 HydrophobicContact CB-CE2 3.68Å; V446-F470 HydrophobicContact CB-CG 4.44Å; V446-F470 HydrophobicContact CB-CZ 3.83Å; V446-F470 WeakPolarHBondContact CB-O 3.37Å; V446-F470 HydrophobicContact CG1-CE1 4.13Å; V446-F470 HydrophobicContact CG1-CE2 3.97Å; V446-F470 HydrophobicContact CG1-CZ 3.65Å; V446-F470 HydrophobicContact CG2-CD2 4.09Å; V446-F470 HydrophobicContact CG2-CE2 3.68Å; V446-F470 HydrophobicContact CG2-CZ 4.25Å; V446-F470 PolarHBondContact N-O 2.87Å; V446-F470 PolarHBondContact O-N 3Å; V446-F470 VanDerWaalsContact O-N 3.09Å; V446-I472 HydrophobicContact CG2-CG1 3.79Å; V446-F502 HydrophobicContact CG1-CE2 3.78Å; V446-F502 HydrophobicContact CG1-CZ 3.77Å; V446-F502 HydrophobicContact CG2-CE1 4.36Å; V446-F502 HydrophobicContact CG2-CE2 4.09Å; V446-F502 HydrophobicContact CG2-CZ 3.89Å
447R95.2Very high88.6Confident57 Ų5746.2 Ų46.222%0.21523%0.23CC..EExtended strand (participates in β ladder)trans-126.4136163-69174.8-178.8-968109.6V421 S438 W449 P466V421-R447 PolarHBondContact O-NE 2.92Å; V421-R447 PolarHBondContact O-NH2 2.99Å; S438-R447 PolarHBondContact N-O 3.2Å; S438-R447 PolarHBondContact O-N 3.09Å; S438-R447 PolarHBondContact OG-O 2.86Å; R447-W449 HydrophobicContact CB-CH2 3.53Å; R447-W449 HydrophobicContact CB-CZ2 4.03Å; R447-W449 HydrophobicContact CB-CZ3 3.99Å; R447-W449 WeakPolarHBondContact O-CZ3 3.4Å; R447-P466 HydrophobicContact CB-CB 4.23Å; R447-P466 HydrophobicContact CG-CG 4.41Å
448T95Very high87.8Confident0 Ų046.4 Ų46.40%023%0.231CC..EExtended strand (participates in β ladder)trans-127.6137.1-179.3-56.20000110.6H435 L436 I437 P466 L467 T468 S518H435-T448 HydrophobicContact CB-CG2 4.01Å; L436-T448 CarbonylContact O-C 3.58Å; L436-T448 WeakPolarHBondContact O-CA 3.19Å; I437-T448 HydrophobicContact CG1-CG2 3.74Å; T448-P466 CarbonylContact O-C 3.56Å; T448-P466 WeakPolarHBondContact O-CA 3.18Å; T448-P466 VanDerWaalsContact O-CB 3.27Å; T448-P466 WeakPolarHBondContact O-CB 3.22Å; T448-L467 WeakPolarHBondContact O-CB 3.23Å; T448-L467 PolarHBondContact O-N 3.36Å; T448-T468 PolarHBondContact N-O 2.95Å; T448-T468 PolarHBondContact O-N 3.07Å; T448-S518 PolarHBondContact OG1-O 3.3Å
449W93.3Very high86.8Confident3 Ų347.7 Ų47.71%0.01124%0.24CC..EExtended strand (participates in β ladder)trans-119148172.6-57.3-104.2000109.8F419 V421 H435 L436 S438 R447 G463 S464 P466F419-W449 HydrophobicContact CB-CZ2 4.29Å; F419-W449 AromaticContact CD1-CE2 3.95Å; F419-W449 HydrophobicContact CD1-CZ2 4.33Å; F419-W449 AromaticContact CD1-NE1 3.64Å; F419-W449 AromaticContact CE1-CD1 3.87Å; F419-W449 HydrophobicContact CE1-CG 4.35Å; F419-W449 AromaticContact CE1-NE1 3.8Å; F419-W449 HydrophobicContact CG-CZ2 4.4Å; V421-W449 HydrophobicContact CB-CZ2 4.36Å; V421-W449 HydrophobicContact CG1-CZ2 4.16Å; V421-W449 HydrophobicContact CG2-CH2 3.82Å; V421-W449 HydrophobicContact CG2-CZ2 3.82Å; H435-W449 CarbonylContact C-O 3.6Å; H435-W449 VanDerWaalsContact CA-O 3.27Å; H435-W449 WeakPolarHBondContact CA-O 3.1Å; L436-W449 HydrophobicContact CB-CE3 4.26Å; L436-W449 HydrophobicContact CD2-CE3 4.06Å; L436-W449 HydrophobicContact CG-CE3 3.9Å; L436-W449 HydrophobicContact CG-CZ3 4.33Å; L436-W449 PolarHBondContact N-O 3.2Å; L436-W449 PolarHBondContact O-N 3.27Å; S438-W449 WeakPolarHBondContact OG-CH2 3.25Å; S438-W449 VanDerWaalsContact OG-CZ3 3.28Å; S438-W449 WeakPolarHBondContact OG-CZ3 3.31Å; R447-W449 HydrophobicContact CB-CH2 3.53Å; R447-W449 HydrophobicContact CB-CZ2 4.03Å; R447-W449 HydrophobicContact CB-CZ3 3.99Å; R447-W449 WeakPolarHBondContact O-CZ3 3.4Å; W449-G463 VanDerWaalsContact CD1-O 3.27Å; W449-S464 PolarHBondContact NE1-O 2.93Å; W449-S464 VanDerWaalsContact NE1-O 3.13Å; W449-P466 VanDerWaalsContact CD1-CA 3.48Å; W449-P466 HydrophobicContact CD2-CB 4.22Å; W449-P466 HydrophobicContact CG-CB 4.39Å; W449-P466 HydrophobicContact CZ2-CB 4.14Å
450T90.9Very high84.9Confident65 Ų6552.6 Ų52.640%0.39927%0.27SS..EExtended strand (participates in β ladder)trans-70.8130.5167.6-47.90000109.5T452 P462T450-T452 HydrophobicContact CG2-CG2 4.42Å; T450-P462 WeakPolarHBondContact O-CB 3.46Å; T450-P462 WeakPolarHBondContact O-CG 3.44Å
451V88.1Confident82.9Confident8 Ų860.3 Ų60.35%0.04831%0.306CS..  trans-99134.5170.7168.60000108.7L431 K434 H435 L436 I458L431-V451 HydrophobicContact CD1-CG2 4.03Å; K434-V451 PolarHBondContact O-N 3.02Å; H435-V451 VanDerWaalsContact C-CG2 3.43Å; L436-V451 HydrophobicContact CB-CG2 3.81Å; V451-I458 HydrophobicContact CG1-CD1 3.96Å; V451-I458 HydrophobicContact CG1-CG1 4.18Å; V451-I458 HydrophobicContact CG2-CD1 4.28Å
452T85.1Confident81.1Confident58 Ų5858.4 Ų58.436%0.35629%0.288SS..  trans-125.8142.2172.7580000108.7T450 S459T450-T452 HydrophobicContact CG2-CG2 4.42Å; T452-S459 PolarHBondContact O-N 2.9Å
453R83.4Confident79.8Confident59 Ų5957.3 Ų57.322%0.22329%0.292CS..EExtended strand (participates in β ladder)trans-116.7132.6175.8-64-170.4-179.2702.5110.8E389 S432 E433 M457E389-R453 VanDerWaalsContact CD-NE 3.33Å; E389-R453 IonicContact OE1-NE 3.76Å; E389-R453 PolarHBondContact OE1-NE 3.02Å; E389-R453 VanDerWaalsContact OE1-NE 3.07Å; E389-R453 IonicContact OE2-CZ 3.62Å; E389-R453 IonicContact OE2-NE 2.63Å; E389-R453 PolarHBondContact OE2-NE 3.33Å; E389-R453 IonicContact OE2-NH2 2.69Å; E389-R453 PolarHBondContact OE2-NH2 3.06Å; S432-R453 PolarHBondContact O-NH1 3.12Å; S432-R453 PolarHBondContact O-NH2 2.98Å; E433-R453 VanDerWaalsContact CA-NH1 3.32Å; E433-R453 PolarHBondContact O-NH1 2.67Å; R453-M457 CarbonylContact C-O 3.6Å; R453-M457 WeakPolarHBondContact CA-O 3.36Å; R453-M457 WeakPolarHBondContact CB-O 3.18Å
454F76.9Confident79Confident140 Ų14057.1 Ų57.161%0.61430%0.297SS*.EExtended strand (participates in β ladder)trans-111.7122.2173.6-176.5-106.2000108.6G456 M457F454-G456 PolarHBondContact O-N 2.91Å; F454-G456 VanDerWaalsContact O-N 3.13Å; F454-M457 PolarHBondContact N-O 3.15Å; F454-M457 PolarHBondContact O-N 2.76Å; F454-M457 VanDerWaalsContact O-N 3.15Å
455R75.5Confident78.5Confident222 Ų22260.2 Ų60.284%0.83832%0.318SS*.THydrogen-bonded Turntrans53.827.7-175.6-57.417561.795.31.5114.5
456G69.6Low78.1Confident16 Ų1660.6 Ų60.617%0.16532%0.323CS..THydrogen-bonded Turntrans94.1-13.4179.200000115.7T378 F454T378-G456 PolarHBondContact OG1-O 2.79Å; F454-G456 PolarHBondContact O-N 2.91Å; F454-G456 VanDerWaalsContact O-N 3.13Å
457M71.9Confident77.7Confident65 Ų6565.2 Ų65.232%0.3235%0.347SS..EExtended strand (participates in β ladder)trans-93.3140.2173.8-175.4-173.373.400110.6W387 F416 R453 F454 S459W387-M457 HydrophobicContact CD2-CB 4.48Å; W387-M457 HydrophobicContact CE3-CB 4.47Å; W387-M457 HydrophobicContact CE3-CG 4.16Å; W387-M457 HydrophobicContact CH2-CB 3.64Å; W387-M457 HydrophobicContact CH2-CG 3.36Å; W387-M457 HydrophobicContact CH2-SD 3.39Å; W387-M457 WeakPolarHBondContact CH2-SD 3.08Å; W387-M457 HydrophobicContact CZ2-CB 3.67Å; W387-M457 HydrophobicContact CZ2-CG 3.97Å; W387-M457 HydrophobicContact CZ2-SD 4.25Å; W387-M457 HydrophobicContact CZ3-CB 4.09Å; W387-M457 HydrophobicContact CZ3-CG 3.51Å; W387-M457 HydrophobicContact CZ3-SD 3.87Å; F416-M457 HydrophobicContact CE2-CE 4.5Å; R453-M457 CarbonylContact C-O 3.6Å; R453-M457 WeakPolarHBondContact CA-O 3.36Å; R453-M457 WeakPolarHBondContact CB-O 3.18Å; F454-M457 PolarHBondContact N-O 3.15Å; F454-M457 PolarHBondContact O-N 2.76Å; F454-M457 VanDerWaalsContact O-N 3.15Å; M457-S459 PolarHBondContact O-N 2.92Å
458I79.9Confident77.6Confident4 Ų464 Ų642%0.02135%0.346CS..EExtended strand (participates in β ladder)trans-48.5130.3163.8-172.8165.6000112.3E389 V401 V403 F416 V451E389-I458 WeakPolarHBondContact OE1-CB 3.43Å; E389-I458 PolarHBondContact OE1-N 3Å; V401-I458 HydrophobicContact CG1-CD1 4.49Å; V403-I458 HydrophobicContact CG1-CG2 3.63Å; F416-I458 HydrophobicContact CD1-CG2 3.92Å; F416-I458 HydrophobicContact CD2-CG2 4.28Å; F416-I458 HydrophobicContact CE1-CB 4.4Å; F416-I458 HydrophobicContact CE1-CD1 4.37Å; F416-I458 HydrophobicContact CE1-CG1 3.93Å; F416-I458 HydrophobicContact CE1-CG2 3.83Å; F416-I458 HydrophobicContact CE2-CG2 4.19Å; F416-I458 WeakPolarHBondContact CE2-O 3.38Å; F416-I458 HydrophobicContact CG-CG2 4.15Å; F416-I458 HydrophobicContact CZ-CG1 4.38Å; F416-I458 HydrophobicContact CZ-CG2 3.98Å; F416-I458 WeakPolarHBondContact CZ-O 3.26Å; V451-I458 HydrophobicContact CG1-CD1 3.96Å; V451-I458 HydrophobicContact CG1-CG1 4.18Å; V451-I458 HydrophobicContact CG2-CD1 4.28Å
459S76.3Confident77.5Confident28 Ų2867.3 Ų67.320%0.19637%0.369CS..PPolyproline II helixtrans-97.9161.3-176.8-171.70000110.8T452 M457 Q461 P462T452-S459 PolarHBondContact O-N 2.9Å; M457-S459 PolarHBondContact O-N 2.92Å; S459-Q461 PolarHBondContact O-N 3.05Å; S459-P462 WeakPolarHBondContact O-CD 3.34Å
460T55.4Low77.5Confident105 Ų10568.4 Ų68.464%0.64437%0.374SS*.SBendtrans-83.916.3-174.951.20000114.3F416 P462F416-T460 HydrophobicContact CE1-CG2 4.43Å; F416-T460 HydrophobicContact CE2-CG2 4.13Å; F416-T460 HydrophobicContact CZ-CG2 3.67Å; T460-P462 VanDerWaalsContact C-CD 3.45Å
461Q52.5Low77.6Confident163 Ų16368.7 Ų68.776%0.76237%0.369SS*.  trans-91.50.3176.7-67.1-158.3-0.100118S459 G463S459-Q461 PolarHBondContact O-N 3.05Å; Q461-G463 VanDerWaalsContact C-N 3.35Å; Q461-G463 PolarHBondContact O-N 2.71Å
462P53.5Low77.9Confident16 Ų1668.3 Ų68.310%0.10437%0.367CS..SBendtrans-63.698.8151.7-13.828000108.3T450 S459 T460T450-P462 WeakPolarHBondContact O-CB 3.46Å; T450-P462 WeakPolarHBondContact O-CG 3.44Å; S459-P462 WeakPolarHBondContact O-CD 3.34Å; T460-P462 VanDerWaalsContact C-CD 3.45Å
463G62.8Low78.1Confident37 Ų3768.4 Ų68.438%0.38137%0.365SS..  trans-57.7153.4169.400000110.5W449 Q461 T465W449-G463 VanDerWaalsContact CD1-O 3.27Å; Q461-G463 VanDerWaalsContact C-N 3.35Å; Q461-G463 PolarHBondContact O-N 2.71Å; G463-T465 PolarHBondContact O-N 2.79Å; G463-T465 VanDerWaalsContact O-N 3.15Å
464S69.4Low78.3Confident85 Ų8566.8 Ų66.859%0.59436%0.363SS*.SBendtrans-58.8-28.5177.654.10000112.6W449W449-S464 PolarHBondContact NE1-O 2.93Å; W449-S464 VanDerWaalsContact NE1-O 3.13Å
465T82.4Confident78.7Confident109 Ų10963.7 Ų63.767%0.66935%0.352SS*.SBendtrans-65121.5168.7510000111.8G463G463-T465 PolarHBondContact O-N 2.79Å; G463-T465 VanDerWaalsContact O-N 3.15Å
466P86Confident78.6Confident33 Ų3355 Ų5521%0.21432%0.323CS..  trans-67.115317330.3-35.9000111.9R447 T448 W449R447-P466 HydrophobicContact CB-CB 4.23Å; R447-P466 HydrophobicContact CG-CG 4.41Å; T448-P466 CarbonylContact O-C 3.56Å; T448-P466 WeakPolarHBondContact O-CA 3.18Å; T448-P466 VanDerWaalsContact O-CB 3.27Å; T448-P466 WeakPolarHBondContact O-CB 3.22Å; W449-P466 VanDerWaalsContact CD1-CA 3.48Å; W449-P466 HydrophobicContact CD2-CB 4.22Å; W449-P466 HydrophobicContact CG-CB 4.39Å; W449-P466 HydrophobicContact CZ2-CB 4.14Å
467L88.3Confident77.8Confident96 Ų9660.8 Ų60.850%0.50335%0.349SS..SBendtrans-61.8-43.7170.9179.367.8000111T448T448-L467 WeakPolarHBondContact O-CB 3.23Å; T448-L467 PolarHBondContact O-N 3.36Å
468T92.8Very high76.7Confident33 Ų3364.3 Ų64.320%0.20237%0.374CS..EExtended strand (participates in β ladder)trans-143.9159.8176.659.20000113.1T448 S519 N520T448-T468 PolarHBondContact N-O 2.95Å; T448-T468 PolarHBondContact O-N 3.07Å; T468-S519 PolarHBondContact OG1-O 2.99Å; T468-N520 HydrophobicContact CG2-CB 3.9Å
469S93.5Very high74.6Confident69 Ų6971 Ų7148%0.48341%0.411SS..EExtended strand (participates in β ladder)trans-145116179.6154.20000109H445 V446H445-S469 PolarHBondContact NE2-OG 2.9Å; V446-S469 WeakPolarHBondContact O-CA 3.49Å
470F94Very high73.1Confident25 Ų2573 Ų7311%0.1144%0.435CS..EExtended strand (participates in β ladder)trans-153.3162.3-176.557.8-91.1000111.7H445 V446 I472 F502H445-F470 PolarHBondContact CD2-O 2.82Å; V446-F470 WeakPolarHBondContact CA-O 3.47Å; V446-F470 HydrophobicContact CB-CD2 4.01Å; V446-F470 HydrophobicContact CB-CE1 4.27Å; V446-F470 HydrophobicContact CB-CE2 3.68Å; V446-F470 HydrophobicContact CB-CG 4.44Å; V446-F470 HydrophobicContact CB-CZ 3.83Å; V446-F470 WeakPolarHBondContact CB-O 3.37Å; V446-F470 HydrophobicContact CG1-CE1 4.13Å; V446-F470 HydrophobicContact CG1-CE2 3.97Å; V446-F470 HydrophobicContact CG1-CZ 3.65Å; V446-F470 HydrophobicContact CG2-CD2 4.09Å; V446-F470 HydrophobicContact CG2-CE2 3.68Å; V446-F470 HydrophobicContact CG2-CZ 4.25Å; V446-F470 PolarHBondContact N-O 2.87Å; V446-F470 PolarHBondContact O-N 3Å; V446-F470 VanDerWaalsContact O-N 3.09Å; F470-I472 HydrophobicContact CD2-CD1 4.21Å; F470-I472 HydrophobicContact CD2-CG1 4.4Å; F470-I472 HydrophobicContact CE2-CD1 3.95Å; F470-I472 HydrophobicContact CE2-CG1 4.16Å; F470-F502 HydrophobicContact CE2-CD2 4.18Å; F470-F502 HydrophobicContact CE2-CE2 4.22Å; F470-F502 HydrophobicContact CZ-CD2 4.3Å; F470-F502 HydrophobicContact CZ-CE2 4.08Å
471K92.6Very high71.9Confident71 Ų7177 Ų7731%0.30945%0.446SS..EExtended strand (participates in β ladder)trans-104.5146.9176.6-72.8-175.1163.2-169.90112.1D442 N443 H445 L473 R516D442-K471 IonicContact OD1-NZ 3.84Å; D442-K471 PolarHBondContact OD1-NZ 2.69Å; D442-K471 IonicContact OD2-NZ 2.81Å; D442-K471 PolarHBondContact OD2-NZ 2.66Å; N443-K471 HydrophobicContact CB-CD 3.7Å; N443-K471 HydrophobicContact CB-CG 4.5Å; H445-K471 HydrophobicContact CB-CG 4.17Å; K471-L473 HydrophobicContact CB-CD2 3.82Å; K471-L473 HydrophobicContact CB-CG 4.33Å; K471-L473 HydrophobicContact CD-CD2 4.16Å; K471-R516 PolarHBondContact O-NH1 3.1Å
472I93.4Very high71.2Confident1 Ų171.9 Ų71.91%0.00544%0.437CS..  trans-110.479.4169.7-60.7-68.3000107.6N444 V446 F470 S474 I490 F502 Q504N444-I472 HydrophobicContact CB-CB 4.05Å; N444-I472 WeakPolarHBondContact CB-O 3.46Å; N444-I472 PolarHBondContact ND2-O 2.93Å; N444-I472 PolarHBondContact O-N 2.98Å; V446-I472 HydrophobicContact CG2-CG1 3.79Å; F470-I472 HydrophobicContact CD2-CD1 4.21Å; F470-I472 HydrophobicContact CD2-CG1 4.4Å; F470-I472 HydrophobicContact CE2-CD1 3.95Å; F470-I472 HydrophobicContact CE2-CG1 4.16Å; I472-S474 PolarHBondContact O-N 3.02Å; I472-I490 HydrophobicContact CB-CD1 4Å; I472-I490 HydrophobicContact CG2-CB 4.05Å; I472-I490 HydrophobicContact CG2-CD1 3.81Å; I472-I490 HydrophobicContact CG2-CG2 4.08Å; I472-F502 HydrophobicContact CD1-CB 3.75Å; I472-F502 HydrophobicContact CD1-CD2 4.33Å; I472-F502 HydrophobicContact CD1-CG 4.05Å; I472-F502 HydrophobicContact CG1-CB 4.17Å; I472-F502 HydrophobicContact CG1-CD1 4.25Å; I472-F502 HydrophobicContact CG1-CD2 4.41Å; I472-F502 HydrophobicContact CG1-CG 4.04Å; I472-Q504 HydrophobicContact CG2-CB 3.97Å; I472-Q504 HydrophobicContact CG2-CG 3.94Å
