A0A096LZW2_POEFO Loading...

Cholinergic receptor nicotinic beta 4 subunit

AlphaFold DB , UniProt , Accession A0A096LZW2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 490 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
1V41.7Very low59.9Low194 Ų194102.5 Ų102.5100%1.17661%0.607SS**  0119.20-178.50000107.3
2L40.2Very low62.4Low149 Ų149104.3 Ų104.378%0.7861%0.605SS**  trans-83.9137.6-173.4-72.4163.5000110.8G4 S5L2-G4 PolarHBondContact O-N 3.15Å; L2-S5 PolarHBondContact O-N 3.08Å
3P46.2Very low64.6Low124 Ų124104.8 Ų104.881%0.80559%0.591SS**THydrogen-bonded Turntrans-68.8-13.8-174.326.4-34.1000114.6S5P3-S5 PolarHBondContact O-N 3.37Å
4G49.8Very low66.6Low62 Ų6297.4 Ų97.464%0.63955%0.548SS*.THydrogen-bonded Turntrans-69.3-11176.900000115.4L2 R6L2-G4 PolarHBondContact O-N 3.15Å; G4-R6 PolarHBondContact O-N 3.42Å
5S52.7Low68.3Low86 Ų8694.4 Ų94.460%0.60153%0.529SS*.Hα-helixtrans-77.3-16.4-174-170.20000115.1L2 P3L2-S5 PolarHBondContact O-N 3.08Å; P3-S5 PolarHBondContact O-N 3.37Å
6R55.6Low69.7Low188 Ų18895 Ų9571%0.70953%0.531SS*.Hα-helixtrans-85.2-41.5-172.9-73.9-175.4173.4176.4-3.3113.9G4 A8 D9 S10G4-R6 PolarHBondContact O-N 3.42Å; R6-A8 VanDerWaalsContact C-N 3.29Å; R6-A8 PolarHBondContact O-N 2.95Å; R6-D9 WeakPolarHBondContact O-CB 3.21Å; R6-D9 PolarHBondContact O-N 3.11Å; R6-S10 PolarHBondContact O-N 3.12Å
7S56.9Low71Confident67 Ų6795.8 Ų95.847%0.46952%0.524SS..Hα-helixtrans-62.9-34.4-176.1-167.90000113E11S7-E11 PolarHBondContact O-N 3.26Å; S7-E11 VanDerWaalsContact O-N 3.13Å
8A62.7Low72.2Confident63 Ų6390.4 Ų90.452%0.52150%0.495SS..Hα-helixtrans-69.9-40.517700000112.2R6 S10 E11 E12R6-A8 VanDerWaalsContact C-N 3.29Å; R6-A8 PolarHBondContact O-N 2.95Å; A8-S10 VanDerWaalsContact C-N 3.32Å; A8-S10 PolarHBondContact O-N 3.17Å; A8-E11 PolarHBondContact O-N 3.3Å; A8-E12 WeakPolarHBondContact O-CB 3.25Å; A8-E12 PolarHBondContact O-N 3.31Å
9D78.4Confident73.4Confident94 Ų9487.9 Ų87.950%0.50348%0.48SS..Hα-helixtrans-62.9-37.9174.8-179.962.6000111.5R6 R13R6-D9 WeakPolarHBondContact O-CB 3.21Å; R6-D9 PolarHBondContact O-N 3.11Å; D9-R13 WeakPolarHBondContact O-CB 3.31Å; D9-R13 PolarHBondContact O-N 2.78Å; D9-R13 IonicContact OD2-NH1 3.37Å
10S85.8Confident74.3Confident2 Ų284.8 Ų84.81%0.01447%0.469CS..Hα-helixtrans-66.8-42.6174.3-71.20000113.6R6 A8 L14 E82R6-S10 PolarHBondContact O-N 3.12Å; A8-S10 VanDerWaalsContact C-N 3.32Å; A8-S10 PolarHBondContact O-N 3.17Å; S10-L14 WeakPolarHBondContact O-CB 3.43Å; S10-L14 PolarHBondContact O-N 3.05Å; S10-E82 VanDerWaalsContact CB-OE2 3.29Å; S10-E82 WeakPolarHBondContact CB-OE2 2.98Å; S10-E82 WeakPolarHBondContact OG-CG 3.49Å; S10-E82 PolarHBondContact OG-OE2 2.74Å
11E88.7Confident74.7Confident98 Ų9890.1 Ų90.146%0.45849%0.487SS..Hα-helixtrans-65.9-42.7173.9-79.5-170.4-176.200111.9S7 A8 L14 M15 I84S7-E11 PolarHBondContact O-N 3.26Å; S7-E11 VanDerWaalsContact O-N 3.13Å; A8-E11 PolarHBondContact O-N 3.3Å; E11-L14 PolarHBondContact O-N 3.18Å; E11-M15 WeakPolarHBondContact O-CB 3.32Å; E11-M15 PolarHBondContact O-N 2.77Å; E11-I84 HydrophobicContact CB-CD1 4.41Å; E11-I84 HydrophobicContact CG-CD1 3.57Å; E11-I84 HydrophobicContact CG-CG1 4.31Å
12E90.1Very high76.8Confident124 Ų12489.2 Ų89.258%0.57948%0.476SS*.Hα-helixtrans-63.6-45177-176.6174.616900111.5A8 L14 M15 N16A8-E12 WeakPolarHBondContact O-CB 3.25Å; A8-E12 PolarHBondContact O-N 3.31Å; E12-L14 VanDerWaalsContact C-N 3.31Å; E12-L14 PolarHBondContact O-N 3.29Å; E12-M15 PolarHBondContact O-N 3.08Å; E12-N16 WeakPolarHBondContact O-CB 3.37Å; E12-N16 PolarHBondContact O-N 3.36Å; E12-N16 PolarHBondContact O-ND2 3.04Å
13R91.2Very high79.2Confident112 Ų11287.1 Ų87.142%0.42346%0.458SS..Hα-helixtrans-61.3-38.3175.1-173.1176.270.7-129.21.1112.1D9 W17 Y81D9-R13 WeakPolarHBondContact O-CB 3.31Å; D9-R13 PolarHBondContact O-N 2.78Å; D9-R13 IonicContact OD2-NH1 3.37Å; R13-W17 VanDerWaalsContact O-CB 3.27Å; R13-W17 WeakPolarHBondContact O-CB 3.29Å; R13-W17 PolarHBondContact O-N 3.13Å; R13-Y81 HydrophobicContact CG-CE1 4.34Å
14L92.1Very high81.5Confident0 Ų081.9 Ų81.90%042%0.422CS..Hα-helixtrans-66.8-47.4174.8179.157.8000111.2S10 E11 E12 N16 W17 L18 W76 Y81 I84 I87S10-L14 WeakPolarHBondContact O-CB 3.43Å; S10-L14 PolarHBondContact O-N 3.05Å; E11-L14 PolarHBondContact O-N 3.18Å; E12-L14 VanDerWaalsContact C-N 3.31Å; E12-L14 PolarHBondContact O-N 3.29Å; L14-N16 PolarHBondContact O-N 3.21Å; L14-W17 HydrophobicContact CD1-CE3 4.23Å; L14-W17 PolarHBondContact O-N 3.42Å; L14-W17 VanDerWaalsContact O-N 3.15Å; L14-L18 HydrophobicContact CD1-CD1 3.79Å; L14-L18 HydrophobicContact CD1-CD2 4.43Å; L14-L18 HydrophobicContact CD1-CG 3.87Å; L14-L18 HydrophobicContact CG-CD1 3.84Å; L14-L18 HydrophobicContact CG-CG 4.32Å; L14-L18 WeakPolarHBondContact O-CB 3.44Å; L14-L18 WeakPolarHBondContact O-CG 3.46Å; L14-L18 PolarHBondContact O-N 3.44Å; L14-W76 HydrophobicContact CD1-CB 3.86Å; L14-W76 HydrophobicContact CD1-CD2 4.03Å; L14-W76 HydrophobicContact CD1-CG 3.69Å; L14-W76 HydrophobicContact CD2-CD2 3.93Å; L14-W76 HydrophobicContact CD2-CG 4.15Å; L14-W76 HydrophobicContact CD2-CZ2 4.14Å; L14-Y81 HydrophobicContact CB-CD1 3.64Å; L14-Y81 HydrophobicContact CB-CE1 3.81Å; L14-Y81 HydrophobicContact CB-CG 4.22Å; L14-Y81 HydrophobicContact CD1-CD1 4.09Å; L14-Y81 HydrophobicContact CD1-CD2 3.95Å; L14-Y81 HydrophobicContact CD1-CE1 3.97Å; L14-Y81 HydrophobicContact CD1-CE2 3.84Å; L14-Y81 HydrophobicContact CD1-CG 4.07Å; L14-Y81 HydrophobicContact CD2-CG 4.47Å; L14-Y81 HydrophobicContact CG-CD1 4.33Å; L14-Y81 HydrophobicContact CG-CE1 4.48Å; L14-Y81 HydrophobicContact CG-CG 4.48Å; L14-I84 HydrophobicContact CD2-CB 4.49Å; L14-I84 HydrophobicContact CD2-CG2 4.01Å; L14-I87 HydrophobicContact CD2-CD1 4.5Å; L14-I87 HydrophobicContact CD2-CG2 3.82Å
15M92.1Very high83.6Confident53 Ų5382.1 Ų82.126%0.26141%0.409SS..Hα-helixtrans-58.8-47.7179.6-170.369.313000112E11 E12 W17 L18 L19 I89E11-M15 WeakPolarHBondContact O-CB 3.32Å; E11-M15 PolarHBondContact O-N 2.77Å; E12-M15 PolarHBondContact O-N 3.08Å; M15-W17 VanDerWaalsContact C-N 3.28Å; M15-W17 PolarHBondContact O-N 2.82Å; M15-L18 PolarHBondContact O-N 2.85Å; M15-L19 HydrophobicContact CE-CD1 4.18Å; M15-L19 HydrophobicContact CG-CD1 4.2Å; M15-L19 PolarHBondContact O-N 3.32Å; M15-L19 HydrophobicContact SD-CD1 3.56Å; M15-L19 VanDerWaalsContact SD-CD1 3.56Å; M15-L19 HydrophobicContact SD-CG 4.25Å; M15-I89 HydrophobicContact CE-CB 4.27Å; M15-I89 HydrophobicContact CE-CG1 4.03Å; M15-I89 HydrophobicContact CE-CG2 4.04Å; M15-I89 HydrophobicContact SD-CD1 4.13Å; M15-I89 HydrophobicContact SD-CG1 3.93Å; M15-I89 HydrophobicContact SD-CG2 4.43Å