473L89.8Confident70.4Confident59 Ų5972.2 Ų72.231%0.30944%0.443SS..  trans-66.8127.7-174.9-54.5177.8000111N443 K471 Q504N443-L473 HydrophobicContact CB-CD2 3.94Å; K471-L473 HydrophobicContact CB-CD2 3.82Å; K471-L473 HydrophobicContact CB-CG 4.33Å; K471-L473 HydrophobicContact CD-CD2 4.16Å; L473-Q504 VanDerWaalsContact N-NE2 3.15Å; L473-Q504 VanDerWaalsContact O-CG 3.3Å; L473-Q504 WeakPolarHBondContact O-CG 3.43Å; L473-Q504 PolarHBondContact O-NE2 2.8Å
474S88.3Confident69.4Low25 Ų2574.9 Ų74.918%0.17546%0.455CS..  trans-134.3151162.7-175.70000108.6I472 D476 R505I472-S474 PolarHBondContact O-N 3.02Å; S474-D476 PolarHBondContact OG-N 2.8Å; S474-D476 PolarHBondContact OG-OD2 3.12Å; S474-R505 WeakPolarHBondContact CA-O 3.37Å; S474-R505 VanDerWaalsContact CB-O 3.26Å; S474-R505 WeakPolarHBondContact CB-O 3.34Å; S474-R505 PolarHBondContact OG-O 2.99Å
475L84.3Confident68.8Low76 Ų7673.4 Ų73.440%0.39845%0.445SS..  trans-107.220.4174-58.6176.7000112.4V506 V507 L598L475-V506 WeakPolarHBondContact CB-O 3.2Å; L475-V506 WeakPolarHBondContact CG-O 3.44Å; L475-V506 PolarHBondContact N-O 2.85Å; L475-V507 HydrophobicContact CD1-CG2 4.37Å; L475-L598 HydrophobicContact CD1-CD2 3.7Å
476D72.8Confident68.1Low40 Ų4069.2 Ų69.221%0.21442%0.421CS..SBendtrans-58.4139.1169.1-59.5-51.1000110.6S474 V478 R505S474-D476 PolarHBondContact OG-N 2.8Å; S474-D476 PolarHBondContact OG-OD2 3.12Å; D476-V478 WeakPolarHBondContact O-CG2 3.09Å; D476-V478 PolarHBondContact O-N 2.97Å; D476-R505 IonicContact OD1-CZ 3.76Å; D476-R505 IonicContact OD1-NE 3.26Å; D476-R505 PolarHBondContact OD1-NE 2.76Å; D476-R505 IonicContact OD1-NH2 3.75Å; D476-R505 PolarHBondContact OD1-NH2 2.69Å; D476-R505 IonicContact OD2-NH2 3.62Å
477D53.9Low67.7Low136 Ų13668.1 Ų68.173%0.72742%0.416SS*.  trans-54.3120.8-174.6-89.2-38000112.5D479D477-D479 PolarHBondContact O-N 3.12Å
478V49.4Very low67.7Low139 Ų13964.9 Ų64.984%0.84240%0.4SS*.  trans-86.420.7-175.4-159.10000112.1D476 G480D476-V478 WeakPolarHBondContact O-CG2 3.09Å; D476-V478 PolarHBondContact O-N 2.97Å; V478-G480 PolarHBondContact O-N 3.39Å
479D35.5Very low67.4Low146 Ų14666.9 Ų66.978%0.78141%0.407SS*.  trans-74.962.4174.5-90.8-3.6000111D477 H481D477-D479 PolarHBondContact O-N 3.12Å; D479-H481 PolarHBondContact O-N 2.93Å
480G44.7Very low67.3Low68 Ų6864.6 Ų64.670%0.70139%0.389SS*.  trans-74.472.1-173.400000114.8V478V478-G480 PolarHBondContact O-N 3.39Å
481H30.7Very low67.2Low190 Ų19063.4 Ų63.488%0.8838%0.384SS*.SBendtrans-132.588.7164.9-85.310.9000111D479D479-H481 PolarHBondContact O-N 2.93Å
482G36.2Very low67.2Low56 Ų5660.6 Ų60.658%0.57737%0.373SS*.SBendtrans94.9104.4166.700000116.7C484G482-C484 PolarHBondContact O-N 2.87Å
483G37Very low67.2Low23 Ų2362 Ų6224%0.23738%0.379CS..SBendtrans91.1-40.6147.700000120.1R233 S485R233-G483 PolarHBondContact NH2-O 2.92Å; G483-S485 PolarHBondContact O-N 3.2Å
484C41.5Very low67.2Low93 Ų9360.7 Ų60.763%0.62838%0.379SS*.THydrogen-bonded Turntrans-92.316-157-87.50000120G482 A486G482-C484 PolarHBondContact O-N 2.87Å; C484-A486 PolarHBondContact O-N 3.17Å
485S57.2Low67Low54 Ų5465.4 Ų65.438%0.37840%0.398SS..THydrogen-bonded Turntrans-77.8-3.1169.873.40000114.7G483 G487 T488 E489G483-S485 PolarHBondContact O-N 3.2Å; S485-G487 PolarHBondContact O-N 3.41Å; S485-T488 PolarHBondContact O-N 3.48Å; S485-T488 PolarHBondContact O-OG1 2.89Å; S485-E489 PolarHBondContact OG-OE1 2.95Å
486A68.3Low67Low21 Ų2165 Ų6517%0.17439%0.391CS..THydrogen-bonded Turntrans-64.3111.9-170.100000111.4I191 D232 C484I191-A486 HydrophobicContact CD1-CB 3.78Å; I191-A486 HydrophobicContact CG1-CB 3.95Å; I191-A486 WeakPolarHBondContact CG1-O 3.25Å; D232-A486 VanDerWaalsContact O-CB 3.23Å; D232-A486 WeakPolarHBondContact O-CB 3.22Å; C484-A486 PolarHBondContact O-N 3.17Å
487G76.8Confident67.5Low10 Ų1066.8 Ų66.810%0.10340%0.401CS..THydrogen-bonded Turntrans112.5-7.2177.500000115.8S485 A537 F538S485-G487 PolarHBondContact O-N 3.41Å; G487-A537 CarbonylContact O-C 3.56Å; G487-A537 WeakPolarHBondContact O-CA 3.37Å; G487-F538 PolarHBondContact O-N 2.79Å
488T88.1Confident68.9Low28 Ų2863.7 Ų63.717%0.17239%0.385CS..  trans-123.115.4-178.660.60000113.3S485 I490 T536 F538S485-T488 PolarHBondContact O-N 3.48Å; S485-T488 PolarHBondContact O-OG1 2.89Å; T488-I490 PolarHBondContact O-N 2.99Å; T488-T536 WeakPolarHBondContact CG2-O 3.34Å; T488-F538 WeakPolarHBondContact O-CZ 3.47Å
489E88.2Confident70.8Confident75 Ų7561.9 Ų61.935%0.3537%0.367SS..  trans-55.3114.8179.4-73.1-68.5143.100112.6K428 S485 G491 Y493K428-E489 IonicContact NZ-OE2 3.15Å; K428-E489 PolarHBondContact NZ-OE2 3.43Å; S485-E489 PolarHBondContact OG-OE1 2.95Å; E489-G491 PolarHBondContact O-N 2.98Å; E489-Y493 WeakPolarHBondContact O-CE2 3.37Å; E489-Y493 VanDerWaalsContact O-CZ 3.3Å; E489-Y493 PolarHBondContact O-OH 2.95Å
490I91.7Very high73.6Confident20 Ų2055.2 Ų55.210%0.10333%0.331CS..  trans-63.4-3.9-171.862.2163.6000116.6V439 N444 I472 T488 F502 I503V439-I490 HydrophobicContact CG1-CD1 4.41Å; N444-I490 HydrophobicContact CB-CD1 3.75Å; I472-I490 HydrophobicContact CB-CD1 4Å; I472-I490 HydrophobicContact CG2-CB 4.05Å; I472-I490 HydrophobicContact CG2-CD1 3.81Å; I472-I490 HydrophobicContact CG2-CG2 4.08Å; T488-I490 PolarHBondContact O-N 2.99Å; I490-F502 HydrophobicContact CD1-CD1 4.18Å; I490-F502 HydrophobicContact CD1-CE1 4.38Å; I490-F502 HydrophobicContact CG1-CD1 4.28Å; I490-F502 CarbonylContact O-C 3.56Å; I490-F502 WeakPolarHBondContact O-CA 3.31Å; I490-F502 WeakPolarHBondContact O-CB 3.5Å; I490-F502 VanDerWaalsContact O-CD1 3.32Å; I490-F502 WeakPolarHBondContact O-CD1 3.41Å; I490-I503 WeakPolarHBondContact CA-O 3.5Å; I490-I503 PolarHBondContact O-N 2.64Å
491G89.9Confident76.1Confident1 Ų152 Ų521%0.0130%0.298CS..  trans97.3-159.4-168.900000113.4K428 E489 Y493K428-G491 VanDerWaalsContact CD-O 3.23Å; K428-G491 WeakPolarHBondContact CD-O 3.41Å; K428-G491 WeakPolarHBondContact CE-O 3.28Å; K428-G491 PolarHBondContact NZ-O 3.44Å; E489-G491 PolarHBondContact O-N 2.98Å; G491-Y493 VanDerWaalsContact CA-CD2 3.4Å
492P93.8Very high79.2Confident12 Ų1242.9 Ų42.98%0.07826%0.256CS..  cis-66.6143.30.729.5-35000112.1M430 I437 Q500 V501 F502M430-P492 HydrophobicContact CB-CG 3.7Å; M430-P492 HydrophobicContact CE-CG 4.49Å; M430-P492 HydrophobicContact CG-CG 4.08Å; I437-P492 HydrophobicContact CD1-CG 4.46Å; P492-Q500 HydrophobicContact CB-CB 4.2Å; P492-V501 CarbonylContact C-O 3.59Å; P492-V501 WeakPolarHBondContact CA-O 3.36Å; P492-F502 HydrophobicContact CB-CE1 4.24Å; P492-F502 HydrophobicContact CB-CZ 4.19Å; P492-F502 HydrophobicContact CG-CE1 4.44Å; P492-F502 HydrophobicContact CG-CZ 4.39Å
493Y93.4Very high82Confident31 Ų3140.2 Ų40.212%0.12223%0.228CC..BIsolated β-bridgetrans-114.7152178.6-70.3-85.8000111.5E489 G491 Q500 V501 I503 F538 M539 V540E489-Y493 WeakPolarHBondContact O-CE2 3.37Å; E489-Y493 VanDerWaalsContact O-CZ 3.3Å; E489-Y493 PolarHBondContact O-OH 2.95Å; G491-Y493 VanDerWaalsContact CA-CD2 3.4Å; Y493-Q500 CarbonylContact O-C 3.54Å; Y493-Q500 WeakPolarHBondContact O-CA 3.42Å; Y493-Q500 WeakPolarHBondContact O-CB 3.44Å; Y493-V501 PolarHBondContact N-O 3.05Å; Y493-V501 PolarHBondContact O-N 2.94Å; Y493-I503 HydrophobicContact CD2-CG1 3.98Å; Y493-I503 HydrophobicContact CE2-CB 4.39Å; Y493-I503 HydrophobicContact CE2-CG1 3.88Å; Y493-F538 PolarHBondContact OH-O 2.77Å; Y493-M539 HydrophobicContact CE1-CG 4.42Å; Y493-V540 HydrophobicContact CD1-CB 3.95Å; Y493-V540 WeakPolarHBondContact CD1-O 3.32Å; Y493-V540 HydrophobicContact CD2-CB 4.22Å; Y493-V540 HydrophobicContact CD2-CG2 4.25Å; Y493-V540 HydrophobicContact CG-CB 3.73Å; Y493-V540 HydrophobicContact CG-CG2 4.24Å
494G88.8Confident84.8Confident30 Ų3039.2 Ų39.231%0.30922%0.217SC..SBendtrans111.4161.3-177.600000111.9Q500G494-Q500 PolarHBondContact O-NE2 2.96Å
495E85.1Confident87.2Confident125 Ų12535.7 Ų35.758%0.58419%0.191SC*.  trans-62.6157.4180-59.6-163.1152.600112.1D497 D498 Q500E495-D497 PolarHBondContact O-N 3.41Å; E495-D498 PolarHBondContact O-N 2.94Å; E495-Q500 WeakPolarHBondContact O-CG 3.28Å; E495-Q500 PolarHBondContact O-NE2 3.32Å
496R84.3Confident88.8Confident66 Ų6633.2 Ų33.225%0.24917%0.173CC..THydrogen-bonded Turntrans-69.8-17.2-174.4-71.8178.4176.7160.21.9113.4D324 V375 Y376 M430 S432 E433D324-R496 IonicContact OD1-NH2 3.33Å; D324-R496 PolarHBondContact OD1-NH2 2.74Å; D324-R496 IonicContact OD2-CZ 2.78Å; D324-R496 IonicContact OD2-NH1 3.26Å; D324-R496 IonicContact OD2-NH2 3.44Å; D324-R496 PolarHBondContact OD2-NH2 2.76Å; V375-R496 PolarHBondContact O-NH1 3.19Å; Y376-R496 HydrophobicContact CD2-CB 4.3Å; Y376-R496 HydrophobicContact CE2-CB 4.29Å; M430-R496 HydrophobicContact SD-CG 4.04Å; S432-R496 CarbonylContact C-O 3.59Å; S432-R496 VanDerWaalsContact CA-O 3.25Å; S432-R496 WeakPolarHBondContact CA-O 3.38Å; S432-R496 WeakPolarHBondContact CB-O 3.5Å; S432-R496 PolarHBondContact OG-O 2.86Å; E433-R496 PolarHBondContact N-O 3.07Å
497D82.9Confident89.8Confident78 Ų7832.5 Ų32.542%0.41717%0.167SC..THydrogen-bonded Turntrans-102.5-10.8-174.3-57-8.7000112.3E433 K434 E495E433-D497 HydrophobicContact CB-CB 4.38Å; K434-D497 PolarHBondContact NZ-O 2.95Å; E495-D497 PolarHBondContact O-N 3.41Å
498D84.4Confident90.1Very high71 Ų7133.8 Ų33.838%0.3817%0.174SC..SBendtrans-107.1178179.6-17438.5000112.6E495 Q500 R555E495-D498 PolarHBondContact O-N 2.94Å; D498-Q500 PolarHBondContact O-N 3.48Å; D498-R555 IonicContact OD2-CZ 2.86Å; D498-R555 IonicContact OD2-NH1 3.46Å; D498-R555 PolarHBondContact OD2-NH1 3.45Å; D498-R555 IonicContact OD2-NH2 2.68Å; D498-R555 PolarHBondContact OD2-NH2 3.22Å
499Q89.2Confident89.9Confident101 Ų10138.5 Ų38.547%0.47220%0.197SC..  trans-64.5121.3168.3-65.4-17023.600111.3R555 M575Q499-R555 PolarHBondContact O-NH1 2.56Å; Q499-M575 HydrophobicContact CB-CE 3.53Å; Q499-M575 WeakPolarHBondContact O-CE 3.42Å
500Q94.2Very high89.9Confident6 Ų635.2 Ų35.23%0.02818%0.183CC..  trans-95.1158.1174.3-67.5178.1-31.100112.1M430 P492 Y493 G494 E495 D498 S518M430-Q500 VanDerWaalsContact CG-OE1 3.31Å; P492-Q500 HydrophobicContact CB-CB 4.2Å; Y493-Q500 CarbonylContact O-C 3.54Å; Y493-Q500 WeakPolarHBondContact O-CA 3.42Å; Y493-Q500 WeakPolarHBondContact O-CB 3.44Å; G494-Q500 PolarHBondContact O-NE2 2.96Å; E495-Q500 WeakPolarHBondContact O-CG 3.28Å; E495-Q500 PolarHBondContact O-NE2 3.32Å; D498-Q500 PolarHBondContact O-N 3.48Å; Q500-S518 WeakPolarHBondContact CB-OG 3.3Å; Q500-S518 PolarHBondContact O-N 2.93Å; Q500-S518 PolarHBondContact O-OG 2.82Å
501V95.8Very high89.9Confident0 Ų035.3 Ų35.30%018%0.184CC..EExtended strand (participates in β ladder)trans-127.7149.4179.3-61.40000112.9P492 Y493 V515 R516 L517 V524 V540 L571 M575P492-V501 CarbonylContact C-O 3.59Å; P492-V501 WeakPolarHBondContact CA-O 3.36Å; Y493-V501 PolarHBondContact N-O 3.05Å; Y493-V501 PolarHBondContact O-N 2.94Å; V501-V515 HydrophobicContact CB-CG1 3.85Å; V501-V515 HydrophobicContact CG1-CG1 3.97Å; V501-V515 HydrophobicContact CG2-CG1 4Å; V501-R516 CarbonylContact C-O 3.57Å; V501-R516 WeakPolarHBondContact CA-O 3.22Å; V501-R516 WeakPolarHBondContact CB-O 3.35Å; V501-L517 HydrophobicContact CG1-CD2 4.42Å; V501-V524 HydrophobicContact CG1-CG2 4.37Å; V501-V540 HydrophobicContact CG2-CG2 4.14Å; V501-L571 HydrophobicContact CG2-CD2 3.88Å; V501-M575 HydrophobicContact CG1-CE 4.19Å; V501-M575 HydrophobicContact CG1-SD 4.08Å
502F96.4Very high89.9Confident0 Ų035.8 Ų35.80%019%0.185CC..EExtended strand (participates in β ladder)trans-92.6148158.2-68.3-82.5000110I437 V439 V446 F470 I472 I490 P492 R516I437-F502 HydrophobicContact CG2-CE2 4.31Å; I437-F502 HydrophobicContact CG2-CZ 3.86Å; V439-F502 HydrophobicContact CG2-CE1 3.9Å; V439-F502 HydrophobicContact CG2-CZ 3.97Å; V446-F502 HydrophobicContact CG1-CE2 3.78Å; V446-F502 HydrophobicContact CG1-CZ 3.77Å; V446-F502 HydrophobicContact CG2-CE1 4.36Å; V446-F502 HydrophobicContact CG2-CE2 4.09Å; V446-F502 HydrophobicContact CG2-CZ 3.89Å; F470-F502 HydrophobicContact CE2-CD2 4.18Å; F470-F502 HydrophobicContact CE2-CE2 4.22Å; F470-F502 HydrophobicContact CZ-CD2 4.3Å; F470-F502 HydrophobicContact CZ-CE2 4.08Å; I472-F502 HydrophobicContact CD1-CB 3.75Å; I472-F502 HydrophobicContact CD1-CD2 4.33Å; I472-F502 HydrophobicContact CD1-CG 4.05Å; I472-F502 HydrophobicContact CG1-CB 4.17Å; I472-F502 HydrophobicContact CG1-CD1 4.25Å; I472-F502 HydrophobicContact CG1-CD2 4.41Å; I472-F502 HydrophobicContact CG1-CG 4.04Å; I490-F502 HydrophobicContact CD1-CD1 4.18Å; I490-F502 HydrophobicContact CD1-CE1 4.38Å; I490-F502 HydrophobicContact CG1-CD1 4.28Å; I490-F502 CarbonylContact O-C 3.56Å; I490-F502 WeakPolarHBondContact O-CA 3.31Å; I490-F502 WeakPolarHBondContact O-CB 3.5Å; I490-F502 VanDerWaalsContact O-CD1 3.32Å; I490-F502 WeakPolarHBondContact O-CD1 3.41Å; P492-F502 HydrophobicContact CB-CE1 4.24Å; P492-F502 HydrophobicContact CB-CZ 4.19Å; P492-F502 HydrophobicContact CG-CE1 4.44Å; P492-F502 HydrophobicContact CG-CZ 4.39Å; F502-R516 PolarHBondContact N-O 3.26Å; F502-R516 PolarHBondContact O-N 2.93Å
503I95.6Very high89.9Confident0 Ų035.2 Ų35.20%018%0.181CC..EExtended strand (participates in β ladder)trans-107.5123.8167.1-56.5-62.4000107.3I490 Y493 L513 V515 F538 V540 L557I490-I503 WeakPolarHBondContact CA-O 3.5Å; I490-I503 PolarHBondContact O-N 2.64Å; Y493-I503 HydrophobicContact CD2-CG1 3.98Å; Y493-I503 HydrophobicContact CE2-CB 4.39Å; Y493-I503 HydrophobicContact CE2-CG1 3.88Å; I503-L513 HydrophobicContact CG2-CB 4.43Å; I503-L513 HydrophobicContact CG2-CD1 3.92Å; I503-L513 HydrophobicContact CG2-CD2 4.19Å; I503-L513 HydrophobicContact CG2-CG 4.43Å; I503-V515 HydrophobicContact CD1-CB 4.22Å; I503-V515 HydrophobicContact CD1-CG1 3.9Å; I503-V515 HydrophobicContact CD1-CG2 3.72Å; I503-F538 HydrophobicContact CB-CD2 3.87Å; I503-F538 HydrophobicContact CB-CE2 3.72Å; I503-F538 HydrophobicContact CB-CZ 4.46Å; I503-F538 HydrophobicContact CG1-CD2 4.32Å; I503-F538 HydrophobicContact CG2-CD1 4.32Å; I503-F538 HydrophobicContact CG2-CD2 3.51Å; I503-F538 HydrophobicContact CG2-CE1 4.37Å; I503-F538 HydrophobicContact CG2-CE2 3.56Å; I503-F538 HydrophobicContact CG2-CG 3.91Å; I503-F538 HydrophobicContact CG2-CZ 4Å; I503-V540 HydrophobicContact CD1-CG2 3.63Å; I503-V540 HydrophobicContact CG1-CG2 3.81Å; I503-L557 HydrophobicContact CD1-CD1 3.99Å; I503-L557 HydrophobicContact CD1-CD2 4.1Å; I503-L557 HydrophobicContact CG1-CD1 4.3Å
504Q94.6Very high89.9Confident1 Ų133.7 Ų33.71%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-112.3104.7179.4-173.2179.5-4.800109.7I472 L473 V506 Y514 R516I472-Q504 HydrophobicContact CG2-CB 3.97Å; I472-Q504 HydrophobicContact CG2-CG 3.94Å; L473-Q504 VanDerWaalsContact N-NE2 3.15Å; L473-Q504 VanDerWaalsContact O-CG 3.3Å; L473-Q504 WeakPolarHBondContact O-CG 3.43Å; L473-Q504 PolarHBondContact O-NE2 2.8Å; Q504-V506 HydrophobicContact CG-CG2 4.19Å; Q504-Y514 PolarHBondContact N-O 2.85Å; Q504-Y514 PolarHBondContact O-N 3.48Å; Q504-R516 VanDerWaalsContact OE1-CD 3.25Å