16N91.3Very high85.5Confident104 Ų10480.4 Ų80.456%0.55640%0.395SS*.Hα-helixtrans-64.7-31177.4-73.8-32.8000112.7E12 L14 G20E12-N16 WeakPolarHBondContact O-CB 3.37Å; E12-N16 PolarHBondContact O-N 3.36Å; E12-N16 PolarHBondContact O-ND2 3.04Å; L14-N16 PolarHBondContact O-N 3.21Å; N16-G20 WeakPolarHBondContact O-CA 3.29Å; N16-G20 PolarHBondContact O-N 2.85Å
17W91.8Very high87.2Confident108 Ų10878.4 Ų78.441%0.40940%0.398SS..Hα-helixtrans-77.3-37.2176.8-178.387.6000112.7R13 L14 M15 R23 W76 Y81R13-W17 VanDerWaalsContact O-CB 3.27Å; R13-W17 WeakPolarHBondContact O-CB 3.29Å; R13-W17 PolarHBondContact O-N 3.13Å; L14-W17 HydrophobicContact CD1-CE3 4.23Å; L14-W17 PolarHBondContact O-N 3.42Å; L14-W17 VanDerWaalsContact O-N 3.15Å; M15-W17 VanDerWaalsContact C-N 3.28Å; M15-W17 PolarHBondContact O-N 2.82Å; W17-R23 PolarHBondContact O-NE 2.96Å; W17-R23 PolarHBondContact O-NH1 3.09Å; W17-R23 PolarHBondContact O-NH2 2.77Å; W17-W76 HydrophobicContact CZ3-CB 4.07Å; W17-Y81 VanDerWaalsContact CD2-OH 3.27Å
18L92.9Very high88.9Confident0 Ų079.7 Ų79.70%040%0.399CS..Hα-helixtrans-73.6-49.1177.9-71175000112.2L14 M15 G20 Y24 L74 W76 I87L14-L18 HydrophobicContact CD1-CD1 3.79Å; L14-L18 HydrophobicContact CD1-CD2 4.43Å; L14-L18 HydrophobicContact CD1-CG 3.87Å; L14-L18 HydrophobicContact CG-CD1 3.84Å; L14-L18 HydrophobicContact CG-CG 4.32Å; L14-L18 WeakPolarHBondContact O-CB 3.44Å; L14-L18 WeakPolarHBondContact O-CG 3.46Å; L14-L18 PolarHBondContact O-N 3.44Å; M15-L18 PolarHBondContact O-N 2.85Å; L18-G20 VanDerWaalsContact C-N 3.33Å; L18-Y24 WeakPolarHBondContact O-CB 3.16Å; L18-L74 HydrophobicContact CB-CD2 4.09Å; L18-L74 HydrophobicContact CD2-CD2 4.48Å; L18-W76 HydrophobicContact CD1-CE3 3.85Å; L18-W76 HydrophobicContact CD1-CZ3 4.14Å; L18-W76 HydrophobicContact CD2-CE3 4.35Å; L18-I87 HydrophobicContact CD1-CD1 3.34Å
19L93.8Very high90.4Very high43 Ų4378.2 Ų78.223%0.22538%0.38CS..SBendtrans-93.716.3-176.4-57.6178.7000113.5M15 K21 Y24 L74 I89 H93M15-L19 HydrophobicContact CE-CD1 4.18Å; M15-L19 HydrophobicContact CG-CD1 4.2Å; M15-L19 PolarHBondContact O-N 3.32Å; M15-L19 HydrophobicContact SD-CD1 3.56Å; M15-L19 VanDerWaalsContact SD-CD1 3.56Å; M15-L19 HydrophobicContact SD-CG 4.25Å; L19-K21 PolarHBondContact O-N 2.93Å; L19-Y24 HydrophobicContact CD2-CD1 4.07Å; L19-Y24 HydrophobicContact CD2-CG 4.28Å; L19-L74 HydrophobicContact CD2-CD2 4.23Å; L19-I89 HydrophobicContact CD1-CD1 4.49Å; L19-I89 HydrophobicContact CD1-CG2 3.83Å; L19-I89 HydrophobicContact CD2-CD1 4.4Å; L19-H93 HydrophobicContact CD1-CB 4.25Å
20G91.2Very high91.2Very high24 Ų2474.2 Ų74.225%0.24736%0.359CS..  trans-57.4133.5175.200000111.5N16 L18 D22 R23 Y24N16-G20 WeakPolarHBondContact O-CA 3.29Å; N16-G20 PolarHBondContact O-N 2.85Å; L18-G20 VanDerWaalsContact C-N 3.33Å; G20-D22 PolarHBondContact O-N 3.11Å; G20-D22 VanDerWaalsContact O-N 3.08Å; G20-R23 PolarHBondContact O-N 2.9Å; G20-Y24 PolarHBondContact O-N 2.95Å
21K84.5Confident91.6Very high197 Ų19775 Ų7586%0.85737%0.365SS*.THydrogen-bonded Turntrans-54.2-32.3-172.9-67-175.7179179.70114.1L19 R23L19-K21 PolarHBondContact O-N 2.93Å; K21-R23 VanDerWaalsContact C-N 3.29Å; K21-R23 PolarHBondContact O-N 3.01Å
22D85.9Confident91.6Very high176 Ų17675.7 Ų75.794%0.94137%0.371SS*.THydrogen-bonded Turntrans-80.9-8.4-178.2-48.7-49.3000113.3G20G20-D22 PolarHBondContact O-N 3.11Å; G20-D22 VanDerWaalsContact O-N 3.08Å
23R89.8Confident91.7Very high104 Ų10474.7 Ų74.739%0.39237%0.37SS..THydrogen-bonded Turntrans-114.4-48.4-177.8-176-171.6-57.3-173.710.3113.2W17 G20 K21W17-R23 PolarHBondContact O-NE 2.96Å; W17-R23 PolarHBondContact O-NH1 3.09Å; W17-R23 PolarHBondContact O-NH2 2.77Å; G20-R23 PolarHBondContact O-N 2.9Å; K21-R23 VanDerWaalsContact C-N 3.29Å; K21-R23 PolarHBondContact O-N 3.01Å
24Y94.8Very high91.4Very high15 Ų1580.7 Ų80.76%0.05939%0.392CS..  trans-109122.6-168-160.8-91.3000111.9L18 L19 G20 P26 D71 R73 L74 H93 W95L18-Y24 WeakPolarHBondContact O-CB 3.16Å; L19-Y24 HydrophobicContact CD2-CD1 4.07Å; L19-Y24 HydrophobicContact CD2-CG 4.28Å; G20-Y24 PolarHBondContact O-N 2.95Å; Y24-P26 HydrophobicContact CE1-CB 4.06Å; Y24-D71 WeakPolarHBondContact CE2-OD2 3.44Å; Y24-D71 PolarHBondContact OH-OD2 3.41Å; Y24-R73 HydrophobicContact CD2-CB 4.12Å; Y24-R73 HydrophobicContact CE2-CB 4.16Å; Y24-R73 PolarHBondContact OH-NH2 3.34Å; Y24-L74 HydrophobicContact CD2-CD2 3.83Å; Y24-L74 HydrophobicContact CD2-CG 4.09Å; Y24-L74 HydrophobicContact CE2-CD1 3.73Å; Y24-L74 HydrophobicContact CE2-CD2 3.77Å; Y24-L74 HydrophobicContact CE2-CG 3.56Å; Y24-H93 WeakPolarHBondContact CE1-O 3.42Å; Y24-W95 PolarHBondContact OH-N 3.2Å
25N93.5Very high91.3Very high67 Ų6786.8 Ų86.836%0.35843%0.43SS..  trans-123.5110.4172.9-174.1-16.2000109.1L27 I28 R73N25-L27 PolarHBondContact O-N 2.99Å; N25-L27 WeakPolarHBondContact OD1-CB 3.49Å; N25-L27 PolarHBondContact OD1-N 3.05Å; N25-I28 HydrophobicContact CB-CD1 4.04Å; N25-I28 HydrophobicContact CB-CG1 4.22Å; N25-I28 PolarHBondContact O-N 2.9Å; N25-R73 PolarHBondContact O-NH1 3.26Å
26P92.5Very high91.3Very high49 Ų4988 Ų8832%0.31844%0.435SS..THydrogen-bonded Turntrans-68.4-12.7-177.628.9-35.5000113.4Y24 I28 W95Y24-P26 HydrophobicContact CE1-CB 4.06Å; P26-I28 VanDerWaalsContact C-N 3.3Å; P26-W95 WeakPolarHBondContact O-CA 3.37Å; P26-W95 WeakPolarHBondContact O-CB 3.43Å; P26-W95 VanDerWaalsContact O-CD1 3.26Å
27L92.2Very high91.4Very high146 Ų14688.3 Ų88.376%0.76443%0.428SS*.THydrogen-bonded Turntrans-79.1-12.5177.1-56.4176.6000113.2N25N25-L27 PolarHBondContact O-N 2.99Å; N25-L27 WeakPolarHBondContact OD1-CB 3.49Å; N25-L27 PolarHBondContact OD1-N 3.05Å
28I92.5Very high91.6Very high95 Ų9583.6 Ų83.649%0.48741%0.411SS..SBendtrans-107.5125.2-174.8-55.1178.2000109.4N25 P26 R73N25-I28 HydrophobicContact CB-CD1 4.04Å; N25-I28 HydrophobicContact CB-CG1 4.22Å; N25-I28 PolarHBondContact O-N 2.9Å; P26-I28 VanDerWaalsContact C-N 3.3Å; I28-R73 PolarHBondContact O-NH1 3.19Å; I28-R73 PolarHBondContact O-NH2 3.06Å
29R94.3Very high91.7Very high32 Ų3286.6 Ų86.612%0.12143%0.429CS..  trans-62.8142.7178.169.2178.6175.494-2.2112.2A31 R34 E36 V38 W95 Y160 E164R29-A31 VanDerWaalsContact C-N 3.25Å; R29-A31 PolarHBondContact O-N 2.88Å; R29-R34 PolarHBondContact NH2-O 2.81Å; R29-E36 PolarHBondContact NH1-O 2.68Å; R29-V38 HydrophobicContact CB-CG2 4.49Å; R29-W95 HydrophobicContact CB-CZ2 3.75Å; R29-Y160 HydrophobicContact CB-CE1 4.34Å; R29-E164 IonicContact CZ-OE1 3.57Å; R29-E164 IonicContact NE-OE1 2.81Å; R29-E164 PolarHBondContact NE-OE1 3.21Å; R29-E164 PolarHBondContact NH1-O 2.94Å; R29-E164 IonicContact NH2-OE1 3.17Å; R29-E164 PolarHBondContact NH2-OE1 2.97Å
30P94.8Very high91.9Very high10 Ų1084.5 Ų84.57%0.06542%0.419CS..  trans-80.466.8-175.333.9-38.1000112.5V38 D71 Y72 W95P30-V38 HydrophobicContact CG-CG1 4.19Å; P30-V38 HydrophobicContact CG-CG2 4.18Å; P30-D71 HydrophobicContact CB-CB 3.89Å; P30-D71 VanDerWaalsContact CB-CG 3.41Å; P30-D71 WeakPolarHBondContact CB-OD1 3.27Å; P30-D71 HydrophobicContact CG-CB 4.24Å; P30-Y72 HydrophobicContact CB-CD1 4.48Å; P30-W95 HydrophobicContact CG-CD2 4.27Å; P30-W95 HydrophobicContact CG-CE3 3.73Å; P30-W95 HydrophobicContact CG-CZ3 3.91Å
31A92.8Very high92.1Very high18 Ų1887.9 Ų87.915%0.14943%0.427CS..  trans-111.9134.7172.500000109.8R29 E36 V38R29-A31 VanDerWaalsContact C-N 3.25Å; R29-A31 PolarHBondContact O-N 2.88Å; A31-E36 HydrophobicContact CB-CB 4.33Å; A31-V38 HydrophobicContact CB-CG2 4.38Å
32I89.9Confident92.7Very high113 Ų11378.5 Ų78.558%0.57939%0.386SS*.SBendtrans-73.2-41.4177.2-57.4170.3000109E36 Y72I32-E36 WeakPolarHBondContact CA-OE2 3.19Å; I32-E36 VanDerWaalsContact CB-OE2 3.29Å; I32-E36 WeakPolarHBondContact CB-OE2 3.43Å; I32-E36 PolarHBondContact N-OE2 2.86Å; I32-Y72 HydrophobicContact CG1-CD1 3.85Å; I32-Y72 HydrophobicContact CG1-CE1 3.95Å; I32-Y72 HydrophobicContact CG1-CG 4.16Å
33N92Very high93.1Very high103 Ų10371.6 Ų71.655%0.55135%0.348SS*.SBendtrans-115.9149.6177-70.1-48.4000111.7T35 E36N33-T35 PolarHBondContact O-N 3.48Å; N33-E36 HydrophobicContact CB-CB 4.26Å; N33-E36 PolarHBondContact N-OE2 3.02Å; N33-E36 VanDerWaalsContact O-CB 3.32Å; N33-E36 WeakPolarHBondContact O-CB 3.3Å; N33-E36 PolarHBondContact O-N 2.78Å
34R85.8Confident93.3Very high237 Ų23766.6 Ų66.689%0.89433%0.329SS*.THydrogen-bonded Turntrans-56.6-34.3177-78.3-179165.4161.2-4.4113.9R29R29-R34 PolarHBondContact NH2-O 2.81Å
35T89Confident93.4Very high129 Ų12967 Ų6779%0.79133%0.334SS*.THydrogen-bonded Turntrans-84.4-6.8-179.652.70000114.2N33N33-T35 PolarHBondContact O-N 3.48Å
36E93.2Very high93.5Very high79 Ų7964 Ų6437%0.36932%0.318SS..  trans-78.4140.6178.2-175.5176.8-159.200110.4R29 A31 I32 N33R29-E36 PolarHBondContact NH1-O 2.68Å; A31-E36 HydrophobicContact CB-CB 4.33Å; I32-E36 WeakPolarHBondContact CA-OE2 3.19Å; I32-E36 VanDerWaalsContact CB-OE2 3.29Å; I32-E36 WeakPolarHBondContact CB-OE2 3.43Å; I32-E36 PolarHBondContact N-OE2 2.86Å; N33-E36 HydrophobicContact CB-CB 4.26Å; N33-E36 PolarHBondContact N-OE2 3.02Å; N33-E36 VanDerWaalsContact O-CB 3.32Å; N33-E36 WeakPolarHBondContact O-CB 3.3Å; N33-E36 PolarHBondContact O-N 2.78Å
37R93.3Very high93.5Very high110 Ų11062.2 Ų62.242%0.41531%0.308SS..  trans-101.6128.5179-63.6179.7-170.3-175.23.6110T39 H162 T163 E164R37-T39 PolarHBondContact O-N 2.96Å; R37-H162 VanDerWaalsContact CD-O 3.31Å; R37-H162 WeakPolarHBondContact CD-O 3.39Å; R37-H162 PolarHBondContact NE-O 2.93Å; R37-H162 PolarHBondContact NH1-NE2 2.9Å; R37-H162 PolarHBondContact NH1-O 3.44Å; R37-T163 WeakPolarHBondContact CG-O 3.5Å; R37-E164 WeakPolarHBondContact CA-O 3.47Å
38V95.4Very high93.7Very high8 Ų859.1 Ų59.15%0.04829%0.289CS..EExtended strand (participates in β ladder)trans-74.5112.5173.5-176.60000107.7R29 P30 A31 V40 W69 W95 E164 I165 D166R29-V38 HydrophobicContact CB-CG2 4.49Å; P30-V38 HydrophobicContact CG-CG1 4.19Å; P30-V38 HydrophobicContact CG-CG2 4.18Å; A31-V38 HydrophobicContact CB-CG2 4.38Å; V38-V40 HydrophobicContact CG1-CG2 4.29Å; V38-V40 PolarHBondContact O-N 3.02Å; V38-W69 HydrophobicContact CG1-CB 4.47Å; V38-W95 HydrophobicContact CB-CH2 4.37Å; V38-W95 HydrophobicContact CG1-CH2 3.93Å; V38-W95 HydrophobicContact CG1-CZ3 4.02Å; V38-E164 PolarHBondContact N-O 2.89Å; V38-I165 HydrophobicContact CB-CG1 4.44Å; V38-I165 WeakPolarHBondContact O-CA 3.01Å; V38-D166 PolarHBondContact O-N 2.85Å
39T95.7Very high93.8Very high63 Ų6354.8 Ų54.839%0.38727%0.267SS..EExtended strand (participates in β ladder)trans-80116.4177.6-58.40000109.9R37 D166 I168R37-T39 PolarHBondContact O-N 2.96Å; T39-D166 WeakPolarHBondContact CA-O 3.29Å; T39-I168 HydrophobicContact CG2-CD1 3.51Å; T39-I168 HydrophobicContact CG2-CG1 4.07Å
40V96.7Very high93.8Very high0 Ų056.8 Ų56.80%028%0.279CS..EExtended strand (participates in β ladder)trans-110.9118.1176.5-173.90000109.1V38 W69 P97 I99 I165 D166 L167 I168V38-V40 HydrophobicContact CG1-CG2 4.29Å; V38-V40 PolarHBondContact O-N 3.02Å; V40-W69 HydrophobicContact CG2-CB 4.12Å; V40-P97 HydrophobicContact CG1-CG 3.95Å; V40-P97 HydrophobicContact CG2-CB 4Å; V40-P97 HydrophobicContact CG2-CG 4.04Å; V40-I99 HydrophobicContact CG1-CD1 3.84Å; V40-I165 HydrophobicContact CB-CG2 4.41Å; V40-I165 HydrophobicContact CG2-CG2 3.85Å; V40-D166 PolarHBondContact N-O 3.03Å; V40-L167 HydrophobicContact CB-CD2 4.14Å; V40-I168 PolarHBondContact O-N 3.26Å
41K96.8Very high93.8Very high95 Ų9558.8 Ų58.841%0.41329%0.294SS..EExtended strand (participates in β ladder)trans-90.4122.5176.2-64-177.1-179.1-178.50109.6H68 I168 K170K41-H68 HydrophobicContact CB-CB 4.3Å; K41-H68 PolarHBondContact N-O 2.85Å; K41-H68 PolarHBondContact O-N 3.37Å; K41-I168 CarbonylContact C-O 3.6Å; K41-I168 VanDerWaalsContact CA-O 3.29Å; K41-I168 WeakPolarHBondContact CA-O 3.41Å; K41-K170 HydrophobicContact CB-CB 4.41Å
42L95.7Very high93.9Very high0 Ų058.4 Ų58.40%029%0.289CS..EExtended strand (participates in β ladder)trans-107.4139.4179.7-161.766.6000110.9L65 T66 Q67 I99 F155 I168 K170 L206L42-L65 HydrophobicContact CD1-CD1 3.59Å; L42-L65 HydrophobicContact CD1-CD2 4.28Å; L42-L65 HydrophobicContact CD1-CG 3.77Å; L42-L65 HydrophobicContact CD2-CD1 4.19Å; L42-L65 HydrophobicContact CG-CD1 3.96Å; L42-T66 CarbonylContact C-O 3.54Å; L42-T66 WeakPolarHBondContact CA-O 3.17Å; L42-Q67 HydrophobicContact CD1-CG 3.69Å; L42-I99 HydrophobicContact CD1-CD1 4Å; L42-I99 HydrophobicContact CD1-CG2 4.49Å; L42-I99 HydrophobicContact CD2-CG2 4.31Å; L42-F155 HydrophobicContact CD2-CB 3.72Å; L42-F155 HydrophobicContact CD2-CD2 4.21Å; L42-F155 HydrophobicContact CD2-CG 3.95Å; L42-I168 PolarHBondContact N-O 2.94Å; L42-K170 PolarHBondContact O-N 2.78Å; L42-L206 HydrophobicContact CB-CD1 3.5Å; L42-L206 VanDerWaalsContact CB-CD1 3.5Å; L42-L206 HydrophobicContact CD2-CB 4.29Å; L42-L206 HydrophobicContact CD2-CD1 3.76Å; L42-L206 HydrophobicContact CG-CD1 4.27Å
43Q94.9Very high94.1Very high30 Ų3055.5 Ų55.514%0.1428%0.275CS..EExtended strand (participates in β ladder)trans-136.5130.8167.7-152.9-178.8-8.200109.3T66 K170 S171Q43-T66 PolarHBondContact N-O 2.92Å; Q43-T66 PolarHBondContact O-N 2.87Å; Q43-K170 HydrophobicContact CB-CB 4Å; Q43-K170 HydrophobicContact CB-CD 4.21Å; Q43-K170 HydrophobicContact CG-CB 4.27Å; Q43-K170 VanDerWaalsContact OE1-CE 3.29Å; Q43-S171 WeakPolarHBondContact CG-OG 3.39Å; Q43-S171 PolarHBondContact NE2-OG 3.15Å