505R92.4Very high90.2Very high19 Ų1932.3 Ų32.37%0.07216%0.161CC..  trans-84.3135.5153.7-170.8169.572.5-170.57.1107.4S474 D476 V507 T510 L513 I535 T536 F538S474-R505 WeakPolarHBondContact CA-O 3.37Å; S474-R505 VanDerWaalsContact CB-O 3.26Å; S474-R505 WeakPolarHBondContact CB-O 3.34Å; S474-R505 PolarHBondContact OG-O 2.99Å; D476-R505 IonicContact OD1-CZ 3.76Å; D476-R505 IonicContact OD1-NE 3.26Å; D476-R505 PolarHBondContact OD1-NE 2.76Å; D476-R505 IonicContact OD1-NH2 3.75Å; D476-R505 PolarHBondContact OD1-NH2 2.69Å; D476-R505 IonicContact OD2-NH2 3.62Å; R505-V507 WeakPolarHBondContact CD-O 3.34Å; R505-V507 VanDerWaalsContact CG-O 3.23Å; R505-V507 WeakPolarHBondContact CG-O 3.44Å; R505-T510 HydrophobicContact CG-CG2 3.64Å; R505-L513 HydrophobicContact CB-CD2 3.64Å; R505-L513 HydrophobicContact CG-CD2 4.11Å; R505-I535 PolarHBondContact NH1-O 3.21Å; R505-T536 PolarHBondContact NH1-O 3.09Å; R505-F538 HydrophobicContact CB-CE1 3.88Å; R505-F538 HydrophobicContact CB-CZ 4.43Å
506V90.8Very high90.7Very high2 Ų226.9 Ų26.91%0.01214%0.135CC..  trans-99.3-38.9-179-176.40000111.5L475 Q504 Y514 P589 L594 L597L475-V506 WeakPolarHBondContact CB-O 3.2Å; L475-V506 WeakPolarHBondContact CG-O 3.44Å; L475-V506 PolarHBondContact N-O 2.85Å; Q504-V506 HydrophobicContact CG-CG2 4.19Å; V506-Y514 HydrophobicContact CG2-CD2 4.08Å; V506-Y514 HydrophobicContact CG2-CE2 3.81Å; V506-P589 HydrophobicContact CG2-CG 4.25Å; V506-L594 HydrophobicContact CG1-CD1 3.75Å; V506-L597 HydrophobicContact CB-CD1 4.12Å; V506-L597 HydrophobicContact CG1-CD1 4.5Å; V506-L597 HydrophobicContact CG2-CD1 4.11Å
507V89.3Confident91.2Very high6 Ų624.9 Ų24.94%0.03613%0.129CC..SBendtrans-128.2139.2-177177.40000108L475 R505 D509 T510 L597 C601L475-V507 HydrophobicContact CD1-CG2 4.37Å; R505-V507 WeakPolarHBondContact CD-O 3.34Å; R505-V507 VanDerWaalsContact CG-O 3.23Å; R505-V507 WeakPolarHBondContact CG-O 3.44Å; V507-D509 PolarHBondContact O-N 2.84Å; V507-T510 WeakPolarHBondContact O-CG2 3.42Å; V507-T510 PolarHBondContact O-N 3.12Å; V507-L597 HydrophobicContact CG2-CB 4.24Å; V507-C601 HydrophobicContact CG1-CB 3.83Å
508P83.8Confident91.7Very high38 Ų3821.3 Ų21.325%0.24711%0.111CC..THydrogen-bonded Turntrans-53.7-45.9-175.6-29.736.3000114.9T510P508-T510 PolarHBondContact O-N 2.76Å
509D82.6Confident92.1Very high126 Ų12618.8 Ų18.867%0.67410%0.098SC*.THydrogen-bonded Turntrans-91.212.6-173.4-66.6-64.7000114.8V507 S534V507-D509 PolarHBondContact O-N 2.84Å; D509-S534 WeakPolarHBondContact O-CB 3.19Å
510T89.9Confident92.2Very high7 Ų716.9 Ų16.94%0.0439%0.091CC..  trans-69.4149.3-178.8-168.70000113.3R505 V507 P508 K512 S534 I535 L597R505-T510 HydrophobicContact CG-CG2 3.64Å; V507-T510 WeakPolarHBondContact O-CG2 3.42Å; V507-T510 PolarHBondContact O-N 3.12Å; P508-T510 PolarHBondContact O-N 2.76Å; T510-K512 VanDerWaalsContact C-N 3.29Å; T510-K512 WeakPolarHBondContact CG2-O 3.43Å; T510-K512 PolarHBondContact OG1-N 3.06Å; T510-K512 VanDerWaalsContact OG1-N 3.13Å; T510-S534 WeakPolarHBondContact O-CA 3.13Å; T510-I535 PolarHBondContact O-N 2.96Å; T510-L597 WeakPolarHBondContact OG1-CD2 3.48Å
511D90.9Very high92.1Very high22 Ų2216.7 Ų16.712%0.1189%0.091CC..SBendtrans-83.6-1.416774.4-31.7000113.1R528 S529 I535D511-R528 CarbonylContact O-C 3.57Å; D511-R528 WeakPolarHBondContact O-CA 3.48Å; D511-R528 IonicContact OD1-CZ 3.36Å; D511-R528 IonicContact OD1-NH1 2.89Å; D511-R528 PolarHBondContact OD1-NH1 3.3Å; D511-R528 VanDerWaalsContact OD2-CD 3.32Å; D511-R528 WeakPolarHBondContact OD2-CD 3.33Å; D511-R528 WeakPolarHBondContact OD2-CG 3.41Å; D511-R528 IonicContact OD2-CZ 3.9Å; D511-R528 IonicContact OD2-NE 3.51Å; D511-R528 IonicContact OD2-NH1 2.91Å; D511-R528 PolarHBondContact OD2-NH1 3.23Å; D511-S529 PolarHBondContact O-N 3.42Å; D511-I535 WeakPolarHBondContact O-CD1 3.43Å
512K90.8Very high91.9Very high10 Ų1020.1 Ų20.14%0.04311%0.106CC..EExtended strand (participates in β ladder)trans-126.7128.9-164.4172.6166.7157.2158.70114T510 Y514 E526 V527 E593T510-K512 VanDerWaalsContact C-N 3.29Å; T510-K512 WeakPolarHBondContact CG2-O 3.43Å; T510-K512 PolarHBondContact OG1-N 3.06Å; T510-K512 VanDerWaalsContact OG1-N 3.13Å; K512-Y514 WeakPolarHBondContact CE-OH 3.5Å; K512-Y514 PolarHBondContact NZ-OH 3.3Å; K512-E526 HydrophobicContact CD-CG 4.21Å; K512-E526 VanDerWaalsContact CD-OE1 3.26Å; K512-E526 WeakPolarHBondContact CD-OE1 3.31Å; K512-E526 WeakPolarHBondContact CE-OE1 3.29Å; K512-E526 VanDerWaalsContact CE-OE2 3.32Å; K512-E526 WeakPolarHBondContact CE-OE2 3.35Å; K512-E526 HydrophobicContact CG-CG 4.18Å; K512-E526 IonicContact NZ-OE1 3.23Å; K512-E526 PolarHBondContact NZ-OE1 3.41Å; K512-E526 IonicContact NZ-OE2 2.91Å; K512-E526 PolarHBondContact NZ-OE2 3.21Å; K512-V527 CarbonylContact C-O 3.6Å; K512-V527 WeakPolarHBondContact CA-O 3.41Å; K512-E593 IonicContact NZ-OE1 2.75Å; K512-E593 PolarHBondContact NZ-OE1 3.01Å
513L93.5Very high91.6Very high0 Ų022 Ų220%011%0.113CC..EExtended strand (participates in β ladder)trans-117.4144174.6-64.4179.7000111.5I503 R505 V527 I535 F538 L557I503-L513 HydrophobicContact CG2-CB 4.43Å; I503-L513 HydrophobicContact CG2-CD1 3.92Å; I503-L513 HydrophobicContact CG2-CD2 4.19Å; I503-L513 HydrophobicContact CG2-CG 4.43Å; R505-L513 HydrophobicContact CB-CD2 3.64Å; R505-L513 HydrophobicContact CG-CD2 4.11Å; L513-V527 HydrophobicContact CB-CB 4.46Å; L513-V527 PolarHBondContact N-O 3.25Å; L513-V527 PolarHBondContact O-N 2.78Å; L513-I535 HydrophobicContact CD1-CD1 4.17Å; L513-I535 HydrophobicContact CD1-CG2 3.95Å; L513-I535 HydrophobicContact CD2-CG2 4.4Å; L513-I535 HydrophobicContact CG-CD1 3.88Å; L513-I535 HydrophobicContact CG-CG2 4.25Å; L513-F538 HydrophobicContact CD1-CB 4Å; L513-F538 HydrophobicContact CD1-CD1 4.08Å; L513-F538 HydrophobicContact CD1-CG 4.15Å; L513-F538 HydrophobicContact CD2-CD1 3.95Å; L513-F538 HydrophobicContact CD2-CE1 4.08Å; L513-L557 HydrophobicContact CD1-CD2 4.3Å
514Y93.3Very high91.4Very high0 Ų022.5 Ų22.50%012%0.116CC..EExtended strand (participates in β ladder)trans-105.2129.2167.6-53.8-77.9000111Q504 V506 K512 R523 P589 E593 L597Q504-Y514 PolarHBondContact N-O 2.85Å; Q504-Y514 PolarHBondContact O-N 3.48Å; V506-Y514 HydrophobicContact CG2-CD2 4.08Å; V506-Y514 HydrophobicContact CG2-CE2 3.81Å; K512-Y514 WeakPolarHBondContact CE-OH 3.5Å; K512-Y514 PolarHBondContact NZ-OH 3.3Å; Y514-R523 VanDerWaalsContact CE1-NH1 3.28Å; Y514-P589 HydrophobicContact CE2-CB 3.85Å; Y514-P589 HydrophobicContact CE2-CG 4.18Å; Y514-E593 WeakPolarHBondContact CE1-OE1 3.29Å; Y514-E593 WeakPolarHBondContact OH-CB 3.36Å; Y514-E593 PolarHBondContact OH-OE1 2.99Å; Y514-L597 HydrophobicContact CE2-CD1 3.97Å
515V94.9Very high91.2Very high0 Ų023.4 Ų23.40%012%0.122CC..EExtended strand (participates in β ladder)trans-97.4129.3171.6-170.30000109.1V501 I503 V524 C525 L557 L571V501-V515 HydrophobicContact CB-CG1 3.85Å; V501-V515 HydrophobicContact CG1-CG1 3.97Å; V501-V515 HydrophobicContact CG2-CG1 4Å; I503-V515 HydrophobicContact CD1-CB 4.22Å; I503-V515 HydrophobicContact CD1-CG1 3.9Å; I503-V515 HydrophobicContact CD1-CG2 3.72Å; V515-V524 HydrophobicContact CB-CB 4.32Å; V515-V524 HydrophobicContact CG1-CB 4.24Å; V515-V524 PolarHBondContact O-N 2.68Å; V515-C525 PolarHBondContact N-O 3.46Å; V515-L557 HydrophobicContact CG2-CD2 3.98Å; V515-L571 HydrophobicContact CG1-CD1 3.75Å; V515-L571 HydrophobicContact CG1-CD2 4.4Å
516R94.5Very high91.1Very high12 Ų1225.4 Ų25.45%0.04513%0.132CC..EExtended strand (participates in β ladder)trans-134.4138.6-170.9-59.9178.960.5-175.4-3.8111.5K471 V501 F502 Q504 G521 K522 G587 G588K471-R516 PolarHBondContact O-NH1 3.1Å; V501-R516 CarbonylContact C-O 3.57Å; V501-R516 WeakPolarHBondContact CA-O 3.22Å; V501-R516 WeakPolarHBondContact CB-O 3.35Å; F502-R516 PolarHBondContact N-O 3.26Å; F502-R516 PolarHBondContact O-N 2.93Å; Q504-R516 VanDerWaalsContact OE1-CD 3.25Å; R516-G521 PolarHBondContact NE-O 2.74Å; R516-G521 PolarHBondContact NH2-O 3.47Å; R516-K522 CarbonylContact C-O 3.54Å; R516-K522 VanDerWaalsContact CA-O 3.25Å; R516-K522 WeakPolarHBondContact CA-O 3.32Å; R516-G587 VanDerWaalsContact CD-O 3.24Å; R516-G587 WeakPolarHBondContact CD-O 3.39Å; R516-G587 WeakPolarHBondContact CG-O 3.38Å; R516-G587 VanDerWaalsContact CZ-C 3.42Å; R516-G587 PolarHBondContact NE-O 3.44Å; R516-G588 VanDerWaalsContact CZ-N 3.28Å
517L94.4Very high91.1Very high24 Ų2425.4 Ų25.413%0.12613%0.132CC..EExtended strand (participates in β ladder)trans-65.3135.2177.5-67.3177.1000111.3V501 S519 G521 K522 V524 M575V501-L517 HydrophobicContact CG1-CD2 4.42Å; L517-S519 VanDerWaalsContact C-N 3.31Å; L517-S519 PolarHBondContact O-N 3.26Å; L517-G521 WeakPolarHBondContact O-CA 3.48Å; L517-G521 PolarHBondContact O-N 3.35Å; L517-K522 PolarHBondContact N-O 2.89Å; L517-V524 HydrophobicContact CD2-CG2 3.58Å; L517-V524 HydrophobicContact CG-CG2 3.65Å; L517-M575 HydrophobicContact CD2-CE 4.44Å
518S94.7Very high91.2Very high3 Ų329.4 Ų29.42%0.02115%0.147CC..THydrogen-bonded Turntrans-73.7-23.5177.470.60000113.8I437 T448 Q500I437-S518 WeakPolarHBondContact CD1-OG 3.46Å; T448-S518 PolarHBondContact OG1-O 3.3Å; Q500-S518 WeakPolarHBondContact CB-OG 3.3Å; Q500-S518 PolarHBondContact O-N 2.93Å; Q500-S518 PolarHBondContact O-OG 2.82Å
519S92.4Very high91.6Very high17 Ų1728 Ų2812%0.11914%0.137CC..THydrogen-bonded Turntrans-68.8-35179.955.80000113.5H435 T468 L517H435-S519 WeakPolarHBondContact NE2-CB 3.34Å; T468-S519 PolarHBondContact OG1-O 2.99Å; L517-S519 VanDerWaalsContact C-N 3.31Å; L517-S519 PolarHBondContact O-N 3.26Å
520N91.6Very high91.9Very high61 Ų6123.3 Ų23.333%0.32611%0.113SC..THydrogen-bonded Turntrans-145.7-4.2-171.564.830.7000116.1T468 K522T468-N520 HydrophobicContact CG2-CB 3.9Å; N520-K522 VanDerWaalsContact C-N 3.28Å; N520-K522 PolarHBondContact O-N 3.4Å; N520-K522 VanDerWaalsContact OD1-CB 3.31Å; N520-K522 WeakPolarHBondContact OD1-CB 3.42Å; N520-K522 PolarHBondContact OD1-N 3.16Å
521G91.9Very high91.7Very high2 Ų225.9 Ų25.92%0.02113%0.127CC..  trans75.61.4178.100000116.1R516 L517 G587R516-G521 PolarHBondContact NE-O 2.74Å; R516-G521 PolarHBondContact NH2-O 3.47Å; L517-G521 WeakPolarHBondContact O-CA 3.48Å; L517-G521 PolarHBondContact O-N 3.35Å; G521-G587 CarbonylContact O-C 3.55Å; G521-G587 WeakPolarHBondContact O-CA 3.15Å
522K91.4Very high91.5Very high73 Ų7327.2 Ų27.232%0.31715%0.146SC..  trans-59.7145.5174.6-79.3-162.8172.9-1580111R516 L517 N520 D582 I583R516-K522 CarbonylContact C-O 3.54Å; R516-K522 VanDerWaalsContact CA-O 3.25Å; R516-K522 WeakPolarHBondContact CA-O 3.32Å; L517-K522 PolarHBondContact N-O 2.89Å; N520-K522 VanDerWaalsContact C-N 3.28Å; N520-K522 PolarHBondContact O-N 3.4Å; N520-K522 VanDerWaalsContact OD1-CB 3.31Å; N520-K522 WeakPolarHBondContact OD1-CB 3.42Å; N520-K522 PolarHBondContact OD1-N 3.16Å; K522-D582 IonicContact NZ-OD1 3.07Å; K522-D582 PolarHBondContact NZ-OD1 3.19Å; K522-I583 PolarHBondContact NZ-O 3.02Å
523R90.7Very high91.5Very high39 Ų3928.4 Ų28.415%0.14715%0.154CC..EExtended strand (participates in β ladder)trans-67.9130.2171.7-159-175.4-61-166.45109.8Y514 E526 G588 E593Y514-R523 VanDerWaalsContact CE1-NH1 3.28Å; R523-E526 IonicContact NH1-OE2 2.74Å; R523-E526 PolarHBondContact NH1-OE2 2.93Å; R523-G588 PolarHBondContact NH2-O 2.77Å; R523-E593 IonicContact CZ-OE1 3.71Å; R523-E593 IonicContact CZ-OE2 2.74Å; R523-E593 IonicContact NH1-OE1 2.62Å; R523-E593 PolarHBondContact NH1-OE1 3.45Å; R523-E593 IonicContact NH1-OE2 2.89Å; R523-E593 PolarHBondContact NH1-OE2 3.46Å; R523-E593 IonicContact NH2-OE1 2.77Å; R523-E593 IonicContact NH2-OE2 2.76Å; R523-E593 PolarHBondContact NH2-OE2 3.17Å
524V91.2Very high91.5Very high11 Ų1130 Ų307%0.06717%0.165CC..EExtended strand (participates in β ladder)trans-89.1-54.8171.9175.40000109.2V501 V515 L517 L571 A574 M575 A578V501-V524 HydrophobicContact CG1-CG2 4.37Å; V515-V524 HydrophobicContact CB-CB 4.32Å; V515-V524 HydrophobicContact CG1-CB 4.24Å; V515-V524 PolarHBondContact O-N 2.68Å; L517-V524 HydrophobicContact CD2-CG2 3.58Å; L517-V524 HydrophobicContact CG-CG2 3.65Å; V524-L571 HydrophobicContact CG1-CD1 4.19Å; V524-A574 HydrophobicContact CG1-CB 4.14Å; V524-M575 HydrophobicContact CG1-CB 4.45Å; V524-M575 HydrophobicContact CG1-CG 3.74Å; V524-A578 HydrophobicContact CB-CB 4.48Å; V524-A578 HydrophobicContact CG1-CB 4.04Å
525C90.6Very high91.5Very high19 Ų1930 Ų3013%0.12817%0.165CC..EExtended strand (participates in β ladder)trans-155.3168.717758.20000110.8L115 V515 A574L115-C525 HydrophobicContact CD1-CB 3.83Å; V515-C525 PolarHBondContact N-O 3.46Å; C525-A574 HydrophobicContact CB-CB 4.02Å
526E90.4Very high91.4Very high61 Ų6130.9 Ų30.929%0.28517%0.171SC..EExtended strand (participates in β ladder)trans-108.4142.6165.8177.9170.5141.100108.5K512 R523K512-E526 HydrophobicContact CD-CG 4.21Å; K512-E526 VanDerWaalsContact CD-OE1 3.26Å; K512-E526 WeakPolarHBondContact CD-OE1 3.31Å; K512-E526 WeakPolarHBondContact CE-OE1 3.29Å; K512-E526 VanDerWaalsContact CE-OE2 3.32Å; K512-E526 WeakPolarHBondContact CE-OE2 3.35Å; K512-E526 HydrophobicContact CG-CG 4.18Å; K512-E526 IonicContact NZ-OE1 3.23Å; K512-E526 PolarHBondContact NZ-OE1 3.41Å; K512-E526 IonicContact NZ-OE2 2.91Å; K512-E526 PolarHBondContact NZ-OE2 3.21Å; R523-E526 IonicContact NH1-OE2 2.74Å; R523-E526 PolarHBondContact NH1-OE2 2.93Å
527V91.4Very high91.4Very high2 Ų230.3 Ų30.31%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-126.9124.1176.8162.10000107.8K512 L513 L557 W569K512-V527 CarbonylContact C-O 3.6Å; K512-V527 WeakPolarHBondContact CA-O 3.41Å; L513-V527 HydrophobicContact CB-CB 4.46Å; L513-V527 PolarHBondContact N-O 3.25Å; L513-V527 PolarHBondContact O-N 2.78Å; V527-L557 HydrophobicContact CB-CD2 4.39Å; V527-L557 HydrophobicContact CG1-CD2 4.38Å; V527-L557 HydrophobicContact CG2-CD2 4.14Å; V527-W569 HydrophobicContact CB-CD2 4.45Å; V527-W569 HydrophobicContact CG1-CD2 3.62Å; V527-W569 HydrophobicContact CG1-CE3 4.22Å; V527-W569 HydrophobicContact CG1-CG 3.9Å; V527-W569 HydrophobicContact CG1-CH2 4.37Å; V527-W569 HydrophobicContact CG1-CZ2 3.8Å; V527-W569 HydrophobicContact CG2-CB 4.32Å; V527-W569 HydrophobicContact CG2-CD2 4.04Å; V527-W569 HydrophobicContact CG2-CE3 4.18Å; V527-W569 HydrophobicContact CG2-CG 4.08Å