44V94.8Very high94.1Very high0 Ų051.6 Ų51.60%025%0.253CS..EExtended strand (participates in β ladder)trans-96.4129.4168.5174.50000108.6V63 L65 F155 A174 S175 Y208V44-V63 HydrophobicContact CG1-CB 4.09Å; V44-V63 HydrophobicContact CG1-CG1 4.04Å; V44-L65 HydrophobicContact CG2-CD1 3.76Å; V44-F155 HydrophobicContact CG2-CD2 4.38Å; V44-F155 HydrophobicContact CG2-CE2 3.7Å; V44-F155 HydrophobicContact CG2-CZ 4.2Å; V44-A174 HydrophobicContact CB-CB 4.38Å; V44-A174 HydrophobicContact CG1-CB 4.45Å; V44-A174 CarbonylContact O-C 3.56Å; V44-A174 VanDerWaalsContact O-CA 3.3Å; V44-A174 WeakPolarHBondContact O-CA 3.29Å; V44-A174 WeakPolarHBondContact O-CB 3.3Å; V44-S175 PolarHBondContact O-N 2.88Å; V44-Y208 HydrophobicContact CB-CD1 4.33Å; V44-Y208 HydrophobicContact CB-CD2 4.22Å; V44-Y208 HydrophobicContact CB-CE1 4.11Å; V44-Y208 HydrophobicContact CB-CE2 4.01Å; V44-Y208 HydrophobicContact CB-CG 4.36Å; V44-Y208 HydrophobicContact CG2-CD2 3.61Å; V44-Y208 HydrophobicContact CG2-CE1 4.42Å; V44-Y208 HydrophobicContact CG2-CE2 3.41Å; V44-Y208 VanDerWaalsContact CG2-CE2 3.41Å; V44-Y208 HydrophobicContact CG2-CG 4.2Å; V44-Y208 PolarHBondContact N-OH 2.86Å
45S95.1Very high94.3Very high24 Ų2447.4 Ų47.417%0.16824%0.238CC..EExtended strand (participates in β ladder)trans-113.4126.3164.8-68.10000108.7V63 W64 S175S45-V63 CarbonylContact O-C 3.49Å; S45-V63 VanDerWaalsContact O-CA 3.32Å; S45-V63 WeakPolarHBondContact O-CA 3.31Å; S45-W64 PolarHBondContact N-O 2.77Å; S45-W64 PolarHBondContact O-N 2.8Å; S45-S175 CarbonylContact C-O 3.29Å; S45-S175 WeakPolarHBondContact CA-O 3.49Å; S45-S175 VanDerWaalsContact OG-CB 3.29Å; S45-S175 WeakPolarHBondContact OG-CB 3.32Å; S45-S175 PolarHBondContact OG-OG 3.24Å; S45-S175 VanDerWaalsContact OG-OG 3.06Å
46L95.6Very high94.4Very high2 Ų247.5 Ų47.51%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-91116.5-179.2-179.767000110.5T61 V63 S175 F179 I187 L190 F210L46-T61 HydrophobicContact CD1-CG2 4.2Å; L46-V63 HydrophobicContact CD1-CG1 3.84Å; L46-S175 PolarHBondContact N-O 3.23Å; L46-F179 HydrophobicContact CD2-CD2 3.94Å; L46-F179 HydrophobicContact CD2-CE2 3.85Å; L46-F179 HydrophobicContact CG-CD2 4.03Å; L46-F179 HydrophobicContact CG-CE2 4.3Å; L46-I187 HydrophobicContact CD2-CD1 3.25Å; L46-L190 HydrophobicContact CB-CD1 4.16Å; L46-L190 HydrophobicContact CD2-CD1 3.82Å; L46-F210 HydrophobicContact CD1-CE1 4.11Å; L46-F210 HydrophobicContact CD2-CE1 4.04Å
47A94.2Very high94.5Very high13 Ų1346.4 Ų46.411%0.10722%0.224CC..EExtended strand (participates in β ladder)trans-87-42174.100000111.7N62 T180A47-N62 PolarHBondContact N-O 3.19Å; A47-T180 PolarHBondContact O-N 2.85Å; A47-T180 PolarHBondContact O-OG1 2.95Å
48Q95Very high94.6Very high81 Ų8142.6 Ų42.638%0.37921%0.211SC..EExtended strand (participates in β ladder)trans-157.8137.5-179.5-164.9176.323.600112.7I50 N62 T180Q48-I50 HydrophobicContact CG-CG1 4.38Å; Q48-N62 HydrophobicContact CB-CB 4.2Å; Q48-N62 PolarHBondContact N-O 2.74Å; Q48-N62 PolarHBondContact O-N 3.42Å; Q48-T180 WeakPolarHBondContact CB-OG1 3.29Å; Q48-T180 WeakPolarHBondContact CG-OG1 3.46Å
49L95.5Very high94.6Very high3 Ų342.2 Ų42.22%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-86.9103160.4178.361.1000108V52 M59 T61 W185 I212L49-V52 HydrophobicContact CD1-CG2 4.06Å; L49-V52 HydrophobicContact CD2-CG2 4.35Å; L49-V52 HydrophobicContact CG-CG2 4.48Å; L49-M59 HydrophobicContact CD1-CG 3.82Å; L49-M59 HydrophobicContact CD1-SD 4.04Å; L49-T61 HydrophobicContact CD1-CG2 3.75Å; L49-W185 HydrophobicContact CD2-CB 3.75Å; L49-W185 HydrophobicContact CD2-CG 4.21Å; L49-I212 HydrophobicContact CD2-CD1 4.34Å; L49-I212 HydrophobicContact CD2-CG2 4.33Å
50I94.3Very high94.5Very high75 Ų7540 Ų4039%0.38520%0.196SC..EExtended strand (participates in β ladder)trans-74.8-52.3-172.1-66.3171.7000110.5Q48 T60 N62 I132Q48-I50 HydrophobicContact CG-CG1 4.38Å; I50-T60 HydrophobicContact CB-CG2 4.16Å; I50-T60 HydrophobicContact CD1-CG2 4.21Å; I50-T60 HydrophobicContact CG2-CG2 4.39Å; I50-T60 PolarHBondContact N-O 3.27Å; I50-N62 HydrophobicContact CD1-CB 4.01Å; I50-N62 HydrophobicContact CG1-CB 4.41Å; I50-I132 HydrophobicContact CD1-CG2 4.22Å
51S94.1Very high94.4Very high52 Ų5240 Ų4036%0.36420%0.196SC..EExtended strand (participates in β ladder)trans-159.5153.3-17961.20000111.8T60S51-T60 PolarHBondContact N-O 3.35Å; S51-T60 PolarHBondContact O-N 3.32Å; S51-T60 WeakPolarHBondContact OG-CB 3.24Å; S51-T60 PolarHBondContact OG-OG1 2.88Å
52V95.2Very high94.3Very high9 Ų937.4 Ų37.46%0.05519%0.186CC..EExtended strand (participates in β ladder)trans-123101.1166-177.50000105.5L49 E54 M59 I139 W185 I212L49-V52 HydrophobicContact CD1-CG2 4.06Å; L49-V52 HydrophobicContact CD2-CG2 4.35Å; L49-V52 HydrophobicContact CG-CG2 4.48Å; V52-E54 PolarHBondContact O-N 2.88Å; V52-M59 HydrophobicContact CG2-CG 4.23Å; V52-I139 HydrophobicContact CG1-CD1 3.99Å; V52-W185 HydrophobicContact CB-CZ2 4.11Å; V52-W185 HydrophobicContact CG1-CZ2 4.22Å; V52-W185 HydrophobicContact CG2-CD2 4.47Å; V52-I212 HydrophobicContact CG2-CD1 3.82Å
53N94Very high94.2Very high53 Ų5337.4 Ų37.428%0.28319%0.186SC..EExtended strand (participates in β ladder)trans-83.3102.5176.9-175.7-18.7000108.3R55 E56 Q57 I58N53-R55 VanDerWaalsContact C-N 3.32Å; N53-R55 PolarHBondContact O-N 2.97Å; N53-R55 PolarHBondContact OD1-N 2.82Å; N53-E56 HydrophobicContact CB-CB 4.33Å; N53-E56 WeakPolarHBondContact ND2-CG 3.28Å; N53-E56 PolarHBondContact ND2-OE1 2.99Å; N53-E56 PolarHBondContact ND2-OE2 2.87Å; N53-E56 PolarHBondContact OD1-N 3.2Å; N53-E56 VanDerWaalsContact OD1-N 3.17Å; N53-Q57 WeakPolarHBondContact O-CA 3.49Å; N53-Q57 PolarHBondContact O-N 2.82Å; N53-I58 PolarHBondContact N-O 3.05Å; N53-I58 PolarHBondContact O-N 2.85Å; N53-I58 VanDerWaalsContact O-N 3.1Å
54E91.6Very high94.2Very high21 Ų2140.8 Ų40.810%0.09820%0.198CC..THydrogen-bonded Turntrans-68.7-35.1-175.3-56.388.8160.900112.4V52 Q57 I139 R214 P270V52-E54 PolarHBondContact O-N 2.88Å; E54-Q57 WeakPolarHBondContact O-CG 3.34Å; E54-Q57 PolarHBondContact O-N 2.88Å; E54-I139 HydrophobicContact CB-CG1 4.3Å; E54-I139 HydrophobicContact CB-CG2 4.24Å; E54-I139 HydrophobicContact CG-CG2 4.17Å; E54-R214 IonicContact OE1-CZ 2.71Å; E54-R214 IonicContact OE1-NH1 2.64Å; E54-R214 PolarHBondContact OE1-NH1 3.49Å; E54-R214 IonicContact OE1-NH2 3.57Å; E54-R214 PolarHBondContact OE1-NH2 3.34Å; E54-P270 VanDerWaalsContact O-CB 3.23Å; E54-P270 WeakPolarHBondContact O-CB 3.47Å; E54-P270 WeakPolarHBondContact O-CD 3.36Å; E54-P270 VanDerWaalsContact O-CG 3.26Å; E54-P270 WeakPolarHBondContact O-CG 3.47Å
55R90.6Very high94.1Very high149 Ų14940.8 Ų40.856%0.56220%0.198SC*.THydrogen-bonded Turntrans-67.8-41.1-177.4-176.6179.8175.2-166.2-6112.1N53 K267N53-R55 VanDerWaalsContact C-N 3.32Å; N53-R55 PolarHBondContact O-N 2.97Å; N53-R55 PolarHBondContact OD1-N 2.82Å; R55-K267 WeakPolarHBondContact CD-O 3.48Å
56E91.8Very high94.1Very high130 Ų13040.5 Ų40.561%0.60720%0.195SC*.THydrogen-bonded Turntrans-86-13176.4-69172.4-174.300112.9N53 I58N53-E56 HydrophobicContact CB-CB 4.33Å; N53-E56 WeakPolarHBondContact ND2-CG 3.28Å; N53-E56 PolarHBondContact ND2-OE1 2.99Å; N53-E56 PolarHBondContact ND2-OE2 2.87Å; N53-E56 PolarHBondContact OD1-N 3.2Å; N53-E56 VanDerWaalsContact OD1-N 3.17Å; E56-I58 HydrophobicContact CB-CD1 3.99Å; E56-I58 HydrophobicContact CB-CG1 4.02Å