528R90.9Very high91.5Very high91 Ų9129.3 Ų29.334%0.34316%0.163SC..EExtended strand (participates in β ladder)trans-123.2137.8178.5-174.7-176.2-71.3-83.76.1109.1D511 V530 W569D511-R528 CarbonylContact O-C 3.57Å; D511-R528 WeakPolarHBondContact O-CA 3.48Å; D511-R528 IonicContact OD1-CZ 3.36Å; D511-R528 IonicContact OD1-NH1 2.89Å; D511-R528 PolarHBondContact OD1-NH1 3.3Å; D511-R528 VanDerWaalsContact OD2-CD 3.32Å; D511-R528 WeakPolarHBondContact OD2-CD 3.33Å; D511-R528 WeakPolarHBondContact OD2-CG 3.41Å; D511-R528 IonicContact OD2-CZ 3.9Å; D511-R528 IonicContact OD2-NE 3.51Å; D511-R528 IonicContact OD2-NH1 2.91Å; D511-R528 PolarHBondContact OD2-NH1 3.23Å; R528-V530 PolarHBondContact O-N 2.87Å; R528-W569 WeakPolarHBondContact O-CH2 3.43Å; R528-W569 WeakPolarHBondContact O-CZ2 3.22Å
529S91.6Very high91.5Very high7 Ų731 Ų315%0.04917%0.171CC..  trans-56.9130178-170.40000112.2D511 D531 G532 T533 H561 Q567D511-S529 PolarHBondContact O-N 3.42Å; S529-D531 VanDerWaalsContact C-N 3.33Å; S529-D531 PolarHBondContact O-N 2.82Å; S529-D531 PolarHBondContact OG-OD1 3.3Å; S529-G532 PolarHBondContact O-N 2.88Å; S529-T533 WeakPolarHBondContact CB-O 3.5Å; S529-T533 PolarHBondContact OG-N 3.4Å; S529-T533 PolarHBondContact OG-O 2.95Å; S529-H561 WeakPolarHBondContact CA-NE2 3.37Å; S529-H561 WeakPolarHBondContact CB-NE2 3.4Å; S529-H561 PolarHBondContact OG-CE1 2.86Å; S529-H561 PolarHBondContact OG-ND1 2.84Å; S529-H561 PolarHBondContact OG-NE2 3.09Å; S529-Q567 PolarHBondContact OG-NE2 3.26Å
530V89.1Confident91.7Very high28 Ų2830.8 Ų30.817%0.1717%0.169CC..THydrogen-bonded Turntrans-70.4-30.2-176.7-178.60000112.8G112 F116 R528 W569G112-V530 VanDerWaalsContact CA-CG2 3.45Å; F116-V530 HydrophobicContact CD2-CG2 3.57Å; F116-V530 HydrophobicContact CE2-CB 4.37Å; F116-V530 HydrophobicContact CE2-CG2 3.45Å; F116-V530 VanDerWaalsContact CE2-CG2 3.45Å; F116-V530 HydrophobicContact CG-CG2 4.19Å; F116-V530 HydrophobicContact CZ-CG2 4.01Å; R528-V530 PolarHBondContact O-N 2.87Å; V530-W569 HydrophobicContact CG2-CH2 3.62Å; V530-W569 HydrophobicContact CG2-CZ2 4.07Å
531D85.8Confident91.8Very high62 Ų6229.2 Ų29.233%0.33216%0.16SC..THydrogen-bonded Turntrans-10011.4175.760.716.9000112.6Y119 S529 T533 N563 Q567Y119-D531 PolarHBondContact OH-OD2 3.41Å; S529-D531 VanDerWaalsContact C-N 3.33Å; S529-D531 PolarHBondContact O-N 2.82Å; S529-D531 PolarHBondContact OG-OD1 3.3Å; D531-T533 PolarHBondContact O-N 3.1Å; D531-T533 WeakPolarHBondContact OD1-CB 3.3Å; D531-T533 WeakPolarHBondContact OD1-CG2 3.27Å; D531-T533 PolarHBondContact OD1-N 3.45Å; D531-T533 PolarHBondContact OD1-OG1 2.87Å; D531-N563 PolarHBondContact OD2-ND2 3.16Å; D531-Q567 PolarHBondContact OD1-NE2 2.77Å; D531-Q567 VanDerWaalsContact OD1-NE2 3.1Å
532G87.1Confident91.7Very high50 Ų5031.3 Ų31.352%0.51517%0.169SC..  trans68.25.3-179.900000115S529S529-G532 PolarHBondContact O-N 2.88Å
533T91.2Very high91.6Very high35 Ų3528.2 Ų28.222%0.21516%0.156CC..  trans-81.1142.9-177.163.20000113.2S529 D531 H561 N563S529-T533 WeakPolarHBondContact CB-O 3.5Å; S529-T533 PolarHBondContact OG-N 3.4Å; S529-T533 PolarHBondContact OG-O 2.95Å; D531-T533 PolarHBondContact O-N 3.1Å; D531-T533 WeakPolarHBondContact OD1-CB 3.3Å; D531-T533 WeakPolarHBondContact OD1-CG2 3.27Å; D531-T533 PolarHBondContact OD1-N 3.45Å; D531-T533 PolarHBondContact OD1-OG1 2.87Å; T533-H561 PolarHBondContact O-CE1 3.44Å; T533-H561 PolarHBondContact O-ND1 2.67Å; T533-H561 VanDerWaalsContact O-ND1 3.11Å; T533-H561 WeakPolarHBondContact OG1-CB 3.27Å; T533-H561 PolarHBondContact OG1-CE1 2.81Å; T533-H561 PolarHBondContact OG1-ND1 3.04Å; T533-N563 HydrophobicContact CG2-CB 4.14Å
534S92.1Very high91.2Very high32 Ų3230.7 Ų30.722%0.22417%0.17CC..  trans-57.6138.9-177.458.30000112.8D509 T510 T536 H561 G562D509-S534 WeakPolarHBondContact O-CB 3.19Å; T510-S534 WeakPolarHBondContact O-CA 3.13Å; S534-T536 PolarHBondContact O-N 3.21Å; S534-H561 VanDerWaalsContact C-CE1 3.49Å; S534-H561 VanDerWaalsContact O-CA 3.29Å; S534-H561 WeakPolarHBondContact O-CA 3.47Å; S534-H561 PolarHBondContact O-CE1 2.87Å; S534-G562 PolarHBondContact O-N 3.45Å
535I93.9Very high90.1Very high0 Ų031.5 Ų31.50%018%0.18CC..EExtended strand (participates in β ladder)trans-91.193.9-177-62.3173.2000108.9R505 T510 D511 L513 A537 F538 G560 H561R505-I535 PolarHBondContact NH1-O 3.21Å; T510-I535 PolarHBondContact O-N 2.96Å; D511-I535 WeakPolarHBondContact O-CD1 3.43Å; L513-I535 HydrophobicContact CD1-CD1 4.17Å; L513-I535 HydrophobicContact CD1-CG2 3.95Å; L513-I535 HydrophobicContact CD2-CG2 4.4Å; L513-I535 HydrophobicContact CG-CD1 3.88Å; L513-I535 HydrophobicContact CG-CG2 4.25Å; I535-A537 WeakPolarHBondContact CG2-O 3.2Å; I535-F538 HydrophobicContact CG2-CD1 4.41Å; I535-G560 CarbonylContact C-O 3.58Å; I535-H561 WeakPolarHBondContact CG1-NE2 3.43Å
536T93.7Very high88.9Confident20 Ų2031.9 Ų31.912%0.12318%0.183CC..EExtended strand (participates in β ladder)trans-76.2-31.3-17552.70000112.7M188 V189 T488 R505 S534 G560M188-T536 HydrophobicContact CE-CG2 3.73Å; V189-T536 WeakPolarHBondContact O-CB 3.35Å; V189-T536 PolarHBondContact O-OG1 2.62Å; T488-T536 WeakPolarHBondContact CG2-O 3.34Å; R505-T536 PolarHBondContact NH1-O 3.09Å; S534-T536 PolarHBondContact O-N 3.21Å; T536-G560 PolarHBondContact N-O 2.91Å; T536-G560 PolarHBondContact OG1-O 3.17Å
537A94.6Very high87.6Confident0 Ų034.7 Ų34.70%021%0.209CC..EExtended strand (participates in β ladder)trans-144.5157.1-179.500000112V189 R190 G487 I535 G560V189-A537 HydrophobicContact CG1-CB 4.14Å; R190-A537 VanDerWaalsContact O-CB 3.24Å; R190-A537 WeakPolarHBondContact O-CB 3.47Å; G487-A537 CarbonylContact O-C 3.56Å; G487-A537 WeakPolarHBondContact O-CA 3.37Å; I535-A537 WeakPolarHBondContact CG2-O 3.2Å; A537-G560 PolarHBondContact N-O 3.26Å; A537-G560 PolarHBondContact O-N 3.42Å
538F96Very high86.2Confident2 Ų242.9 Ų42.91%0.00924%0.24CC..EExtended strand (participates in β ladder)trans-151.5154.6174.950.2-98.6000113.7G487 T488 Y493 I503 R505 L513 I535 L557 F558G487-F538 PolarHBondContact O-N 2.79Å; T488-F538 WeakPolarHBondContact O-CZ 3.47Å; Y493-F538 PolarHBondContact OH-O 2.77Å; I503-F538 HydrophobicContact CB-CD2 3.87Å; I503-F538 HydrophobicContact CB-CE2 3.72Å; I503-F538 HydrophobicContact CB-CZ 4.46Å; I503-F538 HydrophobicContact CG1-CD2 4.32Å; I503-F538 HydrophobicContact CG2-CD1 4.32Å; I503-F538 HydrophobicContact CG2-CD2 3.51Å; I503-F538 HydrophobicContact CG2-CE1 4.37Å; I503-F538 HydrophobicContact CG2-CE2 3.56Å; I503-F538 HydrophobicContact CG2-CG 3.91Å; I503-F538 HydrophobicContact CG2-CZ 4Å; R505-F538 HydrophobicContact CB-CE1 3.88Å; R505-F538 HydrophobicContact CB-CZ 4.43Å; L513-F538 HydrophobicContact CD1-CB 4Å; L513-F538 HydrophobicContact CD1-CD1 4.08Å; L513-F538 HydrophobicContact CD1-CG 4.15Å; L513-F538 HydrophobicContact CD2-CD1 3.95Å; L513-F538 HydrophobicContact CD2-CE1 4.08Å; I535-F538 HydrophobicContact CG2-CD1 4.41Å; F538-L557 HydrophobicContact CB-CD1 4.17Å; F538-F558 CarbonylContact C-O 3.47Å; F538-F558 VanDerWaalsContact CA-O 3.27Å; F538-F558 WeakPolarHBondContact CA-O 3.47Å
539M95.2Very high84.1Confident40 Ų4047.1 Ų47.120%0.19727%0.267CS..EExtended strand (participates in β ladder)trans-151.1132.1171.8171.4164.7-8100111.1I192 G194 Y493 H541 F558I192-M539 HydrophobicContact CB-CB 4.02Å; I192-M539 HydrophobicContact CG2-CB 3.98Å; I192-M539 HydrophobicContact CG2-SD 4.41Å; I192-M539 WeakPolarHBondContact O-CE 3.33Å; G194-M539 PolarHBondContact N-SD 3Å; Y493-M539 HydrophobicContact CE1-CG 4.42Å; M539-H541 HydrophobicContact CG-CB 4.1Å; M539-H541 HydrophobicContact SD-CB 4.3Å; M539-F558 PolarHBondContact N-O 3.02Å; M539-F558 PolarHBondContact O-N 2.89Å
540V95.5Very high82.5Confident11 Ų1150.3 Ų50.37%0.06730%0.301CS..EExtended strand (participates in β ladder)trans-87.9126.9160.1174.90000108.9Y493 V501 I503 R555 Y556 L557 L571Y493-V540 HydrophobicContact CD1-CB 3.95Å; Y493-V540 WeakPolarHBondContact CD1-O 3.32Å; Y493-V540 HydrophobicContact CD2-CB 4.22Å; Y493-V540 HydrophobicContact CD2-CG2 4.25Å; Y493-V540 HydrophobicContact CG-CB 3.73Å; Y493-V540 HydrophobicContact CG-CG2 4.24Å; V501-V540 HydrophobicContact CG2-CG2 4.14Å; I503-V540 HydrophobicContact CD1-CG2 3.63Å; I503-V540 HydrophobicContact CG1-CG2 3.81Å; V540-R555 HydrophobicContact CG1-CG 3.54Å; V540-Y556 CarbonylContact C-O 3.55Å; V540-Y556 WeakPolarHBondContact CA-O 3.39Å; V540-L557 HydrophobicContact CG2-CB 4.23Å; V540-L557 HydrophobicContact CG2-CD1 3.88Å; V540-L571 HydrophobicContact CB-CD2 4.47Å; V540-L571 HydrophobicContact CG1-CD2 3.71Å; V540-L571 HydrophobicContact CG2-CD2 3.86Å
541H93.8Very high81.3Confident29 Ų2951.7 Ų51.713%0.13431%0.313CS..EExtended strand (participates in β ladder)trans-141.4149179.8177.253.9000111.5H195 H196 M539 Y556 F558H195-H541 PolarHBondContact N-NE2 3.24Å; H196-H541 PolarHBondContact O-NE2 3.26Å; M539-H541 HydrophobicContact CG-CB 4.1Å; M539-H541 HydrophobicContact SD-CB 4.3Å; H541-Y556 PolarHBondContact N-O 3.12Å; H541-Y556 PolarHBondContact O-N 3.02Å; H541-F558 HydrophobicContact CB-CD2 4.39Å; H541-F558 HydrophobicContact CB-CE2 4.1Å
542E90.3Very high80.6Confident46 Ų4657.9 Ų57.922%0.21533%0.331CS..EExtended strand (participates in β ladder)trans-107.7121.7-177.1-164.1138.9167.500111.5P553 R555E542-P553 HydrophobicContact CG-CB 4.02Å; E542-P553 WeakPolarHBondContact OE1-CB 3.43Å; E542-R555 IonicContact OE1-NH2 3.69Å; E542-R555 IonicContact OE2-CZ 2.74Å; E542-R555 IonicContact OE2-NE 3.92Å; E542-R555 PolarHBondContact OE2-NE 3.06Å; E542-R555 IonicContact OE2-NH2 3.97Å; E542-R555 PolarHBondContact OE2-NH2 2.93Å
543C87.9Confident80.3Confident7 Ų758.5 Ų58.55%0.04733%0.326CS..EExtended strand (participates in β ladder)trans-96.4133.1177.7-65.80000109.8N197 P553 R554 Y556N197-C543 WeakPolarHBondContact OD1-CA 3.23Å; N197-C543 WeakPolarHBondContact OD1-CB 3.32Å; C543-P553 VanDerWaalsContact O-CA 3.25Å; C543-P553 WeakPolarHBondContact O-CA 3.22Å; C543-P553 WeakPolarHBondContact O-CB 3.11Å; C543-R554 PolarHBondContact N-O 2.85Å; C543-R554 PolarHBondContact O-N 3.02Å; C543-Y556 HydrophobicContact CB-CD2 4.34Å; C543-Y556 HydrophobicContact CB-CE2 4.3Å
544E82.7Confident80.2Confident92 Ų9262.5 Ų62.543%0.4334%0.337SS..PPolyproline II helixtrans-59.2138173.7-70174.5140.100109.7H196 N197 K239H196-E544 VanDerWaalsContact CD2-CD 3.42Å; H196-E544 IonicContact CD2-OE1 2.68Å; H196-E544 PolarHBondContact CD2-OE1 3.25Å; H196-E544 VanDerWaalsContact CD2-OE1 3.26Å; H196-E544 IonicContact CD2-OE2 3.01Å; H196-E544 PolarHBondContact CD2-OE2 3.16Å; H196-E544 IonicContact NE2-OE1 3.98Å; N197-E544 PolarHBondContact ND2-O 3.21Å; N197-E544 VanDerWaalsContact ND2-O 3.12Å; N197-E544 PolarHBondContact OD1-N 2.91Å; N197-E544 PolarHBondContact OD1-O 2.85Å; K239-E544 IonicContact NZ-OE1 3.52Å; K239-E544 PolarHBondContact NZ-OE1 2.87Å
545G67.8Low80.2Confident27 Ų2761.3 Ų61.328%0.27833%0.328SS..PPolyproline II helixtrans-60166.6175.200000113
546S66.3Low80.2Confident28 Ų2862 Ų6220%0.19633%0.331CS..PPolyproline II helixtrans-58.2149.8169.2169.90000110.6E214 R548 S551E214-S546 WeakPolarHBondContact OE1-CA 3.45Å; E214-S546 WeakPolarHBondContact OE1-CB 3.24Å; E214-S546 PolarHBondContact OE1-OG 2.94Å; E214-S546 PolarHBondContact OE2-OG 3.47Å; S546-R548 PolarHBondContact O-N 3.44Å; S546-R548 WeakPolarHBondContact OG-CB 3.4Å; S546-R548 VanDerWaalsContact OG-CD 3.23Å; S546-R548 WeakPolarHBondContact OG-CD 3.41Å; S546-R548 WeakPolarHBondContact OG-CG 3.31Å; S546-R548 PolarHBondContact OG-N 3.06Å; S546-R548 VanDerWaalsContact OG-N 3.16Å; S546-R548 PolarHBondContact OG-NE 3.4Å; S546-S551 WeakPolarHBondContact CB-OG 3.38Å; S546-S551 PolarHBondContact N-OG 2.73Å; S546-S551 VanDerWaalsContact O-CB 3.27Å; S546-S551 WeakPolarHBondContact O-CB 3.34Å
547S62.1Low80.3Confident120 Ų12061.1 Ų61.184%0.83933%0.325SS*.SBendtrans-67.8-3.8172.760.40000113.6E214E214-S547 PolarHBondContact OE1-N 3.05Å
548R62.4Low80.4Confident173 Ų17361.1 Ų61.165%0.65333%0.325SS*.SBendtrans-67134.9171.4-63.9163.9-159-106.1-2.3110.7E214 S546 G550 S551E214-R548 IonicContact OE2-CZ 2.76Å; E214-R548 IonicContact OE2-NE 2.67Å; E214-R548 PolarHBondContact OE2-NE 3.11Å; E214-R548 IonicContact OE2-NH2 2.69Å; E214-R548 PolarHBondContact OE2-NH2 2.92Å; S546-R548 PolarHBondContact O-N 3.44Å; S546-R548 WeakPolarHBondContact OG-CB 3.4Å; S546-R548 VanDerWaalsContact OG-CD 3.23Å; S546-R548 WeakPolarHBondContact OG-CD 3.41Å; S546-R548 WeakPolarHBondContact OG-CG 3.31Å; S546-R548 PolarHBondContact OG-N 3.06Å; S546-R548 VanDerWaalsContact OG-N 3.16Å; S546-R548 PolarHBondContact OG-NE 3.4Å; R548-G550 PolarHBondContact O-N 3.5Å; R548-S551 WeakPolarHBondContact O-CB 3.36Å; R548-S551 PolarHBondContact O-N 2.89Å; R548-S551 VanDerWaalsContact O-N 3.09Å
549I47.4Very low80.5Confident180 Ų18061 Ų6192%0.92333%0.325SS*.THydrogen-bonded Turntrans-51.3126.7179.9-168.365.6000111.7
550G56.8Low80.5Confident74 Ų7459.1 Ų59.176%0.76332%0.315SS*.THydrogen-bonded Turntrans85.1-0.2179.300000116.5R548 R552R548-G550 PolarHBondContact O-N 3.5Å; G550-R552 PolarHBondContact O-N 2.89Å
551S65.6Low80.5Confident58 Ų5858.6 Ų58.641%0.40631%0.312SS..PPolyproline II helixtrans-67.9124.3170.4-158.70000110.6S546 R548S546-S551 WeakPolarHBondContact CB-OG 3.38Å; S546-S551 PolarHBondContact N-OG 2.73Å; S546-S551 VanDerWaalsContact O-CB 3.27Å; S546-S551 WeakPolarHBondContact O-CB 3.34Å; R548-S551 WeakPolarHBondContact O-CB 3.36Å; R548-S551 PolarHBondContact O-N 2.89Å; R548-S551 VanDerWaalsContact O-N 3.09Å
552R70.8Confident80.4Confident191 Ų19158.1 Ų58.172%0.72132%0.316SS*.PPolyproline II helixtrans-88.5152.4172.9-65.8-177.7177.4-179.7-2.8110.2G550G550-R552 PolarHBondContact O-N 2.89Å
553P81.3Confident80.5Confident64 Ų6458.7 Ų58.742%0.41632%0.32SS..PPolyproline II helixtrans-51.2153.8162.1-24.435000111.7E542 C543E542-P553 HydrophobicContact CG-CB 4.02Å; E542-P553 WeakPolarHBondContact OE1-CB 3.43Å; C543-P553 VanDerWaalsContact O-CA 3.25Å; C543-P553 WeakPolarHBondContact O-CA 3.22Å; C543-P553 WeakPolarHBondContact O-CB 3.11Å
554R87.3Confident80.7Confident118 Ų11858.4 Ų58.445%0.44532%0.318SS..EExtended strand (participates in β ladder)trans-125.3129.2171.8-76.1-169.9-179.5-115.8-1110.4C543 Y556 D570C543-R554 PolarHBondContact N-O 2.85Å; C543-R554 PolarHBondContact O-N 3.02Å; R554-Y556 HydrophobicContact CB-CD2 4.45Å; R554-Y556 HydrophobicContact CB-CE2 3.8Å; R554-Y556 VanDerWaalsContact CD-OH 3.29Å; R554-Y556 WeakPolarHBondContact CD-OH 3.34Å; R554-D570 IonicContact CZ-OD2 3.52Å; R554-D570 IonicContact NH1-OD1 2.67Å; R554-D570 IonicContact NH1-OD2 3.19Å; R554-D570 PolarHBondContact NH1-OD2 2.87Å
555R92.4Very high81.3Confident7 Ų754 Ų543%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-90.4120.4173.7-168.7173.7-64.8149.47.8108.6D498 Q499 V540 E542 L571 T572D498-R555 IonicContact OD2-CZ 2.86Å; D498-R555 IonicContact OD2-NH1 3.46Å; D498-R555 PolarHBondContact OD2-NH1 3.45Å; D498-R555 IonicContact OD2-NH2 2.68Å; D498-R555 PolarHBondContact OD2-NH2 3.22Å; Q499-R555 PolarHBondContact O-NH1 2.56Å; V540-R555 HydrophobicContact CG1-CG 3.54Å; E542-R555 IonicContact OE1-NH2 3.69Å; E542-R555 IonicContact OE2-CZ 2.74Å; E542-R555 IonicContact OE2-NE 3.92Å; E542-R555 PolarHBondContact OE2-NE 3.06Å; E542-R555 IonicContact OE2-NH2 3.97Å; E542-R555 PolarHBondContact OE2-NH2 2.93Å; R555-L571 HydrophobicContact CG-CB 4.42Å; R555-L571 HydrophobicContact CG-CD2 4.08Å; R555-L571 HydrophobicContact CG-CG 4.45Å; R555-L571 WeakPolarHBondContact O-CB 3.3Å; R555-L571 PolarHBondContact O-N 3.19Å; R555-T572 PolarHBondContact N-OG1 3Å; R555-T572 PolarHBondContact O-N 3.03Å
556Y94.3Very high82.7Confident14 Ų1452.8 Ų52.86%0.05529%0.285CS..EExtended strand (participates in β ladder)trans-110.7138.5176.7-67.9-66.2000110.1N117 V540 H541 C543 R554 F558 W569 D570N117-Y556 HydrophobicContact CB-CE1 4.07Å; N117-Y556 WeakPolarHBondContact ND2-CE1 3.28Å; V540-Y556 CarbonylContact C-O 3.55Å; V540-Y556 WeakPolarHBondContact CA-O 3.39Å; H541-Y556 PolarHBondContact N-O 3.12Å; H541-Y556 PolarHBondContact O-N 3.02Å; C543-Y556 HydrophobicContact CB-CD2 4.34Å; C543-Y556 HydrophobicContact CB-CE2 4.3Å; R554-Y556 HydrophobicContact CB-CD2 4.45Å; R554-Y556 HydrophobicContact CB-CE2 3.8Å; R554-Y556 VanDerWaalsContact CD-OH 3.29Å; R554-Y556 WeakPolarHBondContact CD-OH 3.34Å; Y556-F558 HydrophobicContact CD2-CZ 4.46Å; Y556-F558 HydrophobicContact CG-CZ 4.43Å; Y556-W569 CarbonylContact C-O 3.58Å; Y556-W569 VanDerWaalsContact CA-O 3.31Å; Y556-W569 WeakPolarHBondContact CA-O 3.27Å; Y556-D570 HydrophobicContact CE1-CB 4.27Å
557L96.4Very high84.1Confident2 Ų251.4 Ų51.41%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-90.1124.1156.2169.763.9000107.3I503 L513 V515 V527 F538 V540 W569I503-L557 HydrophobicContact CD1-CD1 3.99Å; I503-L557 HydrophobicContact CD1-CD2 4.1Å; I503-L557 HydrophobicContact CG1-CD1 4.3Å; L513-L557 HydrophobicContact CD1-CD2 4.3Å; V515-L557 HydrophobicContact CG2-CD2 3.98Å; V527-L557 HydrophobicContact CB-CD2 4.39Å; V527-L557 HydrophobicContact CG1-CD2 4.38Å; V527-L557 HydrophobicContact CG2-CD2 4.14Å; F538-L557 HydrophobicContact CB-CD1 4.17Å; V540-L557 HydrophobicContact CG2-CB 4.23Å; V540-L557 HydrophobicContact CG2-CD1 3.88Å; L557-W569 HydrophobicContact CB-CB 4.2Å; L557-W569 PolarHBondContact N-O 2.94Å; L557-W569 PolarHBondContact O-N 2.75Å
558F96.8Very high85.7Confident0 Ų046 Ų460%024%0.237CC..EExtended strand (participates in β ladder)trans-99.7126.4168.2-60.9-94.2000107.9I192 I199 W218 F538 M539 H541 Y556 I566 Q567 M568I192-F558 HydrophobicContact CD1-CB 3.91Å; I192-F558 HydrophobicContact CG2-CB 4.24Å; I199-F558 HydrophobicContact CD1-CD1 3.9Å; I199-F558 HydrophobicContact CD1-CE1 3.81Å; I199-F558 HydrophobicContact CG2-CE1 4.15Å; I199-F558 HydrophobicContact CG2-CE2 4.06Å; I199-F558 HydrophobicContact CG2-CZ 3.86Å; W218-F558 HydrophobicContact CH2-CE1 4.4Å; W218-F558 AromaticContact CH2-CZ 3.95Å; W218-F558 HydrophobicContact CH2-CZ 3.95Å; W218-F558 HydrophobicContact CZ2-CE1 4.06Å; W218-F558 AromaticContact CZ2-CZ 3.65Å; W218-F558 HydrophobicContact CZ2-CZ 3.65Å; F538-F558 CarbonylContact C-O 3.47Å; F538-F558 VanDerWaalsContact CA-O 3.27Å; F538-F558 WeakPolarHBondContact CA-O 3.47Å; M539-F558 PolarHBondContact N-O 3.02Å; M539-F558 PolarHBondContact O-N 2.89Å; H541-F558 HydrophobicContact CB-CD2 4.39Å; H541-F558 HydrophobicContact CB-CE2 4.1Å; Y556-F558 HydrophobicContact CD2-CZ 4.46Å; Y556-F558 HydrophobicContact CG-CZ 4.43Å; F558-I566 HydrophobicContact CB-CG2 4.22Å; F558-I566 HydrophobicContact CD1-CG2 4.22Å; F558-Q567 WeakPolarHBondContact CA-O 3.4Å; F558-M568 HydrophobicContact CD1-CG 3.72Å; F558-M568 HydrophobicContact CE1-CG 3.75Å; F558-M568 HydrophobicContact CE1-SD 4.28Å
559S96.4Very high87.2Confident0 Ų037.9 Ų37.90%021%0.206CC..EExtended strand (participates in β ladder)trans-106.9128.5167.153.80000109.2H561 I566 Q567 W569S559-H561 PolarHBondContact O-CD2 3.35Å; S559-I566 CarbonylContact O-C 3.56Å; S559-I566 WeakPolarHBondContact O-CA 3.1Å; S559-I566 WeakPolarHBondContact O-CG2 3.12Å; S559-Q567 PolarHBondContact N-O 2.82Å; S559-Q567 PolarHBondContact O-N 2.94Å; S559-W569 PolarHBondContact OG-NE1 2.9Å
560G95.8Very high89.4Confident0 Ų029.6 Ų29.60%016%0.164CC..EExtended strand (participates in β ladder)trans-100.5140.617200000109.6I535 T536 A537I535-G560 CarbonylContact C-O 3.58Å; T536-G560 PolarHBondContact N-O 2.91Å; T536-G560 PolarHBondContact OG1-O 3.17Å; A537-G560 PolarHBondContact N-O 3.26Å; A537-G560 PolarHBondContact O-N 3.42Å
561H95.1Very high91.1Very high0 Ų026.2 Ų26.20%013%0.128CC..EExtended strand (participates in β ladder)trans-119.5159.5-166-64.2-98.2000113.3V189 S529 T533 S534 I535 S559 N563 G564 S565 Q567V189-H561 PolarHBondContact N-O 3.14Å; S529-H561 WeakPolarHBondContact CA-NE2 3.37Å; S529-H561 WeakPolarHBondContact CB-NE2 3.4Å; S529-H561 PolarHBondContact OG-CE1 2.86Å; S529-H561 PolarHBondContact OG-ND1 2.84Å; S529-H561 PolarHBondContact OG-NE2 3.09Å; T533-H561 PolarHBondContact O-CE1 3.44Å; T533-H561 PolarHBondContact O-ND1 2.67Å; T533-H561 VanDerWaalsContact O-ND1 3.11Å; T533-H561 WeakPolarHBondContact OG1-CB 3.27Å; T533-H561 PolarHBondContact OG1-CE1 2.81Å; T533-H561 PolarHBondContact OG1-ND1 3.04Å; S534-H561 VanDerWaalsContact C-CE1 3.49Å; S534-H561 VanDerWaalsContact O-CA 3.29Å; S534-H561 WeakPolarHBondContact O-CA 3.47Å; S534-H561 PolarHBondContact O-CE1 2.87Å; I535-H561 WeakPolarHBondContact CG1-NE2 3.43Å; S559-H561 PolarHBondContact O-CD2 3.35Å; H561-N563 WeakPolarHBondContact CB-OD1 3.45Å; H561-N563 PolarHBondContact O-N 3.09Å; H561-G564 PolarHBondContact O-N 3.3Å; H561-S565 PolarHBondContact N-O 2.88Å; H561-Q567 PolarHBondContact NE2-NE2 3.04Å; H561-Q567 PolarHBondContact NE2-OE1 2.94Å
562G92.8Very high92.4Very high20 Ų2025.3 Ų25.321%0.20612%0.12CC..THydrogen-bonded Turntrans-59.2-30.2176.200000113.8S534 G564S534-G562 PolarHBondContact O-N 3.45Å; G562-G564 PolarHBondContact O-N 3.02Å
563N91.9Very high93.3Very high58 Ų5818.4 Ų18.431%0.3110%0.099SC..THydrogen-bonded Turntrans-76-3.2174.870.30.5000114.4P122 D531 T533 H561 S565P122-N563 WeakPolarHBondContact CB-O 3.44Å; P122-N563 WeakPolarHBondContact CG-O 3.5Å; D531-N563 PolarHBondContact OD2-ND2 3.16Å; T533-N563 HydrophobicContact CG2-CB 4.14Å; H561-N563 WeakPolarHBondContact CB-OD1 3.45Å; H561-N563 PolarHBondContact O-N 3.09Å; N563-S565 VanDerWaalsContact OD1-CB 3.23Å; N563-S565 WeakPolarHBondContact OD1-CB 3.18Å; N563-S565 PolarHBondContact OD1-N 3.32Å; N563-S565 PolarHBondContact OD1-OG 3.32Å
564G93.4Very high93.8Very high1 Ų115.5 Ų15.51%0.018%0.081CC..SBendtrans87.6-1.1-178.700000116.1G187 Y203 H561 G562G187-G564 WeakPolarHBondContact O-CA 3.3Å; G187-G564 PolarHBondContact O-N 2.98Å; Y203-G564 WeakPolarHBondContact CE1-O 3.09Å; Y203-G564 PolarHBondContact OH-O 3.14Å; H561-G564 PolarHBondContact O-N 3.3Å; G562-G564 PolarHBondContact O-N 3.02Å
565S94.8Very high93.9Very high0 Ų011 Ų110%07%0.065CC..  trans-76.4161.4174.873.10000112.3Y119 L120 V189 H561 N563Y119-S565 WeakPolarHBondContact OH-CB 3.23Å; L120-S565 WeakPolarHBondContact O-CA 3.43Å; L120-S565 WeakPolarHBondContact O-CB 3.43Å; V189-S565 WeakPolarHBondContact CG2-O 3.44Å; H561-S565 PolarHBondContact N-O 2.88Å; N563-S565 VanDerWaalsContact OD1-CB 3.23Å; N563-S565 WeakPolarHBondContact OD1-CB 3.18Å; N563-S565 PolarHBondContact OD1-N 3.32Å; N563-S565 PolarHBondContact OD1-OG 3.32Å
566I96.7Very high93.7Very high0 Ų014.8 Ų14.80%08%0.083CC..EExtended strand (participates in β ladder)trans-121.8127.4167.7-47.8104.2000109L120 V189 I192 V201 Y210 F558 S559L120-I566 HydrophobicContact CB-CB 4.15Å; L120-I566 HydrophobicContact CB-CD1 3.87Å; L120-I566 HydrophobicContact CD1-CB 4.31Å; L120-I566 HydrophobicContact CD1-CD1 4.08Å; L120-I566 PolarHBondContact N-O 2.82Å; L120-I566 PolarHBondContact O-N 2.8Å; V189-I566 HydrophobicContact CG2-CG1 4.39Å; I192-I566 HydrophobicContact CD1-CG2 4.14Å; V201-I566 HydrophobicContact CG1-CD1 4.16Å; V201-I566 HydrophobicContact CG1-CG1 4.09Å; V201-I566 HydrophobicContact CG2-CD1 4.07Å; V201-I566 HydrophobicContact CG2-CG1 4.15Å; Y210-I566 HydrophobicContact CE2-CD1 4Å; F558-I566 HydrophobicContact CB-CG2 4.22Å; F558-I566 HydrophobicContact CD1-CG2 4.22Å; S559-I566 CarbonylContact O-C 3.56Å; S559-I566 WeakPolarHBondContact O-CA 3.1Å; S559-I566 WeakPolarHBondContact O-CG2 3.12Å
567Q95.6Very high93.3Very high0 Ų018.1 Ų18.10%010%0.101CC..EExtended strand (participates in β ladder)trans-106.6147174.5-62.2177.229.300110F116 Y119 S529 D531 F558 S559 H561 W569F116-Q567 HydrophobicContact CE2-CB 4.05Å; F116-Q567 HydrophobicContact CE2-CG 4.27Å; Y119-Q567 HydrophobicContact CD2-CG 3.83Å; Y119-Q567 HydrophobicContact CE2-CG 4.01Å; S529-Q567 PolarHBondContact OG-NE2 3.26Å; D531-Q567 PolarHBondContact OD1-NE2 2.77Å; D531-Q567 VanDerWaalsContact OD1-NE2 3.1Å; F558-Q567 WeakPolarHBondContact CA-O 3.4Å; S559-Q567 PolarHBondContact N-O 2.82Å; S559-Q567 PolarHBondContact O-N 2.94Å; H561-Q567 PolarHBondContact NE2-NE2 3.04Å; H561-Q567 PolarHBondContact NE2-OE1 2.94Å; Q567-W569 HydrophobicContact CB-CZ2 4.3Å
568M95Very high92.7Very high5 Ų519.2 Ų19.23%0.02511%0.11CC..EExtended strand (participates in β ladder)trans-125.6131.3-169.9-68.2163.533.300111.8N117 G118 L120 W218 F558N117-M568 PolarHBondContact N-O 2.9Å; N117-M568 WeakPolarHBondContact ND2-CE 3.32Å; G118-M568 PolarHBondContact N-O 2.98Å; G118-M568 PolarHBondContact O-N 3.48Å; L120-M568 HydrophobicContact CG-SD 4.47Å; W218-M568 HydrophobicContact CG-CE 4.44Å; W218-M568 HydrophobicContact CG-SD 4.25Å; F558-M568 HydrophobicContact CD1-CG 3.72Å; F558-M568 HydrophobicContact CE1-CG 3.75Å; F558-M568 HydrophobicContact CE1-SD 4.28Å
569W95.1Very high91.8Very high4 Ų422.5 Ų22.52%0.01514%0.144CC..EExtended strand (participates in β ladder)trans-129.3126.9-172-50.791.4000111.2L115 F116 V527 R528 V530 Y556 L557 S559 Q567 L571L115-W569 CarbonylContact O-C 3.44Å; L115-W569 WeakPolarHBondContact O-CA 3.21Å; F116-W569 HydrophobicContact CB-CE3 4.08Å; F116-W569 HydrophobicContact CB-CH2 4.46Å; F116-W569 HydrophobicContact CB-CZ3 3.81Å; F116-W569 HydrophobicContact CD2-CD2 4.3Å; F116-W569 HydrophobicContact CD2-CE3 4.09Å; F116-W569 AromaticContact CD2-CH2 3.67Å; F116-W569 HydrophobicContact CD2-CH2 3.67Å; F116-W569 AromaticContact CD2-CZ2 3.88Å; F116-W569 HydrophobicContact CD2-CZ2 3.88Å; F116-W569 AromaticContact CD2-CZ3 3.79Å; F116-W569 HydrophobicContact CD2-CZ3 3.79Å; F116-W569 HydrophobicContact CE2-CH2 4.43Å; F116-W569 HydrophobicContact CE2-CZ2 4.32Å; F116-W569 HydrophobicContact CG-CH2 4.49Å; F116-W569 HydrophobicContact CG-CZ3 4.28Å; V527-W569 HydrophobicContact CB-CD2 4.45Å; V527-W569 HydrophobicContact CG1-CD2 3.62Å; V527-W569 HydrophobicContact CG1-CE3 4.22Å; V527-W569 HydrophobicContact CG1-CG 3.9Å; V527-W569 HydrophobicContact CG1-CH2 4.37Å; V527-W569 HydrophobicContact CG1-CZ2 3.8Å; V527-W569 HydrophobicContact CG2-CB 4.32Å; V527-W569 HydrophobicContact CG2-CD2 4.04Å; V527-W569 HydrophobicContact CG2-CE3 4.18Å; V527-W569 HydrophobicContact CG2-CG 4.08Å; R528-W569 WeakPolarHBondContact O-CH2 3.43Å; R528-W569 WeakPolarHBondContact O-CZ2 3.22Å; V530-W569 HydrophobicContact CG2-CH2 3.62Å; V530-W569 HydrophobicContact CG2-CZ2 4.07Å; Y556-W569 CarbonylContact C-O 3.58Å; Y556-W569 VanDerWaalsContact CA-O 3.31Å; Y556-W569 WeakPolarHBondContact CA-O 3.27Å; L557-W569 HydrophobicContact CB-CB 4.2Å; L557-W569 PolarHBondContact N-O 2.94Å; L557-W569 PolarHBondContact O-N 2.75Å; S559-W569 PolarHBondContact OG-NE1 2.9Å; Q567-W569 HydrophobicContact CB-CZ2 4.3Å; W569-L571 PolarHBondContact O-N 3.02Å; W569-L571 VanDerWaalsContact O-N 3.08Å
570D92.9Very high91Very high6 Ų629.5 Ų29.53%0.03217%0.174CC..EExtended strand (participates in β ladder)trans-78.290.8-178.9-163.4-71.6000111.1L115 N117 R554 Y556 T573 A574L115-D570 PolarHBondContact O-N 3.33Å; N117-D570 HydrophobicContact CB-CB 4.4Å; R554-D570 IonicContact CZ-OD2 3.52Å; R554-D570 IonicContact NH1-OD1 2.67Å; R554-D570 IonicContact NH1-OD2 3.19Å; R554-D570 PolarHBondContact NH1-OD2 2.87Å; Y556-D570 HydrophobicContact CE1-CB 4.27Å; D570-T573 PolarHBondContact O-N 2.84Å; D570-T573 WeakPolarHBondContact OD1-CB 3.24Å; D570-T573 PolarHBondContact OD1-N 2.75Å; D570-T573 PolarHBondContact OD1-OG1 2.96Å; D570-A574 PolarHBondContact O-N 2.88Å
571L93.5Very high89.8Confident3 Ų333.4 Ų33.42%0.01620%0.198CC..Hα-helixtrans-74.1-28.6-177.4178.458000111.8V501 V515 V524 V540 R555 W569 T573 A574 M575V501-L571 HydrophobicContact CG2-CD2 3.88Å; V515-L571 HydrophobicContact CG1-CD1 3.75Å; V515-L571 HydrophobicContact CG1-CD2 4.4Å; V524-L571 HydrophobicContact CG1-CD1 4.19Å; V540-L571 HydrophobicContact CB-CD2 4.47Å; V540-L571 HydrophobicContact CG1-CD2 3.71Å; V540-L571 HydrophobicContact CG2-CD2 3.86Å; R555-L571 HydrophobicContact CG-CB 4.42Å; R555-L571 HydrophobicContact CG-CD2 4.08Å; R555-L571 HydrophobicContact CG-CG 4.45Å; R555-L571 WeakPolarHBondContact O-CB 3.3Å; R555-L571 PolarHBondContact O-N 3.19Å; W569-L571 PolarHBondContact O-N 3.02Å; W569-L571 VanDerWaalsContact O-N 3.08Å; L571-T573 VanDerWaalsContact C-N 3.34Å; L571-T573 PolarHBondContact O-N 2.87Å; L571-A574 HydrophobicContact CD1-CB 4.23Å; L571-A574 PolarHBondContact O-N 2.9Å; L571-M575 HydrophobicContact CD1-CG 3.84Å; L571-M575 HydrophobicContact CD1-SD 4.12Å; L571-M575 HydrophobicContact CD2-SD 4.36Å; L571-M575 HydrophobicContact CG-CG 4.15Å; L571-M575 HydrophobicContact CG-SD 3.86Å; L571-M575 WeakPolarHBondContact O-CB 3.37Å; L571-M575 VanDerWaalsContact O-CG 3.3Å; L571-M575 WeakPolarHBondContact O-CG 3.16Å; L571-M575 PolarHBondContact O-N 2.93Å
572T91.9Very high88Confident38 Ų3839 Ų3923%0.23323%0.228CC..Hα-helixtrans-55.7-48.7171.3-64.30000111.2R555 M575 E576R555-T572 PolarHBondContact N-OG1 3Å; R555-T572 PolarHBondContact O-N 3.03Å; T572-M575 PolarHBondContact O-N 3Å; T572-E576 PolarHBondContact O-N 3.37Å
573T90.6Very high86.3Confident47 Ų4741 Ų4129%0.28823%0.233SC..Hα-helixtrans-65.6-40.2179-56.80000111.4L115 D570 L571 E576 I577L115-T573 HydrophobicContact CD2-CG2 4.21Å; D570-T573 PolarHBondContact O-N 2.84Å; D570-T573 WeakPolarHBondContact OD1-CB 3.24Å; D570-T573 PolarHBondContact OD1-N 2.75Å; D570-T573 PolarHBondContact OD1-OG1 2.96Å; L571-T573 VanDerWaalsContact C-N 3.34Å; L571-T573 PolarHBondContact O-N 2.87Å; T573-E576 PolarHBondContact O-N 3.39Å; T573-I577 HydrophobicContact CG2-CD1 4.01Å; T573-I577 VanDerWaalsContact O-CG1 3.3Å; T573-I577 WeakPolarHBondContact O-CG1 3.31Å; T573-I577 PolarHBondContact O-N 3.3Å