57Q93.4Very high94.1Very high56 Ų5640.5 Ų40.526%0.26220%0.195SC..THydrogen-bonded Turntrans62.640.8-175.5-60-171.6-0.300113N53 E54 A136 C137 I139 P270N53-Q57 WeakPolarHBondContact O-CA 3.49Å; N53-Q57 PolarHBondContact O-N 2.82Å; E54-Q57 WeakPolarHBondContact O-CG 3.34Å; E54-Q57 PolarHBondContact O-N 2.88Å; Q57-A136 WeakPolarHBondContact O-CA 3.27Å; Q57-C137 WeakPolarHBondContact CB-O 3.32Å; Q57-C137 PolarHBondContact O-N 2.94Å; Q57-I139 HydrophobicContact CG-CG1 4.4Å; Q57-P270 HydrophobicContact CG-CB 4.28Å
58I95.3Very high94.2Very high30 Ų3041.9 Ų41.915%0.15420%0.199CC..EExtended strand (participates in β ladder)trans-121.3122.1-176.6-57.4178.2000110.6N53 E56 A105 K134 S135N53-I58 PolarHBondContact N-O 3.05Å; N53-I58 PolarHBondContact O-N 2.85Å; N53-I58 VanDerWaalsContact O-N 3.1Å; E56-I58 HydrophobicContact CB-CD1 3.99Å; E56-I58 HydrophobicContact CB-CG1 4.02Å; I58-A105 HydrophobicContact CD1-CB 3.68Å; I58-A105 HydrophobicContact CG1-CB 3.7Å; I58-A105 HydrophobicContact CG2-CB 4.22Å; I58-K134 HydrophobicContact CG2-CB 3.81Å; I58-K134 HydrophobicContact CG2-CG 4.35Å; I58-S135 CarbonylContact C-O 3.59Å; I58-S135 WeakPolarHBondContact CA-O 3.33Å
59M95.8Very high94.3Very high0 Ų038.1 Ų38.10%018%0.181CC..EExtended strand (participates in β ladder)trans-97.3123.3168.2174.6-178.975.700110.1L49 V52 T61 S135 C137 C151 L153 F210L49-M59 HydrophobicContact CD1-CG 3.82Å; L49-M59 HydrophobicContact CD1-SD 4.04Å; V52-M59 HydrophobicContact CG2-CG 4.23Å; M59-T61 HydrophobicContact CE-CG2 4Å; M59-T61 HydrophobicContact CG-CG2 4.01Å; M59-T61 HydrophobicContact SD-CG2 4.08Å; M59-S135 WeakPolarHBondContact CE-OG 3.37Å; M59-S135 PolarHBondContact N-O 3.31Å; M59-S135 PolarHBondContact O-N 3.14Å; M59-S135 PolarHBondContact O-OG 3.38Å; M59-S135 VanDerWaalsContact O-OG 3.13Å; M59-C137 HydrophobicContact CB-CB 4.3Å; M59-C151 HydrophobicContact CB-CB 4.49Å; M59-C151 HydrophobicContact CE-CB 3.7Å; M59-C151 HydrophobicContact SD-CB 3.51Å; M59-C151 VanDerWaalsContact SD-CB 3.51Å; M59-L153 HydrophobicContact CE-CD2 3.9Å; M59-L153 HydrophobicContact CE-CG 4.18Å; M59-F210 HydrophobicContact CE-CB 4.21Å; M59-F210 HydrophobicContact CE-CD1 4.01Å; M59-F210 HydrophobicContact CE-CD2 4.05Å; M59-F210 HydrophobicContact CE-CE1 4.41Å; M59-F210 HydrophobicContact CE-CE2 4.46Å; M59-F210 HydrophobicContact CE-CG 3.83Å; M59-F210 HydrophobicContact SD-CB 4.16Å; M59-F210 HydrophobicContact SD-CD1 4.04Å; M59-F210 HydrophobicContact SD-CG 4.15Å
60T95Very high94.3Very high17 Ų1741.4 Ų41.410%0.10420%0.201CC..EExtended strand (participates in β ladder)trans-104.6119.3177.5-50.60000110.7I50 S51 I132 Y133 K134I50-T60 HydrophobicContact CB-CG2 4.16Å; I50-T60 HydrophobicContact CD1-CG2 4.21Å; I50-T60 HydrophobicContact CG2-CG2 4.39Å; I50-T60 PolarHBondContact N-O 3.27Å; S51-T60 PolarHBondContact N-O 3.35Å; S51-T60 PolarHBondContact O-N 3.32Å; S51-T60 WeakPolarHBondContact OG-CB 3.24Å; S51-T60 PolarHBondContact OG-OG1 2.88Å; T60-I132 HydrophobicContact CG2-CG2 3.79Å; T60-Y133 WeakPolarHBondContact CA-O 3.43Å; T60-K134 HydrophobicContact CG2-CG 4.16Å
61T94.9Very high94.4Very high0 Ų037.8 Ų37.80%018%0.183CC..EExtended strand (participates in β ladder)trans-126.4140.3-178.350.40000111.3L46 L49 M59 I132 Y133 F210L46-T61 HydrophobicContact CD1-CG2 4.2Å; L49-T61 HydrophobicContact CD1-CG2 3.75Å; M59-T61 HydrophobicContact CE-CG2 4Å; M59-T61 HydrophobicContact CG-CG2 4.01Å; M59-T61 HydrophobicContact SD-CG2 4.08Å; T61-I132 CarbonylContact O-C 3.56Å; T61-I132 WeakPolarHBondContact O-CA 3.29Å; T61-Y133 PolarHBondContact N-O 3.32Å; T61-Y133 PolarHBondContact O-N 3.18Å; T61-F210 HydrophobicContact CG2-CE1 3.95Å; T61-F210 HydrophobicContact CG2-CZ 4.49Å
62N94Very high94.4Very high41 Ų4140.4 Ų40.422%0.21919%0.186CC..EExtended strand (participates in β ladder)trans-97.4112.9166-177.99.5000108.2A47 Q48 I50A47-N62 PolarHBondContact N-O 3.19Å; Q48-N62 HydrophobicContact CB-CB 4.2Å; Q48-N62 PolarHBondContact N-O 2.74Å; Q48-N62 PolarHBondContact O-N 3.42Å; I50-N62 HydrophobicContact CD1-CB 4.01Å; I50-N62 HydrophobicContact CG1-CB 4.41Å
63V93.9Very high94.4Very high0 Ų041.5 Ų41.50%019%0.189CC..EExtended strand (participates in β ladder)trans-128151.6-177-56.10000111.2V44 S45 L46 A131 Y133 L153V44-V63 HydrophobicContact CG1-CB 4.09Å; V44-V63 HydrophobicContact CG1-CG1 4.04Å; S45-V63 CarbonylContact O-C 3.49Å; S45-V63 VanDerWaalsContact O-CA 3.32Å; S45-V63 WeakPolarHBondContact O-CA 3.31Å; L46-V63 HydrophobicContact CD1-CG1 3.84Å; V63-A131 HydrophobicContact CG2-CB 4.29Å; V63-A131 PolarHBondContact N-O 3.42Å; V63-A131 PolarHBondContact O-N 3.42Å; V63-Y133 HydrophobicContact CG2-CD2 3.44Å; V63-Y133 VanDerWaalsContact CG2-CD2 3.44Å; V63-Y133 HydrophobicContact CG2-CE2 3.61Å; V63-L153 HydrophobicContact CG1-CD1 4.47Å
64W93.8Very high94.4Very high101 Ų10139 Ų3938%0.38318%0.175SC..EExtended strand (participates in β ladder)trans-103.9120.6168.1-63.810.4000107.7S45 L128S45-W64 PolarHBondContact N-O 2.77Å; S45-W64 PolarHBondContact O-N 2.8Å; W64-L128 HydrophobicContact CB-CD1 3.91Å; W64-L128 HydrophobicContact CB-CG 4.44Å; W64-L128 HydrophobicContact CE3-CD2 3.95Å; W64-L128 HydrophobicContact CE3-CG 4.46Å; W64-L128 HydrophobicContact CZ3-CD2 4.44Å
65L93.1Very high94.6Very high0 Ų040.5 Ų40.50%019%0.188CC..EExtended strand (participates in β ladder)trans-99.193.3-173.8-169.165.4000109.6L42 V44 Q67 P129 F155L42-L65 HydrophobicContact CD1-CD1 3.59Å; L42-L65 HydrophobicContact CD1-CD2 4.28Å; L42-L65 HydrophobicContact CD1-CG 3.77Å; L42-L65 HydrophobicContact CD2-CD1 4.19Å; L42-L65 HydrophobicContact CG-CD1 3.96Å; V44-L65 HydrophobicContact CG2-CD1 3.76Å; L65-Q67 HydrophobicContact CG-CG 4.27Å; L65-Q67 PolarHBondContact O-N 2.97Å; L65-P129 PolarHBondContact N-O 2.88Å; L65-P129 WeakPolarHBondContact O-CD 3.41Å; L65-F155 HydrophobicContact CD1-CD1 4.43Å; L65-F155 HydrophobicContact CD1-CE1 4.07Å; L65-F155 HydrophobicContact CD1-CZ 4.12Å; L65-F155 HydrophobicContact CD2-CD1 4.43Å; L65-F155 HydrophobicContact CD2-CE1 4.19Å
66T94.3Very high94.7Very high18 Ų1834.2 Ų34.211%0.1117%0.165CC..EExtended strand (participates in β ladder)trans-72.9117.8176.8-45.80000109.5L42 Q43 L128L42-T66 CarbonylContact C-O 3.54Å; L42-T66 WeakPolarHBondContact CA-O 3.17Å; Q43-T66 PolarHBondContact N-O 2.92Å; Q43-T66 PolarHBondContact O-N 2.87Å; T66-L128 HydrophobicContact CG2-CD1 4.39Å; T66-L128 VanDerWaalsContact OG1-CD1 3.26Å; T66-L128 WeakPolarHBondContact OG1-CD1 3.32Å
67Q95.6Very high94.9Very high1 Ų131.1 Ų31.11%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-114.2129.3173.1-58.5-174.92000109.1L42 L65 W69 W127L42-Q67 HydrophobicContact CD1-CG 3.69Å; L65-Q67 HydrophobicContact CG-CG 4.27Å; L65-Q67 PolarHBondContact O-N 2.97Å; Q67-W69 HydrophobicContact CB-CE3 4.23Å; Q67-W69 HydrophobicContact CB-CZ3 3.85Å; Q67-W127 HydrophobicContact CB-CB 4.44Å; Q67-W127 HydrophobicContact CG-CE3 4.46Å; Q67-W127 PolarHBondContact N-O 2.56Å; Q67-W127 PolarHBondContact O-N 3.06Å
68H96.8Very high94.9Very high43 Ų4329.5 Ų29.520%0.19915%0.146CC..EExtended strand (participates in β ladder)trans-131.5123.3177.1170-71.8000111.5K41 I125 N126K41-H68 HydrophobicContact CB-CB 4.3Å; K41-H68 PolarHBondContact N-O 2.85Å; K41-H68 PolarHBondContact O-N 3.37Å; H68-I125 VanDerWaalsContact CA-O 3.31Å; H68-I125 WeakPolarHBondContact CA-O 3.35Å; H68-N126 PolarHBondContact CD2-OD1 3.26Å
69W96.6Very high94.8Very high1 Ų133.2 Ų33.20%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-141179.3173.868.199.8000110.2V38 V40 Q67 W95 L96 P97 V117 I125 W127V38-W69 HydrophobicContact CG1-CB 4.47Å; V40-W69 HydrophobicContact CG2-CB 4.12Å; Q67-W69 HydrophobicContact CB-CE3 4.23Å; Q67-W69 HydrophobicContact CB-CZ3 3.85Å; W69-W95 AromaticContact CD1-CZ3 3.8Å; W69-W95 HydrophobicContact CG-CZ3 4.31Å; W69-W95 WeakPolarHBondContact CZ2-O 3.39Å; W69-W95 AromaticContact NE1-CE3 3.71Å; W69-W95 AromaticContact NE1-CZ3 3.81Å; W69-L96 HydrophobicContact CH2-CD2 3.76Å; W69-L96 HydrophobicContact CZ2-CD2 3.98Å; W69-P97 HydrophobicContact CE3-CG 4.24Å; W69-P97 HydrophobicContact CZ3-CG 4.38Å; W69-V117 HydrophobicContact CH2-CG1 4.38Å; W69-I125 HydrophobicContact CD2-CB 4.15Å; W69-I125 HydrophobicContact CD2-CG2 4.45Å; W69-I125 HydrophobicContact CH2-CG2 3.79Å; W69-I125 HydrophobicContact CZ2-CB 4.07Å; W69-I125 HydrophobicContact CZ2-CD1 4.25Å; W69-I125 HydrophobicContact CZ2-CG2 3.59Å; W69-I125 HydrophobicContact CZ3-CG2 4.3Å; W69-I125 PolarHBondContact N-O 3.46Å; W69-I125 PolarHBondContact O-N 3.3Å; W69-W127 HydrophobicContact CH2-CB 3.81Å; W69-W127 HydrophobicContact CH2-CE3 4.42Å; W69-W127 HydrophobicContact CZ3-CB 3.77Å
70V96.6Very high94.5Very high72 Ų7240.1 Ų40.144%0.43621%0.205SC..EExtended strand (participates in β ladder)trans-123.1130.5177.2-176.40000108.7G123V70-G123 CarbonylContact C-O 3.57Å; V70-G123 WeakPolarHBondContact CA-O 3.49Å
71D96.4Very high94.3Very high0 Ų040.2 Ų40.20%020%0.204CC..EExtended strand (participates in β ladder)trans-116.4105.3170.5-170.8-22.1000109.2Y24 P30 R73 L74 G123 I125Y24-D71 WeakPolarHBondContact CE2-OD2 3.44Å; Y24-D71 PolarHBondContact OH-OD2 3.41Å; P30-D71 HydrophobicContact CB-CB 3.89Å; P30-D71 VanDerWaalsContact CB-CG 3.41Å; P30-D71 WeakPolarHBondContact CB-OD1 3.27Å; P30-D71 HydrophobicContact CG-CB 4.24Å; D71-R73 PolarHBondContact O-N 3.47Å; D71-R73 VanDerWaalsContact O-N 3.13Å; D71-R73 VanDerWaalsContact OD1-CB 3.24Å; D71-R73 WeakPolarHBondContact OD1-CB 3.39Å; D71-R73 WeakPolarHBondContact OD1-CG 3.48Å; D71-R73 IonicContact OD1-CZ 3.95Å; D71-R73 PolarHBondContact OD1-N 3.18Å; D71-R73 IonicContact OD1-NE 3.7Å; D71-R73 PolarHBondContact OD1-NE 3.29Å; D71-R73 IonicContact OD1-NH2 3.79Å; D71-R73 IonicContact OD2-CZ 3.68Å; D71-R73 IonicContact OD2-NE 3.48Å; D71-R73 PolarHBondContact OD2-NE 3.48Å; D71-R73 IonicContact OD2-NH2 2.64Å; D71-R73 PolarHBondContact OD2-NH2 3.13Å; D71-L74 HydrophobicContact CB-CB 4.39Å; D71-L74 HydrophobicContact CB-CD1 4.22Å; D71-L74 HydrophobicContact CB-CG 4.45Å; D71-L74 PolarHBondContact O-N 3.01Å; D71-G123 PolarHBondContact N-O 2.89Å; D71-G123 WeakPolarHBondContact O-CA 3.29Å; D71-I125 HydrophobicContact CB-CD1 3.8Å
72Y94.1Very high93.9Very high107 Ų10745.8 Ų45.842%0.4223%0.23SC..EExtended strand (participates in β ladder)trans-59.3-26.7-177.471.9-89.3000113P30 I32 L74 S75P30-Y72 HydrophobicContact CB-CD1 4.48Å; I32-Y72 HydrophobicContact CG1-CD1 3.85Å; I32-Y72 HydrophobicContact CG1-CE1 3.95Å; I32-Y72 HydrophobicContact CG1-CG 4.16Å; Y72-L74 VanDerWaalsContact C-N 3.25Å; Y72-L74 PolarHBondContact O-N 3.35Å; Y72-S75 PolarHBondContact O-N 2.62Å; Y72-S75 PolarHBondContact O-OG 3.07Å
73R94.4Very high93.7Very high32 Ų3245.9 Ų45.912%0.12124%0.24CC..EExtended strand (participates in β ladder)trans-72.3-21.2-179.8-53.1169.4-66.5-173.51.9112.4Y24 N25 I28 D71Y24-R73 HydrophobicContact CD2-CB 4.12Å; Y24-R73 HydrophobicContact CE2-CB 4.16Å; Y24-R73 PolarHBondContact OH-NH2 3.34Å; N25-R73 PolarHBondContact O-NH1 3.26Å; I28-R73 PolarHBondContact O-NH1 3.19Å; I28-R73 PolarHBondContact O-NH2 3.06Å; D71-R73 PolarHBondContact O-N 3.47Å; D71-R73 VanDerWaalsContact O-N 3.13Å; D71-R73 VanDerWaalsContact OD1-CB 3.24Å; D71-R73 WeakPolarHBondContact OD1-CB 3.39Å; D71-R73 WeakPolarHBondContact OD1-CG 3.48Å; D71-R73 IonicContact OD1-CZ 3.95Å; D71-R73 PolarHBondContact OD1-N 3.18Å; D71-R73 IonicContact OD1-NE 3.7Å; D71-R73 PolarHBondContact OD1-NE 3.29Å; D71-R73 IonicContact OD1-NH2 3.79Å; D71-R73 IonicContact OD2-CZ 3.68Å; D71-R73 IonicContact OD2-NE 3.48Å; D71-R73 PolarHBondContact OD2-NE 3.48Å; D71-R73 IonicContact OD2-NH2 2.64Å; D71-R73 PolarHBondContact OD2-NH2 3.13Å
74L94.8Very high93.6Very high0 Ų046.6 Ų46.60%024%0.244CC..EExtended strand (participates in β ladder)trans-101.222.4-179.8-65.3173.6000112.6L18 L19 Y24 D71 Y72 W76 V94 V119 I125L18-L74 HydrophobicContact CB-CD2 4.09Å; L18-L74 HydrophobicContact CD2-CD2 4.48Å; L19-L74 HydrophobicContact CD2-CD2 4.23Å; Y24-L74 HydrophobicContact CD2-CD2 3.83Å; Y24-L74 HydrophobicContact CD2-CG 4.09Å; Y24-L74 HydrophobicContact CE2-CD1 3.73Å; Y24-L74 HydrophobicContact CE2-CD2 3.77Å; Y24-L74 HydrophobicContact CE2-CG 3.56Å; D71-L74 HydrophobicContact CB-CB 4.39Å; D71-L74 HydrophobicContact CB-CD1 4.22Å; D71-L74 HydrophobicContact CB-CG 4.45Å; D71-L74 PolarHBondContact O-N 3.01Å; Y72-L74 VanDerWaalsContact C-N 3.25Å; Y72-L74 PolarHBondContact O-N 3.35Å; L74-W76 VanDerWaalsContact O-CE3 3.28Å; L74-W76 VanDerWaalsContact O-CZ3 3.32Å; L74-W76 WeakPolarHBondContact O-CZ3 3.19Å; L74-V94 HydrophobicContact CD1-CB 4.41Å; L74-V94 HydrophobicContact CD1-CG1 3.82Å; L74-V119 HydrophobicContact CB-CG1 4.07Å; L74-I125 HydrophobicContact CD1-CD1 3.76Å
75S94.5Very high93.6Very high52 Ų5246.2 Ų46.236%0.36425%0.249SC..EExtended strand (participates in β ladder)trans-87.8149.8170.466.40000112.1Y72 F121Y72-S75 PolarHBondContact O-N 2.62Å; Y72-S75 PolarHBondContact O-OG 3.07Å; S75-F121 VanDerWaalsContact CA-O 3.29Å; S75-F121 WeakPolarHBondContact CA-O 3.37Å