574A91.3Very high84.5Confident3 Ų349.4 Ų49.43%0.02526%0.261CS..Hα-helixtrans-62.3-45.117600000112.8L115 V524 C525 D570 L571 I577 A578L115-A574 HydrophobicContact CD1-CB 3.67Å; L115-A574 HydrophobicContact CD2-CB 3.81Å; L115-A574 HydrophobicContact CG-CB 4.37Å; V524-A574 HydrophobicContact CG1-CB 4.14Å; C525-A574 HydrophobicContact CB-CB 4.02Å; D570-A574 PolarHBondContact O-N 2.88Å; L571-A574 HydrophobicContact CD1-CB 4.23Å; L571-A574 PolarHBondContact O-N 2.9Å; A574-I577 PolarHBondContact O-N 2.69Å; A574-A578 WeakPolarHBondContact O-CB 3.46Å; A574-A578 PolarHBondContact O-N 2.84Å
575M89.5Confident82.6Confident22 Ų2251.2 Ų51.211%0.10828%0.276CS..Hα-helixtrans-65.9-38.9177.2-69.4176.970.800111.7Q499 V501 L517 V524 L571 T572 I577 A578 G579Q499-M575 HydrophobicContact CB-CE 3.53Å; Q499-M575 WeakPolarHBondContact O-CE 3.42Å; V501-M575 HydrophobicContact CG1-CE 4.19Å; V501-M575 HydrophobicContact CG1-SD 4.08Å; L517-M575 HydrophobicContact CD2-CE 4.44Å; V524-M575 HydrophobicContact CG1-CB 4.45Å; V524-M575 HydrophobicContact CG1-CG 3.74Å; L571-M575 HydrophobicContact CD1-CG 3.84Å; L571-M575 HydrophobicContact CD1-SD 4.12Å; L571-M575 HydrophobicContact CD2-SD 4.36Å; L571-M575 HydrophobicContact CG-CG 4.15Å; L571-M575 HydrophobicContact CG-SD 3.86Å; L571-M575 WeakPolarHBondContact O-CB 3.37Å; L571-M575 VanDerWaalsContact O-CG 3.3Å; L571-M575 WeakPolarHBondContact O-CG 3.16Å; L571-M575 PolarHBondContact O-N 2.93Å; T572-M575 PolarHBondContact O-N 3Å; M575-I577 VanDerWaalsContact C-N 3.32Å; M575-I577 PolarHBondContact O-N 3.43Å; M575-A578 PolarHBondContact O-N 3.07Å; M575-G579 PolarHBondContact O-N 3.48Å
576E88.7Confident81.1Confident88 Ų8856.8 Ų56.841%0.41131%0.305SS..Hα-helixtrans-62.3-35.8172.6-88.1-153.2-148.600113.2T572 T573 K580T572-E576 PolarHBondContact O-N 3.37Å; T573-E576 PolarHBondContact O-N 3.39Å; E576-K580 WeakPolarHBondContact O-CD 2.93Å; E576-K580 WeakPolarHBondContact O-CE 3.01Å; E576-K580 WeakPolarHBondContact O-CG 3.28Å; E576-K580 IonicContact OE2-NZ 3.72Å; E576-K580 PolarHBondContact OE2-NZ 3.23Å
577I86Confident80Confident84 Ų8457.6 Ų57.643%0.43131%0.313SS..Hα-helixtrans-72.6-48176.5-68.6163.9000110.4T573 A574 M575 G579 K580 V581T573-I577 HydrophobicContact CG2-CD1 4.01Å; T573-I577 VanDerWaalsContact O-CG1 3.3Å; T573-I577 WeakPolarHBondContact O-CG1 3.31Å; T573-I577 PolarHBondContact O-N 3.3Å; A574-I577 PolarHBondContact O-N 2.69Å; M575-I577 VanDerWaalsContact C-N 3.32Å; M575-I577 PolarHBondContact O-N 3.43Å; I577-G579 PolarHBondContact O-N 3.14Å; I577-K580 PolarHBondContact O-N 3.46Å; I577-V581 PolarHBondContact O-N 2.82Å; I577-V581 VanDerWaalsContact O-N 3.12Å
578A83.8Confident79.2Confident25 Ų2558.1 Ų58.121%0.20732%0.318CS..Hα-helixtrans-63.3-24.2178.700000113.5V524 A574 M575 V581 I583V524-A578 HydrophobicContact CB-CB 4.48Å; V524-A578 HydrophobicContact CG1-CB 4.04Å; A574-A578 WeakPolarHBondContact O-CB 3.46Å; A574-A578 PolarHBondContact O-N 2.84Å; M575-A578 PolarHBondContact O-N 3.07Å; A578-V581 VanDerWaalsContact O-O 3.12Å; A578-I583 HydrophobicContact CB-CD1 4.36Å
579G78.1Confident78.6Confident69 Ų6958.9 Ų58.971%0.71132%0.324SS*.THydrogen-bonded Turntrans-80-17171.600000115M575 I577M575-G579 PolarHBondContact O-N 3.48Å; I577-G579 PolarHBondContact O-N 3.14Å
580K77.8Confident78.1Confident146 Ų14660.5 Ų60.564%0.63533%0.334SS*.THydrogen-bonded Turntrans-99.1-26.1-178.4-68.7163.7-162.6164.20112.9E576 I577E576-K580 WeakPolarHBondContact O-CD 2.93Å; E576-K580 WeakPolarHBondContact O-CE 3.01Å; E576-K580 WeakPolarHBondContact O-CG 3.28Å; E576-K580 IonicContact OE2-NZ 3.72Å; E576-K580 PolarHBondContact OE2-NZ 3.23Å; I577-K580 PolarHBondContact O-N 3.46Å
581V70.7Confident77.6Confident82 Ų8267.5 Ų67.550%0.49737%0.367SS..SBendtrans-103.8124.3175.3-175.30000108.6I577 A578 I583I577-V581 PolarHBondContact O-N 2.82Å; I577-V581 VanDerWaalsContact O-N 3.12Å; A578-V581 VanDerWaalsContact O-O 3.12Å; V581-I583 HydrophobicContact CB-CG1 4Å; V581-I583 HydrophobicContact CG1-CG1 3.89Å; V581-I583 WeakPolarHBondContact O-CG1 3.15Å; V581-I583 PolarHBondContact O-N 2.71Å
582D58.9Low77Confident118 Ų11873.3 Ų73.363%0.63139%0.394SS*.  trans-74.178.9167.5-178.134.1000109.7K522 R584K522-D582 IonicContact NZ-OD1 3.07Å; K522-D582 PolarHBondContact NZ-OD1 3.19Å; D582-R584 PolarHBondContact O-N 3.46Å
583I57.3Low76.6Confident62 Ų6272.7 Ų72.732%0.31839%0.388SS..  trans-65.9111.9176.2-40.9-178.5000107.2K522 A578 V581 A585K522-I583 PolarHBondContact NZ-O 3.02Å; A578-I583 HydrophobicContact CB-CD1 4.36Å; V581-I583 HydrophobicContact CB-CG1 4Å; V581-I583 HydrophobicContact CG1-CG1 3.89Å; V581-I583 WeakPolarHBondContact O-CG1 3.15Å; V581-I583 PolarHBondContact O-N 2.71Å; I583-A585 HydrophobicContact CB-CB 4.46Å; I583-A585 HydrophobicContact CG2-CB 3.53Å; I583-A585 PolarHBondContact O-N 3.47Å
584R52.6Low76.4Confident235 Ų23572.9 Ų72.989%0.88739%0.387SS*.  trans-76.430.7170.4-61.8-173.4-179.9-177.31.4112.2D582D582-R584 PolarHBondContact O-N 3.46Å
585A54.2Low76Confident39 Ų3977.1 Ų77.132%0.32241%0.409SS..  trans-73.1144.1-178.300000111.1I583I583-A585 HydrophobicContact CB-CB 4.46Å; I583-A585 HydrophobicContact CG2-CB 3.53Å; I583-A585 PolarHBondContact O-N 3.47Å
586L63.3Low75.5Confident116 Ų11680.7 Ų80.761%0.60743%0.426SS*.  trans-57.7141.2158-68.2169.1000108.8T590L586-T590 HydrophobicContact CD1-CG2 4.06Å
587G73.3Confident75.2Confident17 Ų1776.9 Ų76.918%0.17541%0.408CS..SBendtrans-67.9-50.2-17000000113.7R516 G521R516-G587 VanDerWaalsContact CD-O 3.24Å; R516-G587 WeakPolarHBondContact CD-O 3.39Å; R516-G587 WeakPolarHBondContact CG-O 3.38Å; R516-G587 VanDerWaalsContact CZ-C 3.42Å; R516-G587 PolarHBondContact NE-O 3.44Å; G521-G587 CarbonylContact O-C 3.55Å; G521-G587 WeakPolarHBondContact O-CA 3.15Å
588G78.3Confident75.1Confident11 Ų1174.9 Ų74.911%0.11340%0.398CS..SBendtrans-89.6-165.6174.100000111.9R516 R523R516-G588 VanDerWaalsContact CZ-N 3.28Å; R523-G588 PolarHBondContact NH2-O 2.77Å
589P83.6Confident74.7Confident22 Ų2280.5 Ų80.514%0.14343%0.425CS..  trans-51.6150166.123.8-35.2000111.6V506 Y514 E593 L594V506-P589 HydrophobicContact CG2-CG 4.25Å; Y514-P589 HydrophobicContact CE2-CB 3.85Å; Y514-P589 HydrophobicContact CE2-CG 4.18Å; P589-E593 WeakPolarHBondContact CA-OE2 3.39Å; P589-E593 HydrophobicContact CB-CB 4.02Å; P589-L594 HydrophobicContact CB-CB 4.35Å
590T84.5Confident74.3Confident37 Ų3783.4 Ų83.423%0.22742%0.419CS..  trans-72.5176.3163.276.70000111L586 E592 E593 L594L586-T590 HydrophobicContact CD1-CG2 4.06Å; T590-E592 VanDerWaalsContact C-N 3.31Å; T590-E592 WeakPolarHBondContact CB-OE2 3.2Å; T590-E592 PolarHBondContact OG1-N 3.09Å; T590-E592 PolarHBondContact OG1-OE2 3.17Å; T590-E593 PolarHBondContact N-OE2 3.18Å; T590-E593 PolarHBondContact OG1-N 2.6Å; T590-L594 VanDerWaalsContact O-CB 3.26Å; T590-L594 WeakPolarHBondContact O-CB 3.43Å; T590-L594 PolarHBondContact O-N 2.56Å
591E81.6Confident73.8Confident153 Ų15377.7 Ų77.772%0.71540%0.398SS*.Hα-helixtrans-64.9-40.3175.9-170.7170.5161.800110.7L594 L595E591-L594 PolarHBondContact O-N 2.98Å; E591-L595 VanDerWaalsContact O-CG 3.32Å; E591-L595 WeakPolarHBondContact O-CG 3.32Å; E591-L595 PolarHBondContact O-N 3.01Å
592E80.8Confident73.5Confident125 Ų12578.7 Ų78.758%0.58440%0.4SS*.Hα-helixtrans-65.4-49.4176.5-50.583.3173.400111.6T590 L594 L595 E596T590-E592 VanDerWaalsContact C-N 3.31Å; T590-E592 WeakPolarHBondContact CB-OE2 3.2Å; T590-E592 PolarHBondContact OG1-N 3.09Å; T590-E592 PolarHBondContact OG1-OE2 3.17Å; E592-L594 VanDerWaalsContact C-N 3.26Å; E592-L594 PolarHBondContact O-N 3.5Å; E592-L595 PolarHBondContact O-N 2.63Å; E592-E596 WeakPolarHBondContact O-CG 3.43Å; E592-E596 PolarHBondContact O-N 2.8Å
593E84.8Confident73.5Confident25 Ų2577.1 Ų77.112%0.11739%0.392CS..Hα-helixtrans-63.1-32.3176.5-72.5-179.2112.600112.9K512 Y514 R523 P589 T590 L597K512-E593 IonicContact NZ-OE1 2.75Å; K512-E593 PolarHBondContact NZ-OE1 3.01Å; Y514-E593 WeakPolarHBondContact CE1-OE1 3.29Å; Y514-E593 WeakPolarHBondContact OH-CB 3.36Å; Y514-E593 PolarHBondContact OH-OE1 2.99Å; R523-E593 IonicContact CZ-OE1 3.71Å; R523-E593 IonicContact CZ-OE2 2.74Å; R523-E593 IonicContact NH1-OE1 2.62Å; R523-E593 PolarHBondContact NH1-OE1 3.45Å; R523-E593 IonicContact NH1-OE2 2.89Å; R523-E593 PolarHBondContact NH1-OE2 3.46Å; R523-E593 IonicContact NH2-OE1 2.77Å; R523-E593 IonicContact NH2-OE2 2.76Å; R523-E593 PolarHBondContact NH2-OE2 3.17Å; P589-E593 WeakPolarHBondContact CA-OE2 3.39Å; P589-E593 HydrophobicContact CB-CB 4.02Å; T590-E593 PolarHBondContact N-OE2 3.18Å; T590-E593 PolarHBondContact OG1-N 2.6Å; E593-L597 WeakPolarHBondContact O-CB 3.44Å; E593-L597 WeakPolarHBondContact O-CD1 3.14Å; E593-L597 VanDerWaalsContact O-CG 3.24Å; E593-L597 WeakPolarHBondContact O-CG 3.34Å; E593-L597 PolarHBondContact O-N 2.94Å; E593-L597 VanDerWaalsContact O-N 3.11Å
594L85.4Confident73.1Confident51 Ų5178.5 Ų78.527%0.26741%0.412SS..Hα-helixtrans-69.3-43.1176.3179.259.6000110.5V506 P589 T590 E591 E592 L597 L598V506-L594 HydrophobicContact CG1-CD1 3.75Å; P589-L594 HydrophobicContact CB-CB 4.35Å; T590-L594 VanDerWaalsContact O-CB 3.26Å; T590-L594 WeakPolarHBondContact O-CB 3.43Å; T590-L594 PolarHBondContact O-N 2.56Å; E591-L594 PolarHBondContact O-N 2.98Å; E592-L594 VanDerWaalsContact C-N 3.26Å; E592-L594 PolarHBondContact O-N 3.5Å; L594-L597 PolarHBondContact O-N 3.31Å; L594-L598 HydrophobicContact CD1-CD1 4.2Å; L594-L598 HydrophobicContact CD1-CG 4.34Å; L594-L598 HydrophobicContact CG-CD1 3.96Å; L594-L598 WeakPolarHBondContact O-CB 3.46Å; L594-L598 WeakPolarHBondContact O-CG 3.49Å; L594-L598 PolarHBondContact O-N 2.92Å
595L82.3Confident72.8Confident92 Ų9273.9 Ų73.948%0.48240%0.404SS..Hα-helixtrans-63-45.4174.2-70167.8000111.4E591 E592 L597 L598 D599E591-L595 VanDerWaalsContact O-CG 3.32Å; E591-L595 WeakPolarHBondContact O-CG 3.32Å; E591-L595 PolarHBondContact O-N 3.01Å; E592-L595 PolarHBondContact O-N 2.63Å; L595-L597 VanDerWaalsContact C-N 3.26Å; L595-L597 PolarHBondContact O-N 3.25Å; L595-L598 PolarHBondContact O-N 2.76Å; L595-D599 PolarHBondContact O-N 3.13Å
596E80.9Confident72.2Confident98 Ų9874.5 Ų74.546%0.45840%0.404SS..Hα-helixtrans-56.7-38.3175-74.8177.4177.800112.6E592 Q600E592-E596 WeakPolarHBondContact O-CG 3.43Å; E592-E596 PolarHBondContact O-N 2.8Å; E596-Q600 WeakPolarHBondContact O-CG 3.44Å; E596-Q600 PolarHBondContact O-NE2 2.85Å
597L82.4Confident70.9Confident7 Ų779.6 Ų79.64%0.03742%0.415CS..Hα-helixtrans-74.3-32.5176.6-73.4166.7000112.8V506 V507 T510 Y514 E593 L594 L595V506-L597 HydrophobicContact CB-CD1 4.12Å; V506-L597 HydrophobicContact CG1-CD1 4.5Å; V506-L597 HydrophobicContact CG2-CD1 4.11Å; V507-L597 HydrophobicContact CG2-CB 4.24Å; T510-L597 WeakPolarHBondContact OG1-CD2 3.48Å; Y514-L597 HydrophobicContact CE2-CD1 3.97Å; E593-L597 WeakPolarHBondContact O-CB 3.44Å; E593-L597 WeakPolarHBondContact O-CD1 3.14Å; E593-L597 VanDerWaalsContact O-CG 3.24Å; E593-L597 WeakPolarHBondContact O-CG 3.34Å; E593-L597 PolarHBondContact O-N 2.94Å; E593-L597 VanDerWaalsContact O-N 3.11Å; L594-L597 PolarHBondContact O-N 3.31Å; L595-L597 VanDerWaalsContact C-N 3.26Å; L595-L597 PolarHBondContact O-N 3.25Å
598L82.7Confident68.7Low42 Ų4284.4 Ų84.422%0.2244%0.442CS..Hα-helixtrans-73.9-38.7176.6-72.1167.5000112.1L475 L594 L595 Q600 C601 L603L475-L598 HydrophobicContact CD1-CD2 3.7Å; L594-L598 HydrophobicContact CD1-CD1 4.2Å; L594-L598 HydrophobicContact CD1-CG 4.34Å; L594-L598 HydrophobicContact CG-CD1 3.96Å; L594-L598 WeakPolarHBondContact O-CB 3.46Å; L594-L598 WeakPolarHBondContact O-CG 3.49Å; L594-L598 PolarHBondContact O-N 2.92Å; L595-L598 PolarHBondContact O-N 2.76Å; L598-Q600 PolarHBondContact O-N 2.84Å; L598-C601 WeakPolarHBondContact O-CB 3.44Å; L598-C601 PolarHBondContact O-N 2.92Å; L598-L603 HydrophobicContact CB-CD1 4.41Å; L598-L603 HydrophobicContact CD2-CD1 4.16Å; L598-L603 HydrophobicContact CD2-CD2 4Å
599D75.1Confident66.7Low144 Ų14489.2 Ų89.277%0.7747%0.471SS*.Hα-helixtrans-63.6-21.6175.8-75.7-15.1000112.7L595 C601L595-D599 PolarHBondContact O-N 3.13Å; D599-C601 VanDerWaalsContact C-N 3.34Å
600Q69.3Low63.9Low129 Ų12994.7 Ų94.760%0.60350%0.499SS*.THydrogen-bonded Turntrans-84.9-4.4173.3-72169.775.600113.3E596 L598E596-Q600 WeakPolarHBondContact O-CG 3.44Å; E596-Q600 PolarHBondContact O-NE2 2.85Å; L598-Q600 PolarHBondContact O-N 2.84Å
601C68.9Low61.2Low27 Ų2798.7 Ų98.718%0.18253%0.528CS..SBendtrans-111.5130.3-176.3-168.60000111.1V507 L598 D599 L603V507-C601 HydrophobicContact CG1-CB 3.83Å; L598-C601 WeakPolarHBondContact O-CB 3.44Å; L598-C601 PolarHBondContact O-N 2.92Å; D599-C601 VanDerWaalsContact C-N 3.34Å; C601-L603 VanDerWaalsContact C-N 3.26Å; C601-L603 HydrophobicContact CB-CD2 4.41Å; C601-L603 HydrophobicContact CB-CG 4.44Å; C601-L603 PolarHBondContact O-N 2.83Å
602D63.3Low58.7Low102 Ų10295.9 Ų95.955%0.54552%0.522SS..  trans-76.782.4168.9-169.8-5.8000110.3A604 L605D602-A604 PolarHBondContact O-N 3.46Å; D602-A604 WeakPolarHBondContact OD1-CB 3.48Å; D602-A604 PolarHBondContact OD1-N 3.24Å; D602-A604 VanDerWaalsContact OD1-N 3.13Å; D602-L605 HydrophobicContact CB-CD1 4.23Å; D602-L605 HydrophobicContact CB-CG 4.44Å; D602-L605 PolarHBondContact O-N 3.17Å
603L59.8Low56.2Low86 Ų8696.3 Ų96.345%0.4554%0.535SS..THydrogen-bonded Turntrans-59.9-11178.9-66.7170.2000113.7L598 C601 L605 T606L598-L603 HydrophobicContact CB-CD1 4.41Å; L598-L603 HydrophobicContact CD2-CD1 4.16Å; L598-L603 HydrophobicContact CD2-CD2 4Å; C601-L603 VanDerWaalsContact C-N 3.26Å; C601-L603 HydrophobicContact CB-CD2 4.41Å; C601-L603 HydrophobicContact CB-CG 4.44Å; C601-L603 PolarHBondContact O-N 2.83Å; L603-L605 VanDerWaalsContact C-N 3.33Å; L603-T606 WeakPolarHBondContact CA-OG1 3.11Å; L603-T606 PolarHBondContact O-OG1 3.15Å
604A47.8Very low53.5Low91 Ų91106.4 Ų106.475%0.75257%0.572SS**THydrogen-bonded Turntrans-79.3-15.3173.200000113.2D602D602-A604 PolarHBondContact O-N 3.46Å; D602-A604 WeakPolarHBondContact OD1-CB 3.48Å; D602-A604 PolarHBondContact OD1-N 3.24Å; D602-A604 VanDerWaalsContact OD1-N 3.13Å
605L46.1Very low50.6Low138 Ų138107.8 Ų107.872%0.72359%0.591SS**THydrogen-bonded Turntrans-92.6-32.1176.4-66.8176.9000113D602 L603 R607D602-L605 HydrophobicContact CB-CD1 4.23Å; D602-L605 HydrophobicContact CB-CG 4.44Å; D602-L605 PolarHBondContact O-N 3.17Å; L603-L605 VanDerWaalsContact C-N 3.33Å; L605-R607 PolarHBondContact O-N 3.27Å; L605-R607 VanDerWaalsContact O-N 3.09Å
606T42.2Very low48.2Very low52 Ų52109.1 Ų109.132%0.31961%0.609SS.*SBendtrans-65.4106.3165.846.20000109.2L603 T608L603-T606 WeakPolarHBondContact CA-OG1 3.11Å; L603-T606 PolarHBondContact O-OG1 3.15Å; T606-T608 PolarHBondContact O-N 2.91Å