76W94.3Very high93.7Very high18 Ų1851.6 Ų51.67%0.06827%0.273CS..  trans-149.3169.4173.168.893.1000111.4L14 W17 L18 L74 P78 I84 I87 V119 L120 F121L14-W76 HydrophobicContact CD1-CB 3.86Å; L14-W76 HydrophobicContact CD1-CD2 4.03Å; L14-W76 HydrophobicContact CD1-CG 3.69Å; L14-W76 HydrophobicContact CD2-CD2 3.93Å; L14-W76 HydrophobicContact CD2-CG 4.15Å; L14-W76 HydrophobicContact CD2-CZ2 4.14Å; W17-W76 HydrophobicContact CZ3-CB 4.07Å; L18-W76 HydrophobicContact CD1-CE3 3.85Å; L18-W76 HydrophobicContact CD1-CZ3 4.14Å; L18-W76 HydrophobicContact CD2-CE3 4.35Å; L74-W76 VanDerWaalsContact O-CE3 3.28Å; L74-W76 VanDerWaalsContact O-CZ3 3.32Å; L74-W76 WeakPolarHBondContact O-CZ3 3.19Å; W76-P78 WeakPolarHBondContact O-CD 3.17Å; W76-I84 HydrophobicContact CZ2-CG2 4.28Å; W76-I84 PolarHBondContact NE1-O 3.06Å; W76-I87 HydrophobicContact CH2-CD1 4.06Å; W76-I87 HydrophobicContact CH2-CG1 3.78Å; W76-I87 HydrophobicContact CH2-CG2 4.31Å; W76-I87 HydrophobicContact CZ2-CG2 4.26Å; W76-I87 HydrophobicContact CZ3-CD1 4Å; W76-I87 HydrophobicContact CZ3-CG1 4.15Å; W76-V119 HydrophobicContact CH2-CG1 4.34Å; W76-V119 HydrophobicContact CZ3-CB 4.49Å; W76-V119 HydrophobicContact CZ3-CG1 3.85Å; W76-L120 VanDerWaalsContact CH2-C 3.45Å; W76-F121 HydrophobicContact CD2-CB 4.17Å; W76-F121 HydrophobicContact CH2-CB 4.42Å; W76-F121 HydrophobicContact CZ2-CB 3.83Å; W76-F121 PolarHBondContact N-O 2.97Å
77D94.9Very high93.7Very high65 Ų6551.2 Ų51.235%0.34827%0.27SS..  trans-96.6111.7174.3171.76.8000109.2S79 K80D77-S79 PolarHBondContact O-N 2.59Å; D77-S79 VanDerWaalsContact O-N 3.12Å; D77-S79 VanDerWaalsContact OD1-CB 3.25Å; D77-S79 WeakPolarHBondContact OD1-CB 3.29Å; D77-S79 PolarHBondContact OD1-N 3.1Å; D77-S79 PolarHBondContact OD1-OG 3.06Å; D77-K80 HydrophobicContact CB-CD 4.13Å; D77-K80 HydrophobicContact CB-CG 4.37Å; D77-K80 PolarHBondContact O-N 3.03Å; D77-K80 VanDerWaalsContact O-N 3.11Å; D77-K80 WeakPolarHBondContact OD2-CE 3.49Å; D77-K80 IonicContact OD2-NZ 3.7Å
78P93.8Very high93.6Very high21 Ų2158.4 Ų58.414%0.13630%0.297CS..G310 helixtrans-54.9-30.1179.5-26.935.7000113.2W76 K80 Y81 G83 F121W76-P78 WeakPolarHBondContact O-CD 3.17Å; P78-K80 PolarHBondContact O-N 2.99Å; P78-K80 VanDerWaalsContact O-N 3.17Å; P78-Y81 CarbonylContact O-C 3.48Å; P78-Y81 PolarHBondContact O-N 3.01Å; P78-G83 WeakPolarHBondContact O-CA 3.49Å; P78-G83 PolarHBondContact O-N 3.48Å; P78-F121 HydrophobicContact CG-CB 3.65Å; P78-F121 HydrophobicContact CG-CD1 4.27Å; P78-F121 HydrophobicContact CG-CD2 3.89Å; P78-F121 HydrophobicContact CG-CG 3.67Å
79S92.4Very high93.5Very high109 Ų10956.3 Ų56.376%0.76229%0.288SS*.G310 helixtrans-65.7-20.6-177.9-57.70000113.2D77D77-S79 PolarHBondContact O-N 2.59Å; D77-S79 VanDerWaalsContact O-N 3.12Å; D77-S79 VanDerWaalsContact OD1-CB 3.25Å; D77-S79 WeakPolarHBondContact OD1-CB 3.29Å; D77-S79 PolarHBondContact OD1-N 3.1Å; D77-S79 PolarHBondContact OD1-OG 3.06Å
80K90.4Very high93.5Very high144 Ų14458.7 Ų58.763%0.62630%0.303SS*.G310 helixtrans-89.1-11.8176.6-66174.6-173.2162.30113.7D77 P78D77-K80 HydrophobicContact CB-CD 4.13Å; D77-K80 HydrophobicContact CB-CG 4.37Å; D77-K80 PolarHBondContact O-N 3.03Å; D77-K80 VanDerWaalsContact O-N 3.11Å; D77-K80 WeakPolarHBondContact OD2-CE 3.49Å; D77-K80 IonicContact OD2-NZ 3.7Å; P78-K80 PolarHBondContact O-N 2.99Å; P78-K80 VanDerWaalsContact O-N 3.17Å
81Y89.9Confident93.3Very high20 Ų2055.4 Ų55.48%0.07828%0.283CS..THydrogen-bonded Turntrans-134.252.5-173.3-61.8-87.5000110.1R13 L14 W17 P78 G83 I84R13-Y81 HydrophobicContact CG-CE1 4.34Å; L14-Y81 HydrophobicContact CB-CD1 3.64Å; L14-Y81 HydrophobicContact CB-CE1 3.81Å; L14-Y81 HydrophobicContact CB-CG 4.22Å; L14-Y81 HydrophobicContact CD1-CD1 4.09Å; L14-Y81 HydrophobicContact CD1-CD2 3.95Å; L14-Y81 HydrophobicContact CD1-CE1 3.97Å; L14-Y81 HydrophobicContact CD1-CE2 3.84Å; L14-Y81 HydrophobicContact CD1-CG 4.07Å; L14-Y81 HydrophobicContact CD2-CG 4.47Å; L14-Y81 HydrophobicContact CG-CD1 4.33Å; L14-Y81 HydrophobicContact CG-CE1 4.48Å; L14-Y81 HydrophobicContact CG-CG 4.48Å; W17-Y81 VanDerWaalsContact CD2-OH 3.27Å; P78-Y81 CarbonylContact O-C 3.48Å; P78-Y81 PolarHBondContact O-N 3.01Å; Y81-G83 PolarHBondContact O-N 3.02Å; Y81-I84 WeakPolarHBondContact O-CB 3.38Å; Y81-I84 VanDerWaalsContact O-CD1 3.3Å; Y81-I84 WeakPolarHBondContact O-CD1 3.43Å; Y81-I84 WeakPolarHBondContact O-CG1 3.4Å; Y81-I84 PolarHBondContact O-N 2.67Å
82E87.6Confident93.1Very high117 Ų11764.4 Ų64.455%0.54732%0.317SS..THydrogen-bonded Turntrans53.224.5170.9-60.6-174.8139.900115.8S10S10-E82 VanDerWaalsContact CB-OE2 3.29Å; S10-E82 WeakPolarHBondContact CB-OE2 2.98Å; S10-E82 WeakPolarHBondContact OG-CG 3.49Å; S10-E82 PolarHBondContact OG-OE2 2.74Å
83G90.2Very high93Very high43 Ų4364.5 Ų64.544%0.44332%0.321SS..THydrogen-bonded Turntrans81.522.6-17900000114.7P78 Y81 D85P78-G83 WeakPolarHBondContact O-CA 3.49Å; P78-G83 PolarHBondContact O-N 3.48Å; Y81-G83 PolarHBondContact O-N 3.02Å; G83-D85 PolarHBondContact O-N 2.97Å; G83-D85 VanDerWaalsContact O-N 3.09Å
84I92Very high93Very high15 Ų1563.2 Ų63.28%0.07732%0.317CS..  trans-68.3105.9175.5-66.3160.4000109.8E11 L14 W76 Y81 I87E11-I84 HydrophobicContact CB-CD1 4.41Å; E11-I84 HydrophobicContact CG-CD1 3.57Å; E11-I84 HydrophobicContact CG-CG1 4.31Å; L14-I84 HydrophobicContact CD2-CB 4.49Å; L14-I84 HydrophobicContact CD2-CG2 4.01Å; W76-I84 HydrophobicContact CZ2-CG2 4.28Å; W76-I84 PolarHBondContact NE1-O 3.06Å; Y81-I84 WeakPolarHBondContact O-CB 3.38Å; Y81-I84 VanDerWaalsContact O-CD1 3.3Å; Y81-I84 WeakPolarHBondContact O-CD1 3.43Å; Y81-I84 WeakPolarHBondContact O-CG1 3.4Å; Y81-I84 PolarHBondContact O-N 2.67Å; I84-I87 HydrophobicContact CG2-CG2 3.6Å
85D92.9Very high93.1Very high92 Ų9263.4 Ų63.449%0.49232%0.318SS..  trans-85.5-22.6178-68.6-31.3000114G83 L120 F121G83-D85 PolarHBondContact O-N 2.97Å; G83-D85 VanDerWaalsContact O-N 3.09Å; D85-L120 CarbonylContact O-C 3.55Å; D85-L120 WeakPolarHBondContact O-CA 3.38Å; D85-F121 HydrophobicContact CB-CD1 4.24Å; D85-F121 PolarHBondContact O-N 2.98Å
86K94.4Very high93Very high114 Ų11462.8 Ų62.850%0.49631%0.31SS..EExtended strand (participates in β ladder)trans-150.8145.2-176.969.3-168.8175-165.80112.4I118 V119 L120K86-I118 HydrophobicContact CB-CG2 4.48Å; K86-V119 CarbonylContact C-O 3.34Å; K86-V119 WeakPolarHBondContact CA-O 3.33Å; K86-L120 HydrophobicContact CB-CD2 4.12Å
87I94.6Very high93Very high10 Ų1062 Ų625%0.05131%0.307CS..EExtended strand (participates in β ladder)trans-129.8163.6175.162.2-180000110.7L14 L18 W76 I84 I89 V119L14-I87 HydrophobicContact CD2-CD1 4.5Å; L14-I87 HydrophobicContact CD2-CG2 3.82Å; L18-I87 HydrophobicContact CD1-CD1 3.34Å; W76-I87 HydrophobicContact CH2-CD1 4.06Å; W76-I87 HydrophobicContact CH2-CG1 3.78Å; W76-I87 HydrophobicContact CH2-CG2 4.31Å; W76-I87 HydrophobicContact CZ2-CG2 4.26Å; W76-I87 HydrophobicContact CZ3-CD1 4Å; W76-I87 HydrophobicContact CZ3-CG1 4.15Å; I84-I87 HydrophobicContact CG2-CG2 3.6Å; I87-I89 HydrophobicContact CD1-CD1 3.88Å; I87-I89 HydrophobicContact CD1-CG1 4.11Å; I87-I89 HydrophobicContact CG1-CD1 4.38Å; I87-I89 HydrophobicContact CG1-CG1 4.2Å; I87-V119 HydrophobicContact CG1-CB 4Å; I87-V119 PolarHBondContact N-O 3.15Å; I87-V119 PolarHBondContact O-N 3.39Å