607R36Very low45.5Very low222 Ų222110.2 Ų110.284%0.83862%0.622SS**  trans-59.4132.1-177.8-72.2179.8177.1160.80.6110.5L605L605-R607 PolarHBondContact O-N 3.27Å; L605-R607 VanDerWaalsContact O-N 3.09Å
608T28.1Very low42.8Very low119 Ų119115.7 Ų115.773%0.7366%0.66SS**  trans-56.3126.6168.450.20000109.7T606 D610T606-T608 PolarHBondContact O-N 2.91Å; T608-D610 PolarHBondContact O-N 3.24Å
609P34.8Very low40.1Very low112 Ų112119.5 Ų119.573%0.72769%0.689SS**  trans-64.4111.1173.325.6-32.5000108.8S611P609-S611 PolarHBondContact O-N 3.23Å; P609-S611 PolarHBondContact O-OG 3Å; P609-S611 VanDerWaalsContact O-OG 3.1Å
610D25.7Very low37.6Very low137 Ų137120 Ų12073%0.73369%0.691SS**  trans-60100.9-171.5-124.2-17.8000109.7T608 T612T608-D610 PolarHBondContact O-N 3.24Å; D610-T612 PolarHBondContact O-N 3.48Å
611S28.4Very low35.5Very low121 Ų121122 Ų12285%0.84670%0.7SS**  trans-78.360.2-170.4-66.80000111.7P609P609-S611 PolarHBondContact O-N 3.23Å; P609-S611 PolarHBondContact O-OG 3Å; P609-S611 VanDerWaalsContact O-OG 3.1Å
612T28Very low33.5Very low94 Ų94125.2 Ų125.258%0.57772%0.723SS**  trans-119.5132.6174.263.80000109.5D610 R614D610-T612 PolarHBondContact O-N 3.48Å; T612-R614 VanDerWaalsContact C-N 3.3Å; T612-R614 PolarHBondContact O-N 2.8Å
613P29Very low31.8Very low134 Ų134129.3 Ų129.387%0.8774%0.739SS**  trans-78.178.5-175.131.7-35.5000110.8A615P613-A615 PolarHBondContact O-N 3.36Å
614R26.7Very low30.1Very low236 Ų236133.4 Ų133.489%0.89176%0.76SS**  trans-73.6107.5171.6-128.6177-175.91622.5108.9T612 S616T612-R614 VanDerWaalsContact C-N 3.3Å; T612-R614 PolarHBondContact O-N 2.8Å; R614-S616 PolarHBondContact O-N 2.82Å
615A26.1Very low29.1Very low81 Ų81134.5 Ų134.567%0.66976%0.763SS**  trans-60.1132.9-172.300000112.5P613 T617P613-A615 PolarHBondContact O-N 3.36Å; A615-T617 PolarHBondContact O-N 3.15Å
616S30.5Very low28Very low120 Ų120135.4 Ų135.484%0.83977%0.768SS**  trans-64.599.1171.8-49.50000110.6R614R614-S616 PolarHBondContact O-N 2.82Å
617T25.1Very low27.2Very low120 Ų120137.3 Ų137.374%0.73678%0.784SS**  trans-100.494.8173.4510000110.7A615 S619A615-T617 PolarHBondContact O-N 3.15Å; T617-S619 PolarHBondContact O-N 3.13Å
618C25.8Very low26.6Very low123 Ų123136 Ų13683%0.83179%0.785SS**  trans-62.9102.9166.6-56.80000109.5L620C618-L620 VanDerWaalsContact C-N 3.32Å; C618-L620 PolarHBondContact O-N 2.75Å
619S25Very low26.5Very low121 Ų121141.8 Ų141.885%0.84679%0.793SS**  trans-8469.1-176.344.10000112.8T617T617-S619 PolarHBondContact O-N 3.13Å
620L24Very low26Very low155 Ų155141 Ų14181%0.81280%0.796SS**  trans-76.9150.5157.3-99.4169.9000110.6C618C618-L620 VanDerWaalsContact C-N 3.32Å; C618-L620 PolarHBondContact O-N 2.75Å
621H25Very low25.9Very low171 Ų171140.5 Ų140.579%0.79279%0.793SS**SBendtrans76.9112.5168.3-9567.1000120.7
622S26.8Very low25.8Very low95 Ų95143.6 Ų143.666%0.66479%0.786SS**  64.4114.4123.4-158.50000120L624S622-L624 PolarHBondContact O-N 2.89Å
623Q26.8Very low25.7Very low188 Ų188146.8 Ų146.888%0.87979%0.792SS**  trans-80.8107.6158.2-70.3-173.9-6.700110.8
624L23.8Very low25.6Very low171 Ų171151.9 Ų151.990%0.89579%0.794SS**  trans-133.6119.6143-79.8179.3000107.7S622S622-L624 PolarHBondContact O-N 2.89Å
625S26.7Very low25.6Very low115 Ų115144.3 Ų144.380%0.80479%0.79SS**  trans-129.2112.2-174.459.20000110.9
626D23.6Very low25.7Very low156 Ų156146 Ų14683%0.83480%0.797SS**  trans-125.3150.5172.7-101-42.1000108.1
627S26Very low26.4Very low92 Ų92146.6 Ų146.664%0.64380%0.798SS**  cis-168.7161.7-15.8-130.30000107.7
628F23.4Very low26.5Very low196 Ų196144.3 Ų144.386%0.8680%0.798SS**  trans-147.9112.6164.4-96.4-59.3000114.1
629R25.6Very low26.7Very low240 Ų240144.5 Ų144.591%0.90680%0.795SS**  trans70.6133.1164-62.6-179.9177.5179.3-0.5115.1
630A24.1Very low26.9Very low95 Ų95147 Ų14779%0.78580%0.798SS**  cis-153.8168.56.300000114.5
631D24.1Very low27Very low126 Ų126143.1 Ų143.167%0.67480%0.796SS**  trans101131.3147.7-139.815.5000120.2
632R25.6Very low27.3Very low187 Ų187139.8 Ų139.871%0.70679%0.791SS**  trans71.4118.6155.7-81.4162.4-144.3-123.2-2125.1
633F26.5Very low27.5Very low161 Ų161140.7 Ų140.771%0.70680%0.798SS**  trans84.7104.9138.6-67.7-54.6000123.1
634R27.2Very low27.6Very low240 Ų240135.9 Ų135.991%0.90679%0.79SS**  trans50.4112.7131-69.3178.6176.8-160.60.1119.8
635G25.2Very low27.9Very low77 Ų77132.5 Ų132.579%0.79478%0.781SS**  trans-175.9114.1157.800000113.1
636S28.6Very low28.1Very low117 Ų117134.8 Ų134.882%0.81878%0.783SS**  trans-148164.6178.7-62.80000108.9
637P45.2Very low28.4Very low133 Ų133132.7 Ų132.786%0.86478%0.781SS**  cis-136.5177.9-33.437.1-21.2000113.3
638G27.2Very low28.4Very low71 Ų71131.2 Ų131.273%0.73278%0.78SS**  trans141.2157.9153.900000116.7
639V29.8Very low28.9Very low128 Ų128127.3 Ų127.378%0.77678%0.777SS**  cis-162.6139.7-13.498.70000112.1
640L29.4Very low29.2Very low172 Ų172123.4 Ų123.490%0.90177%0.773SS**  trans50.2150.2155.7-68.4162000123.9
641G26.8Very low30.6Very low75 Ų75124 Ų12477%0.77377%0.769SS**  trans118.586.6158.800000116
642S30.4Very low30.9Very low100 Ų100127.5 Ų127.570%0.69977%0.773SS**  cis124.2123.716.1-1770000110.5
643S31.3Very low31.1Very low115 Ų115124.9 Ų124.980%0.80477%0.768SS**  trans62151.615151.70000119.9
644A29.2Very low31.4Very low86 Ų86123.1 Ų123.171%0.71177%0.771SS**  cis-158.6145.2-0.200000107.3
645S30.3Very low32.2Very low100 Ų100117.6 Ų117.670%0.69977%0.766SS**  cis105.7147.930.9770000114.5
646L31.7Very low32.8Very low164 Ų164118.4 Ų118.486%0.85977%0.766SS**  trans81.7150.6179.8-49.6177.9000114.6
647S29.6Very low33.4Very low112 Ų112119 Ų11978%0.78377%0.767SS**  cis-169.2165.7-19-980000109.4
648G25.5Very low32.7Very low60 Ų60116 Ų11662%0.61976%0.76SS**  cis167.6161.4-8.700000114
649S34Very low34Very low115 Ų115118.8 Ų118.880%0.80477%0.765SS**  trans52.6148.6150.758.30000123.1
650L31.2Very low33.9Very low158 Ų158121 Ų12183%0.82777%0.772SS**  cis-178177-12.1-103.3173.2000106.9
651P53.5Low34Very low107 Ų107117.7 Ų117.770%0.69576%0.763SS**  cis-121.8-136.9-10.629.2-2.8000110.6
652R31.1Very low34.4Very low200 Ų200125.5 Ų125.576%0.75577%0.769SS**  cis-160.5151.6-1.5-146.2-173.6-161.1-144.116.2112.3
653Q29.3Very low34.6Very low131 Ų131126.5 Ų126.561%0.61277%0.773SS**  trans44.393.1148.6-79.4167.5-1700123.5
654T33.9Very low35.3Very low125 Ų125126.6 Ų126.677%0.76777%0.771SS**  37154.1107.3600000123
655P43.5Very low35.5Very low124 Ų124132.8 Ų132.881%0.80578%0.776SS**  cis-138.7-168.3-30.240.2-20.9000113.8
656A36.8Very low35.5Very low94 Ų94134.2 Ų134.278%0.77778%0.776SS**  trans-93174-177.500000115.4
657P41.3Very low36.6Very low129 Ų129132.3 Ų132.384%0.83877%0.773SS**  trans-133.9163.813639.2-29.5000114.8
658G30.6Very low36.4Very low71 Ų71132 Ų13273%0.73278%0.777SS**  trans-98.6-174.1174.100000114.7
659P54.1Low36.8Very low129 Ų129133.7 Ų133.784%0.83879%0.785SS**  trans-98167.1-161.938.3-37.5000115.7
660L28.9Very low37.7Very low175 Ų175133.9 Ų133.992%0.91678%0.784SS**  trans-155.2175.7162.6-112.8170.7000112.7
661S30.5Very low37.5Very low102 Ų102132.1 Ų132.171%0.71379%0.785SS**  trans-110.8171.9-154.7550000117.6
662R36Very low36.5Very low239 Ų239132.1 Ų132.190%0.90279%0.794SS**  trans-57.5149.7178.9-73.9179.3169.9174.2-3.9116.2
663P34.8Very low36.2Very low120 Ų120128.2 Ų128.278%0.77980%0.797SS**  trans-117.6178.1148.238-27000113.7
664P46Very low36.3Very low117 Ų117131.4 Ų131.476%0.7681%0.81SS**  trans-132.5164.7-166.342.2-26.9000119.5
665R32.1Very low36.3Very low217 Ų217133.9 Ų133.982%0.81981%0.812SS**  trans69.2122.8149.2-79.8-165.4160.6142.71.3124.7
666D30.3Very low35.7Very low129 Ų129131 Ų13169%0.6981%0.806SS**  58.1170.2124.1-44.8-17.6000121
667P55.8Low35.3Very low125 Ų125133.8 Ų133.881%0.81281%0.807SS**  cis-132.5170.9-9.341.1-25.7000116.3
668A26.2Very low34.8Very low105 Ų105138.3 Ų138.387%0.86881%0.808SS**  trans-163.9146.2146.400000113
669A33.1Very low34.6Very low95 Ų95138 Ų13879%0.78581%0.805SS**  trans-146.8-161.5175.100000107.7
670P53.1Low34.6Very low119 Ų119137.8 Ų137.877%0.77380%0.804SS**  cis-143.7177.712.744.9-25.9000117.8
671S26.7Very low34.7Very low122 Ų122133.5 Ų133.585%0.85379%0.794SS**  trans-179.9154.5130.637.60000110.9
672A32.6Very low34.7Very low106 Ų106136.7 Ų136.788%0.87680%0.797SS**  trans-160.7162.5-173.600000113.9
673S25.5Very low34.3Very low119 Ų119131.4 Ų131.483%0.83279%0.786SS**  trans-151155.5168510000112.3
674F31.2Very low33.9Very low198 Ų198134.1 Ų134.187%0.86879%0.788SS**  trans-93.3-178.6-176.7-94.4-105.5000111.4
675Q34.2Very low33.3Very low176 Ų176134 Ų13482%0.82279%0.791SS**  cis-169.6149.330.9-154164.11200114.8
676G29.7Very low33.7Very low65 Ų65130 Ų13067%0.6779%0.793SS**  trans90.4160.115200000120.3
677L29.2Very low33.6Very low151 Ų151128.1 Ų128.179%0.79180%0.795SS**  cis-163.6132.4-6.2-126.694.1000111.7
678Y29.9Very low32.4Very low224 Ų224131.2 Ų131.288%0.87880%0.798SS**  trans54.4152.4159-66.7-95.9000125.7
679G27.7Very low32.6Very low65 Ų65134 Ų13467%0.6779%0.793SS**  trans-117.9-146.4164.100000111.5
680P52.3Low32.3Very low125 Ų125138.7 Ų138.781%0.81280%0.799SS**  cis-146-1661244.8-24.4000117.3
681A31.6Very low31.1Very low85 Ų85138.2 Ų138.270%0.70280%0.798SS**  trans71.5156.4149.100000120.4
682H30Very low31.8Very low169 Ų169138.3 Ų138.378%0.78280%0.796SS**  cis-163.7162.2-23.1-123.5-70.3000111.9
683L28.4Very low31.6Very low127 Ų127138.3 Ų138.367%0.66579%0.789SS**  trans65.5116.8148-78.4159.1000124.1
684Q27.2Very low32.5Very low177 Ų177137.8 Ų137.883%0.82778%0.783SS**  43.9140.1125.4-72.3177.9-14.500124.3
685S32.6Very low32.3Very low116 Ų116137.8 Ų137.881%0.81179%0.786SS**  trans-74162.8173.4-31.60000114.9
686P39.7Very low32Very low133 Ų133133.9 Ų133.986%0.86478%0.784SS**  -137.2177.1129.838.9-27.8000113.4
687A29.6Very low32.3Very low89 Ų89136.9 Ų136.974%0.73679%0.791SS**  trans-129155.1174.100000110.8
688H30.5Very low32.1Very low189 Ų189139.3 Ų139.388%0.87579%0.79SS**  trans-169.2167.7146.8-112.3-76.2000112.9
689H29.7Very low31.8Very low165 Ų165137.4 Ų137.476%0.76478%0.783SS**  trans-87.1155.5-174.3-59.1-114000114.1
690Q26.1Very low31.8Very low193 Ų193142.6 Ų142.690%0.90279%0.789SS**  177.8171.2106-92.2-179.624.400113.5
691S28.8Very low31.4Very low108 Ų108141.8 Ų141.876%0.75578%0.783SS**  trans-89.7179.9-177.250.40000112.2
692P40.4Very low31.2Very low124 Ų124144.5 Ų144.581%0.80578%0.782SS**  cis-141.3-155.519.944.1-21.5000117
693S30Very low31.1Very low106 Ų106145.3 Ų145.374%0.74178%0.778SS**  trans-95.1-172.4-176.559.60000112.7
694P44.7Very low30.9Very low108 Ų108146.2 Ų146.270%0.70178%0.779SS**  cis-150.2-170.61547.1-25.9000120.1
695Q26Very low31Very low198 Ų198142 Ų14293%0.92578%0.775SS**  trans84.3165.5156.3-75.6-177.4-4.100122.1
696A27.1Very low30.8Very low94 Ų94141.8 Ų141.878%0.77777%0.768SS**  trans-145.5169-155.200000114.4
697P35.8Very low30.4Very low128 Ų128146.3 Ų146.383%0.83177%0.768SS**  -152.5-163.8106.739.4-21.1000114.5
698R26.6Very low30.6Very low203 Ų203151.4 Ų151.477%0.76677%0.768SS**  -169.8160.4-66-150.7-176.2-160.3-15910.4110.2
699Y22.1Very low31Very low184 Ų184144.8 Ų144.872%0.72275%0.751SS**  trans79.2135.4175.8-61.4-87.2000118.1
700H28.4Very low31.7Very low174 Ų174140 Ų14081%0.80674%0.736SS**  cis98.5150.125.3-91-40.7000116
701P44.2Very low32.4Very low107 Ų107138.4 Ų138.470%0.69573%0.726SS**  cis-135.4179.631.442.9-25.1000118.8
702E27.3Very low33.3Very low143 Ų143137.9 Ų137.967%0.66872%0.718SS**  trans30.4142.5150.2-71-176.8-161.400121.5
703R27.5Very low33.3Very low185 Ų185137.5 Ų137.570%0.69871%0.706SS**  cis-169.817625.3-121.6174.2-142.2-95.7-8.9108.6
704E25.7Very low34Very low146 Ų146137.4 Ų137.468%0.68269%0.689SS**  cis-161.4-151.6-11-150.1-177.5-87.200109.4
705A27.4Very low33.8Very low90 Ų90136.1 Ų136.174%0.74468%0.682SS**  trans70.5163.3171.900000118.8
706V28.9Very low34.5Very low111 Ų111133.7 Ų133.767%0.67367%0.671SS**  -168.9119.9-82.7149.60000110.6
707R32.5Very low35.1Very low228 Ų228136.8 Ų136.886%0.8667%0.669SS**  trans65.1164.9165.7-68.4169.5174.3163.5-1.9116.1
708R32.4Very low35.3Very low196 Ų196138.2 Ų138.274%0.7467%0.669SS**  cis-151.4147.911.5-148.1169.7-166.6168.52.5112.1
709G39Very low35.8Very low50 Ų50132.5 Ų132.552%0.51567%0.665SS.*  trans-88.7-167.2-179.800000116.6R714G709-R714 PolarHBondContact O-NH2 3.2Å
710S45.4Very low36.4Very low65 Ų65132.9 Ų132.946%0.45567%0.67SS.*  trans-65.5170.9-165.8-1720000114.4E713 R714S710-E713 VanDerWaalsContact CB-OE2 3.3Å; S710-E713 WeakPolarHBondContact CB-OE2 3.32Å; S710-E713 PolarHBondContact N-OE2 2.91Å; S710-R714 PolarHBondContact O-NE 3.21Å; S710-R714 PolarHBondContact O-NH2 2.84Å
711F40.2Very low36.4Very low158 Ų158127.9 Ų127.969%0.69367%0.666SS**Hα-helixtrans-76.2-39.3172.8-175.4-111.7000111.7R714F711-R714 WeakPolarHBondContact O-CB 3.45Å; F711-R714 PolarHBondContact O-N 2.6Å
712V47Very low35.9Very low97 Ų97129.4 Ų129.459%0.58868%0.676SS**Hα-helixtrans-66.6-43.6-174.5-179.40000112.4R714 C715V712-R714 PolarHBondContact O-N 2.89Å; V712-C715 PolarHBondContact O-N 2.91Å
713E41.6Very low36.1Very low117 Ų117131.9 Ų131.955%0.54769%0.688SS.*Hα-helixtrans-54.3-39.7175.2-62.8171.9110.600111.4S710 C715 Q716 E717S710-E713 VanDerWaalsContact CB-OE2 3.3Å; S710-E713 WeakPolarHBondContact CB-OE2 3.32Å; S710-E713 PolarHBondContact N-OE2 2.91Å; E713-C715 VanDerWaalsContact C-N 3.25Å; E713-C715 PolarHBondContact O-N 2.9Å; E713-Q716 PolarHBondContact O-N 2.96Å; E713-Q716 VanDerWaalsContact O-N 3.11Å; E713-E717 PolarHBondContact O-N 2.96Å
714R43.9Very low36.1Very low104 Ų104127.8 Ų127.839%0.39269%0.694SS.*Hα-helixtrans-70.1-19-174.9-134.3175.9-61.1165.74114G709 S710 F711 V712G709-R714 PolarHBondContact O-NH2 3.2Å; S710-R714 PolarHBondContact O-NE 3.21Å; S710-R714 PolarHBondContact O-NH2 2.84Å; F711-R714 WeakPolarHBondContact O-CB 3.45Å; F711-R714 PolarHBondContact O-N 2.6Å; V712-R714 PolarHBondContact O-N 2.89Å
715C41Very low36.2Very low81 Ų81125.9 Ų125.955%0.54770%0.702SS.*Hα-helixtrans-88.5-16.5174.2-69.80000113.1V712 E713V712-C715 PolarHBondContact O-N 2.91Å; E713-C715 VanDerWaalsContact C-N 3.25Å; E713-C715 PolarHBondContact O-N 2.9Å
716Q41.4Very low36.1Very low147 Ų147125.9 Ų125.969%0.68770%0.702SS**Hα-helixtrans-93.6-28.6179-69.5-175-18.600113.2E713E713-Q716 PolarHBondContact O-N 2.96Å; E713-Q716 VanDerWaalsContact O-N 3.11Å
717E38.5Very low36Very low158 Ų158125.5 Ų125.574%0.73871%0.705SS**G310 helixtrans-68.5-30.6173.6-71.4-164.2124.800113.5E713 A719 K720E713-E717 PolarHBondContact O-N 2.96Å; E717-A719 PolarHBondContact O-N 3.13Å; E717-K720 PolarHBondContact O-N 3.41Å
718L39.4Very low35.7Very low158 Ų158119.9 Ų119.983%0.82770%0.701SS**G310 helixtrans-70.7-0.3-179.9-74.6171000114.4
719A37.7Very low35.5Very low84 Ų84114.8 Ų114.869%0.69470%0.7SS**G310 helixtrans-93.55.4176.800000114.4E717E717-A719 PolarHBondContact O-N 3.13Å
720K35.8Very low34.9Very low191 Ų191122.9 Ų122.983%0.8372%0.722SS**  trans-13397.7-177.6-68.6-171.8177.1-177.90113.9E717E717-K720 PolarHBondContact O-N 3.41Å
721G27.8Very low33.9Very low70 Ų70123.4 Ų123.472%0.72274%0.737SS**PPolyproline II helixtrans-92.6158.8156.800000111.3
722P34.3Very low33.2Very low138 Ų138122.7 Ų122.790%0.89675%0.746SS**PPolyproline II helixtrans-85.6159.6-159.733.2-37.2000116.2
723E31.8Very low33.1Very low196 Ų196123.3 Ų123.392%0.91675%0.752SS**PPolyproline II helixtrans-79.6149.5176.8-56.3177.3117.100113.5
724A26.8Very low33Very low99 Ų99123.1 Ų123.182%0.81876%0.761SS**  trans-159.184.6159.600000114.4
725A27.1Very low32.1Very low105 Ų105129.4 Ų129.487%0.86879%0.785SS**  trans62.6164.3146.400000123.2
726A26.1Very low31.4Very low90 Ų90130.3 Ų130.374%0.74479%0.792SS**  trans8080.5157.100000121.6
727S25.6Very low30.6Very low104 Ų104133 Ų13373%0.72781%0.805SS**  48.7125.2123.560.70000123.9
728S27.4Very low30Very low110 Ų110129.1 Ų129.177%0.76981%0.807SS**  trans81.3123.5131.766.70000123.7
729A27Very low29.3Very low88 Ų88129.6 Ų129.673%0.72781%0.807SS**  trans87.1124.9132.300000122.9
730F26.1Very low28.8Very low221 Ų221136.6 Ų136.697%0.96982%0.815SS**  trans62.2145.3145.4-91.5-96.8000122.1
731G24.9Very low28.4Very low75 Ų75138 Ų13877%0.77382%0.815SS**  trans135.9117.9156.100000116.4
732T25.8Very low28.2Very low143 Ų143139.5 Ų139.588%0.87782%0.815SS**  trans-103166.6166.3180000111
733P46.1Very low27.8Very low110 Ų110139.2 Ų139.271%0.71481%0.81SS**  trans-93177.4-151.240.5-41.3000114.7
734P39.3Very low27.4Very low114 Ų114133.7 Ų133.774%0.7480%0.798SS**  -150.1151.295.539.2-22.1000118.2
735W24.9Very low27.2Very low236 Ų236135.1 Ų135.189%0.89480%0.796SS**  trans33.3129.1137.4-67.968.5000123.7
736S25.5Very low27Very low100 Ų100136.5 Ų136.570%0.69980%0.798SS**  125.5121.8129.5-67.50000119.3
737E25Very low27Very low204 Ų204137 Ų13795%0.95380%0.796SS**  trans59.6158.9157.1-55.5-162.6137.900120.7
738G25.2Very low27.1Very low76 Ų76141.3 Ų141.378%0.78480%0.804SS**  trans160.3-33170.700000119.6
739M24.8Very low26.9Very low167 Ų167144.6 Ų144.682%0.82381%0.812SS**  trans36.1110.4166.9175.752.8124.700120
740R27.8Very low26.8Very low232 Ų232149.5 Ų149.588%0.87582%0.821SS**  trans-156.2107145.1-111.3170.6-154.4-129.54.3113.6
741R26.6Very low26.9Very low221 Ų221144 Ų14483%0.83482%0.815SS**  trans32.5138.6139.6-54.2177.3-177.5175-1.2118.6
742S25Very low27Very low101 Ų101150.8 Ų150.871%0.70682%0.818SS**  cis-16214914.8-139.40000107.2
743V23.9Very low27Very low132 Ų132152.4 Ų152.480%0.881%0.813SS**  cis61.5120.138.9-172.50000113.7
744A24.1Very low26.1Very low79 Ų79151.3 Ų151.365%0.65381%0.808SS**  cis-169.7175.8-21.300000108.3
745V24Very low25.5Very low129 Ų129152.7 Ų152.778%0.78281%0.808SS**  trans66.9133.7159.5179.10000118.2
746C22.5Very low25.5Very low135 Ų135151.6 Ų151.691%0.91280%0.804SS**  trans-152.7100.5137-119.30000109.4
747S26.2Very low25.7Very low101 Ų101152.6 Ų152.671%0.70681%0.806SS**  trans-106161.4160.6-67.40000108.5
748E27.4Very low26.2Very low193 Ų193147.9 Ų147.990%0.90279%0.793SS**  trans68.4129.4172.5-56.6-172.1133.200117.7
749L23.7Very low26.2Very low179 Ų179150.2 Ų150.294%0.93779%0.792SS**  trans-148.583.2149.6-169.988.2000109.7
750E24.5Very low26.4Very low192 Ų192146.9 Ų146.990%0.89779%0.786SS**  trans-148.2166.5156.8-137.8174-139.900110.8
751A28.5Very low26.4Very low104 Ų104145.4 Ų145.486%0.8679%0.786SS**  trans62.3126.8-170.800000116.3
752R27Very low26.5Very low218 Ų218140.6 Ų140.682%0.82378%0.781SS**  trans-130.9126-176.6-126.9-177.4-175.5-169.53.5110
753F25.4Very low26.6Very low178 Ų178142.3 Ų142.378%0.78179%0.787SS**  trans66.5141.9170.8-51.8-62.1000115.9
754S26.2Very low26.7Very low87 Ų87141.2 Ų141.261%0.60879%0.785SS**  cis-162.5152.1-4.6-111.70000112.1
755L27.6Very low28.1Very low142 Ų142143.7 Ų143.774%0.74379%0.794SS**  trans29.7130.2135.9-58.5166.5000118.4
756R25.7Very low28.2Very low214 Ų214141.3 Ų141.381%0.80880%0.796SS**  cis-163.9142.123.5-113164.6-174.4176.51.3112.5
757T29.1Very low28.4Very low121 Ų121139.1 Ų139.174%0.74279%0.788SS**  trans2.5158.6138.156.90000121.7
758P34.2Very low28.4Very low104 Ų104144.3 Ų144.368%0.67579%0.792SS**  cis-147.3175.9-31.640.4-21.1000116.8
759T26.9Very low28.4Very low126 Ų126144.1 Ų144.177%0.77378%0.784SS**  trans57.2112148.947.90000123.4
760S28.4Very low28.8Very low97 Ų97141.2 Ų141.268%0.67877%0.774SS**  55.4122.8120.9-174.50000121.9
761F26.8Very low29.6Very low200 Ų200138.4 Ų138.488%0.87777%0.773SS**  -161.9165.3113.2-104.4-67.2000112.6
762T29.1Very low29.6Very low120 Ų120137.1 Ų137.174%0.73677%0.769SS**  trans-84.5153.8-176.448.50000114.3
763V27.3Very low29.9Very low138 Ų138133.3 Ų133.384%0.83677%0.771SS**  trans171.1159.8133.5147.90000111.5
764S26.6Very low30.7Very low108 Ų108131.1 Ų131.176%0.75577%0.774SS**  trans-148.1171.7171.7-50.70000109.1
765P53Low30.8Very low131 Ų131132.8 Ų132.885%0.85179%0.786SS**  cis-123.2177.7-24.438-22.9000112.5
766G25.6Very low30.9Very low79 Ų79132 Ų13281%0.81479%0.792SS**  trans-165.697.6-18000000119.9
767A26.9Very low31.1Very low90 Ų90130.1 Ų130.174%0.74479%0.794SS**  trans14.1119.8151.300000125.3
768R27.3Very low31.1Very low209 Ų209129.8 Ų129.879%0.78980%0.797SS**  68.8146.5123.3-56.9-175.6-172.4179.74.2124.3
769Y27Very low30.9Very low189 Ų189129.6 Ų129.674%0.74180%0.804SS**  trans87.4109.5153.3-67.8-62000122.3
770T30.6Very low31.2Very low119 Ų119128.9 Ų128.973%0.7381%0.805SS**  trans-7.7156.6132.452.80000119
771P43.1Very low32Very low133 Ų133130.6 Ų130.686%0.86481%0.814SS**  cis-147.8-176.337.743.1-23.7000118
772G26.8Very low32.2Very low76 Ų76129.3 Ų129.378%0.78482%0.815SS**  trans137.6102.6154.600000116.6
773T34.1Very low32.1Very low139 Ų139128.8 Ų128.885%0.85382%0.816SS**  trans-92158.3157.942.60000110.4
774P41.6Very low32.3Very low131 Ų131127 Ų12785%0.85181%0.81SS**  -137.7174.9110.739-29.4000113.5
775S29.8Very low32.7Very low122 Ų122126.7 Ų126.785%0.85381%0.807SS**  trans-135148.9-178.851.30000112.3
776S29.5Very low31.8Very low125 Ų125126.3 Ų126.387%0.87481%0.808SS**  trans-153.8172.6165.266.50000110
777M29.9Very low32.3Very low175 Ų175131.1 Ų131.186%0.86281%0.809SS**  trans-120.9159.3-159.1-62.6-157.5115.900116
778S29.5Very low32.5Very low114 Ų114139 Ų13980%0.79782%0.819SS**  trans60.5131.3139.363.50000121.2
779A29.3Very low32.8Very low100 Ų100140.7 Ų140.783%0.82683%0.826SS**  -172.2152.5102.600000112.8
780S32.3Very low32.9Very low112 Ų112135.7 Ų135.778%0.78382%0.823SS**  trans-140.7145.9167.8-56.10000109.9
781P45.7Very low32.9Very low133 Ų133136.6 Ų136.686%0.86483%0.829SS**  trans-92.4176.3171.535.2-31.7000113.4
782L30.2Very low33.8Very low173 Ų173135.5 Ų135.591%0.90682%0.822SS**  trans-129.5161.2-158-69.2138.2000114.5
783S29.1Very low33.9Very low109 Ų109139.1 Ų139.176%0.76283%0.829SS**  trans-152.1113.5146.747.60000114.1
784S31.4Very low33.8Very low101 Ų101137.6 Ų137.671%0.70682%0.824SS**  trans36.4105133.9590000119.9
785S35Very low34.7Very low100 Ų100136.5 Ų136.570%0.69982%0.817SS**  94.512667.367.60000116.2
786S32.4Very low34.6Very low124 Ų124136.8 Ų136.887%0.86781%0.814SS**  -168.5153.6122.6-80.60000111.3
787H36.5Very low35.1Very low180 Ų180136 Ų13683%0.83381%0.809SS**  trans-117163.8-166.2-64.2-83.8000115.1
788R30.6Very low36.4Very low254 Ų254133.8 Ų133.896%0.95881%0.807SS**  trans-146.5166.7130.1-109.9173.5-167.9-133.30.5112.7
789R33.4Very low36.6Very low245 Ų245132.5 Ų132.593%0.92580%0.804SS**  trans-114.1174.2-168.2-130.1177.9-178-177.71.3108.8
790A30.5Very low37Very low84 Ų84133.3 Ų133.369%0.69480%0.803SS**  cis-152-150.913.900000112.9
791T29.2Very low36.9Very low138 Ų138133 Ų13385%0.84780%0.801SS**  trans-123.7-146.6-156.249.50000114.9
792P63.2Low36.3Very low111 Ų111134.5 Ų134.572%0.72180%0.798SS**  -132.8177.2-110.642.7-23.6000117.6
793T28.2Very low37.4Very low152 Ų152132.1 Ų132.193%0.93379%0.793SS**  trans-159.5169.3161.614.90000114.3
794S32.3Very low37.8Very low107 Ų107131.8 Ų131.875%0.74879%0.791SS**  trans-147.3-166.6178.465.10000108.8
795P61Low39Very low108 Ų108132.7 Ų132.770%0.70180%0.795SS**  cis-133.5-163.4-13.642-23.8000113.3
796T28.2Very low39Very low128 Ų128133.1 Ų133.179%0.78580%0.797SS**  156.2145.6127.5-59.40000113.3
797S38.6Very low39.2Very low109 Ų109138.9 Ų138.976%0.76280%0.8SS**  trans-129.2-148.5-178.2-340000110.5
798P57.6Low39.1Very low127 Ų127134.9 Ų134.983%0.82579%0.792SS**  cis-103-143.8-6.243.5-31.1000111
799A34.1Very low39.1Very low88 Ų88130.4 Ų130.473%0.72779%0.787SS**  cis-163168.4-2.400000106.6
800S38.2Very low39.3Very low117 Ų117124.7 Ų124.782%0.81878%0.779SS**  cis-157.7-162.1-13.752.10000106
801S29.4Very low40.3Very low106 Ų106126.2 Ų126.274%0.74178%0.782SS**  cis-154-149.97.566.90000111
802M32.9Very low40.6Very low163 Ų163124.1 Ų124.180%0.80378%0.779SS**  trans-154.5-177.1-178.4-78.3-154.179.400109.4
803P52.7Low39.2Very low123 Ų123124.4 Ų124.480%0.79978%0.783SS**  cis-145.9-158.816.845.2-22.8000117.3
804S39.1Very low40.4Very low102 Ų102122.3 Ų122.371%0.71377%0.772SS**  trans-152.9158.5175.861.70000113.3
805P55.5Low40.5Very low121 Ų121127.4 Ų127.479%0.78678%0.775SS**  trans-153.5141.215037.2-17.8000120.2
806S35.6Very low39.2Very low108 Ų108133.2 Ų133.276%0.75578%0.783SS**  trans59.9124.4135.1700000128
807R37.1Very low39.2Very low245 Ų245130.7 Ų130.793%0.92578%0.783SS**  trans60.6157134.6-81.2-174.7171.9-176.2-2.7121.5
808S33.6Very low38.8Very low96 Ų96130.4 Ų130.467%0.67179%0.787SS**  cis-165.5152.8-6.344.60000110.6
809L31.6Very low37.5Very low161 Ų161129.4 Ų129.484%0.84379%0.79SS**  176178.293.3-105.4169.5000112.6
810T36.2Very low37.3Very low125 Ų125130.1 Ų130.177%0.76780%0.795SS**  trans-111.9-171.4-177.853.90000111.8
811P53Low37.1Very low115 Ų115130.1 Ų130.175%0.74780%0.795SS**  cis-144.2179.64.845.5-26.4000119.3
812A34.2Very low38.5Very low95 Ų95131 Ų13179%0.78580%0.799SS**  trans64.4161.2153.500000119.2
813S33.7Very low38.4Very low117 Ų117127.6 Ų127.682%0.81880%0.796SS**  cis-153.6173.9-2.7-130.30000111.2
814P54.2Low37.4Very low108 Ų108130.6 Ų130.670%0.70180%0.8SS**  trans-131.1174.8-160.645.2-33.1000119.6
815R33.3Very low37.1Very low213 Ų213132.3 Ų132.380%0.80481%0.805SS**  trans83.6129.7146.2-84.5179.2173.8-168.6-0.3124
816R33.6Very low35.9Very low230 Ų230131.1 Ų131.187%0.86881%0.806SS**  trans68.8144.9132.6-79.1-174.2166.9-165.3-4.4122.7
817G28.2Very low35.8Very low76 Ų76131.1 Ų131.178%0.78481%0.812SS**  trans122.1122.3160.100000112.3
818A30.2Very low35.7Very low102 Ų102125.8 Ų125.884%0.84381%0.807SS**  cis117.4122.4200000114.2
819A30.7Very low36.8Very low107 Ų107126.4 Ų126.488%0.88481%0.809SS**  trans65.3121.4167.500000120.1
820A30.5Very low36.8Very low102 Ų102126.7 Ų126.784%0.84381%0.806SS**  174.2147.7125.800000112.7
821S34.3Very low36.7Very low117 Ų117125.7 Ų125.782%0.81880%0.804SS**  trans-122.6-172.3162.8-34.30000107.4
822P58.8Low35.7Very low126 Ų126125.1 Ų125.182%0.81880%0.803SS**  cis-131.3-179.5-21.641.2-25.5000113.4
823A31.3Very low35.7Very low91 Ų91125.3 Ų125.375%0.75280%0.804SS**  trans168.4135.3150.100000107.6
824E30.8Very low35.8Very low185 Ų185125.1 Ų125.186%0.86480%0.803SS**  cis83.9150.144.4-75.4-151.6138.100116.2
825V32.7Very low35.7Very low138 Ų138124.5 Ų124.584%0.83680%0.799SS**  trans69108.3-171.4-167.50000113.3
826A30.7Very low35.8Very low96 Ų96122 Ų12279%0.79380%0.802SS**  cis82.9972600000116.1
827A33.2Very low35.7Very low108 Ų108114.8 Ų114.889%0.89380%0.798SS**  trans-158.3128157.200000112.4
828T34.1Very low35.9Very low133 Ų133118.4 Ų118.482%0.81681%0.805SS**  trans-103.7179.817241.50000110.2
829P58.1Low36Very low109 Ų109117.1 Ų117.171%0.70880%0.803SS**  cis-135.1-130-31.235.4-13.2000111
830E31.5Very low36.3Very low168 Ų168119.4 Ų119.479%0.78581%0.805SS**  trans84.3115.5171.4-58.3-168.6178.900116.2
831S34.1Very low36.5Very low103 Ų103119.4 Ų119.472%0.7281%0.805SS**  83.514170.4128.70000112.1
832S31.8Very low36.6Very low104 Ų104118.2 Ų118.273%0.72780%0.802SS**  cis-165.8-174.5-4.240.60000109.9
833A33.4Very low36.2Very low98 Ų98117.8 Ų117.881%0.8180%0.8SS**  trans72113.4163.200000119.9
834S36.4Very low36.3Very low113 Ų113119.3 Ų119.379%0.7980%0.804SS**  trans-77.8-172146.956.30000109.5
835P52.3Low36.6Very low96 Ų96115.7 Ų115.762%0.62380%0.8SS**  cis-144.2-171.111.246.1-26.4000117.4
836D35Very low37.3Very low161 Ų161114.9 Ų114.986%0.86180%0.797SS**  trans62136.5152.2-59.7-25.1000122.3
837G32.2Very low37.7Very low77 Ų77118.7 Ų118.779%0.79480%0.796SS**  trans171.984.9175.700000113.5
838T32.9Very low38.2Very low152 Ų152119.4 Ų119.493%0.93379%0.792SS**  trans-72.7140.5-179.651.80000113.6
839G32.1Very low38.2Very low76 Ų76120.3 Ų120.378%0.78479%0.786SS**  trans-160.1125.5168.800000113.3
840V37.2Very low36.9Very low155 Ų155122.5 Ų122.594%0.93979%0.789SS**  trans-112.7122.2179.7173.90000110
841A33.5Very low37Very low102 Ų102120.3 Ų120.384%0.84378%0.782SS**  trans-159.7137.7159.600000112.7
842A37Very low37.1Very low92 Ų92123.7 Ų123.776%0.7679%0.787SS**  trans-127.3175.7155.400000106.2
843P49.7Very low37.3Very low117 Ų117125.6 Ų125.676%0.7679%0.794SS**  cis-132.5-173.82.342.7-26.7000113.5
844S33.6Very low37.3Very low122 Ų122126.2 Ų126.285%0.85379%0.793SS**  trans152140.9132.1580000113.3
845S36.5Very low37.2Very low109 Ų109134.4 Ų134.476%0.76282%0.815SS**  trans-89.3157.6176.361.70000110.6
846P48.9Very low36.5Very low122 Ų122136.4 Ų136.479%0.79282%0.824SS**  -144.9169.867.137.7-18.6000117.2
847K38Very low36.6Very low175 Ų175135.1 Ų135.176%0.76182%0.822SS**  trans-70.8165.9168.2-59.2178.1178.4-179.90111.8
848P44.8Very low36.8Very low124 Ų124138.3 Ų138.381%0.80582%0.824SS**  -118.1164.7123.535.7-33.7000113.4
849H32.2Very low37Very low152 Ų152137.5 Ų137.570%0.70482%0.818SS**  trans-80.2176.6163.5-73.6-129.4000109
850M32.4Very low37.3Very low155 Ų155141.3 Ų141.376%0.76482%0.82SS**  cis-163.8-173.720.2-148.7155.376.200112
851N33.1Very low37.3Very low121 Ų121140.4 Ų140.465%0.64781%0.812SS**  trans84.2102.2160.3-6717.1000120.3
852E36.2Very low37.6Very low174 Ų174143.1 Ų143.181%0.81381%0.81SS**  4.7127121-52.7173.2147.200118.5
853T35.9Very low37.7Very low144 Ų144147.1 Ų147.188%0.88381%0.813SS**  -164.8159.8103.818.30000110.5
854S33.3Very low36.7Very low111 Ų111149.6 Ų149.678%0.77682%0.818SS**  trans-77.5151.1-178-41.10000113.4
855F35.2Very low37Very low286 Ų286152.1 Ų152.1100%1.25482%0.815SS**  -155.40128.5-112.2-68.6000111.2

Retrieved 855 of 855 residues in 989.8 ms (Link to these results)

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