88R95Very high92.8Very high151 Ų15160.9 Ų60.957%0.5730%0.301SS*.EExtended strand (participates in β ladder)trans-117120.9176-67.3179.6-175.683.5-8.1109.9N116 V117 I118R88-N116 HydrophobicContact CB-CB 4.46Å; R88-V117 WeakPolarHBondContact CA-O 3.26Å; R88-I118 HydrophobicContact CG-CG1 4.34Å
89I94.8Very high92.8Very high0 Ų060.3 Ų60.30%030%0.297CS..EExtended strand (participates in β ladder)trans-117136.7-179.1-49.2-174.4000108.6M15 L19 I87 S91 H93 V94 N116 V117 V119M15-I89 HydrophobicContact CE-CB 4.27Å; M15-I89 HydrophobicContact CE-CG1 4.03Å; M15-I89 HydrophobicContact CE-CG2 4.04Å; M15-I89 HydrophobicContact SD-CD1 4.13Å; M15-I89 HydrophobicContact SD-CG1 3.93Å; M15-I89 HydrophobicContact SD-CG2 4.43Å; L19-I89 HydrophobicContact CD1-CD1 4.49Å; L19-I89 HydrophobicContact CD1-CG2 3.83Å; L19-I89 HydrophobicContact CD2-CD1 4.4Å; I87-I89 HydrophobicContact CD1-CD1 3.88Å; I87-I89 HydrophobicContact CD1-CG1 4.11Å; I87-I89 HydrophobicContact CG1-CD1 4.38Å; I87-I89 HydrophobicContact CG1-CG1 4.2Å; I89-S91 PolarHBondContact O-N 2.84Å; I89-H93 HydrophobicContact CG2-CB 4.19Å; I89-V94 HydrophobicContact CB-CG1 4.26Å; I89-V94 HydrophobicContact CD1-CG1 4.19Å; I89-V94 HydrophobicContact CG2-CG1 3.91Å; I89-N116 CarbonylContact O-C 3.57Å; I89-N116 VanDerWaalsContact O-CA 3.28Å; I89-N116 WeakPolarHBondContact O-CA 3.3Å; I89-N116 WeakPolarHBondContact O-CB 3.5Å; I89-V117 HydrophobicContact CB-CG2 3.92Å; I89-V117 PolarHBondContact N-O 3.18Å; I89-V117 WeakPolarHBondContact O-CG2 3.36Å; I89-V117 PolarHBondContact O-N 2.92Å; I89-V119 HydrophobicContact CD1-CG2 3.92Å; I89-V119 HydrophobicContact CG1-CG2 4.15Å
90P94.9Very high92.8Very high51 Ų5155.7 Ų55.733%0.33126%0.264SS..EExtended strand (participates in β ladder)trans-60.9126.9170.8-19.131.3000110.1R92 H93 N116P90-R92 PolarHBondContact O-N 2.99Å; P90-H93 PolarHBondContact O-N 3.42Å; P90-N116 WeakPolarHBondContact CA-OD1 3.36Å
91S93.3Very high93Very high2 Ų248.9 Ų48.91%0.01423%0.234CC..G310 helixtrans-50.3-34.1-172.443.10000114I89 H93 V94 T115I89-S91 PolarHBondContact O-N 2.84Å; S91-H93 PolarHBondContact O-N 3.04Å; S91-H93 VanDerWaalsContact O-N 3.11Å; S91-V94 VanDerWaalsContact O-CG2 3.24Å; S91-V94 WeakPolarHBondContact O-CG2 3.46Å; S91-V94 PolarHBondContact O-N 3.24Å; S91-V94 VanDerWaalsContact O-N 3.17Å; S91-T115 WeakPolarHBondContact CB-O 3.35Å; S91-T115 PolarHBondContact OG-O 3.37Å
92R91.5Very high93Very high189 Ų18952 Ų5271%0.71325%0.247SC*.G310 helixtrans-61.1-15.5177-63-176.3175.4-167.2-3.9116.1P90P90-R92 PolarHBondContact O-N 2.99Å
93H92.8Very high93.3Very high109 Ų10947.8 Ų47.851%0.50523%0.228SC..G310 helixtrans-99.7-6.6179.1-61.395.7000113.6L19 Y24 I89 P90 S91L19-H93 HydrophobicContact CD1-CB 4.25Å; Y24-H93 WeakPolarHBondContact CE1-O 3.42Å; I89-H93 HydrophobicContact CG2-CB 4.19Å; P90-H93 PolarHBondContact O-N 3.42Å; S91-H93 PolarHBondContact O-N 3.04Å; S91-H93 VanDerWaalsContact O-N 3.11Å
94V94.9Very high93.4Very high5 Ų546.7 Ų46.73%0.0321%0.212CC..SBendtrans-109.1159.2175.3-62.10000110.4L74 I89 S91 L96 V117L74-V94 HydrophobicContact CD1-CB 4.41Å; L74-V94 HydrophobicContact CD1-CG1 3.82Å; I89-V94 HydrophobicContact CB-CG1 4.26Å; I89-V94 HydrophobicContact CD1-CG1 4.19Å; I89-V94 HydrophobicContact CG2-CG1 3.91Å; S91-V94 VanDerWaalsContact O-CG2 3.24Å; S91-V94 WeakPolarHBondContact O-CG2 3.46Å; S91-V94 PolarHBondContact O-N 3.24Å; S91-V94 VanDerWaalsContact O-N 3.17Å; V94-L96 HydrophobicContact CG2-CD2 3.83Å; V94-L96 HydrophobicContact CG2-CG 4.37Å; V94-V117 HydrophobicContact CG1-CG2 4.24Å; V94-V117 HydrophobicContact CG2-CG1 4Å; V94-V117 HydrophobicContact CG2-CG2 3.85Å
95W95.4Very high93.1Very high5 Ų548 Ų482%0.01923%0.226CC..  trans-64.9135.3164177.487.5000109.4Y24 P26 R29 P30 V38 W69 P97 Y160 I165Y24-W95 PolarHBondContact OH-N 3.2Å; P26-W95 WeakPolarHBondContact O-CA 3.37Å; P26-W95 WeakPolarHBondContact O-CB 3.43Å; P26-W95 VanDerWaalsContact O-CD1 3.26Å; R29-W95 HydrophobicContact CB-CZ2 3.75Å; P30-W95 HydrophobicContact CG-CD2 4.27Å; P30-W95 HydrophobicContact CG-CE3 3.73Å; P30-W95 HydrophobicContact CG-CZ3 3.91Å; V38-W95 HydrophobicContact CB-CH2 4.37Å; V38-W95 HydrophobicContact CG1-CH2 3.93Å; V38-W95 HydrophobicContact CG1-CZ3 4.02Å; W69-W95 AromaticContact CD1-CZ3 3.8Å; W69-W95 HydrophobicContact CG-CZ3 4.31Å; W69-W95 WeakPolarHBondContact CZ2-O 3.39Å; W69-W95 AromaticContact NE1-CE3 3.71Å; W69-W95 AromaticContact NE1-CZ3 3.81Å; W95-P97 HydrophobicContact CH2-CB 3.95Å; W95-P97 HydrophobicContact CZ3-CB 4.34Å; W95-P97 HydrophobicContact CZ3-CG 4.45Å; W95-Y160 AromaticContact CZ2-CE2 3.92Å; W95-Y160 HydrophobicContact CZ2-CE2 3.92Å; W95-Y160 AromaticContact NE1-CE2 4Å; W95-Y160 AromaticContact NE1-CZ 3.72Å; W95-Y160 PolarHBondContact NE1-OH 3.35Å; W95-I165 HydrophobicContact CH2-CD1 3.84Å; W95-I165 HydrophobicContact CZ2-CD1 3.84Å
96L94.2Very high92.5Very high38 Ų3847.3 Ų47.320%0.19922%0.222CC..  trans-126.1140.4178-59.4169.1000108.8W69 V94 V117 W127W69-L96 HydrophobicContact CH2-CD2 3.76Å; W69-L96 HydrophobicContact CZ2-CD2 3.98Å; V94-L96 HydrophobicContact CG2-CD2 3.83Å; V94-L96 HydrophobicContact CG2-CG 4.37Å; L96-V117 HydrophobicContact CD2-CG1 4.11Å; L96-W127 HydrophobicContact CD1-CH2 4.35Å; L96-W127 HydrophobicContact CD2-CD2 4.26Å; L96-W127 HydrophobicContact CD2-CE3 4.1Å; L96-W127 HydrophobicContact CD2-CZ3 4.37Å
97P93.8Very high91.5Very high2 Ų244.4 Ų44.41%0.01322%0.224CC..  trans-72.2133.3164.831.8-32.2000109.5V40 W69 W95 I99 I165V40-P97 HydrophobicContact CG1-CG 3.95Å; V40-P97 HydrophobicContact CG2-CB 4Å; V40-P97 HydrophobicContact CG2-CG 4.04Å; W69-P97 HydrophobicContact CE3-CG 4.24Å; W69-P97 HydrophobicContact CZ3-CG 4.38Å; W95-P97 HydrophobicContact CH2-CB 3.95Å; W95-P97 HydrophobicContact CZ3-CB 4.34Å; W95-P97 HydrophobicContact CZ3-CG 4.45Å; P97-I99 HydrophobicContact CB-CD1 4.44Å; P97-I99 HydrophobicContact CB-CG1 4.2Å; P97-I99 HydrophobicContact CG-CD1 4.38Å; P97-I99 PolarHBondContact O-N 3.48Å; P97-I165 HydrophobicContact CB-CD1 4.15Å
98D90.8Very high90.8Very high42 Ų4248.1 Ų48.123%0.22525%0.247CC..  trans-85.955.1-174.664.8-22.3000112.4V100 S157 W158 T159 Y160D98-V100 PolarHBondContact O-N 3.22Å; D98-S157 WeakPolarHBondContact O-CA 3.34Å; D98-S157 WeakPolarHBondContact OD1-CB 3.15Å; D98-W158 PolarHBondContact O-N 3.42Å; D98-W158 VanDerWaalsContact O-N 3.14Å; D98-W158 PolarHBondContact OD1-N 2.85Å; D98-W158 WeakPolarHBondContact OD2-CB 3.4Å; D98-W158 PolarHBondContact OD2-N 3.09Å; D98-T159 VanDerWaalsContact CG-OG1 3.28Å; D98-T159 VanDerWaalsContact OD2-CB 3.25Å; D98-T159 WeakPolarHBondContact OD2-CB 3.3Å; D98-T159 VanDerWaalsContact OD2-CG2 3.3Å; D98-T159 WeakPolarHBondContact OD2-CG2 3.36Å; D98-T159 PolarHBondContact OD2-N 3Å; D98-T159 PolarHBondContact OD2-OG1 3.33Å; D98-Y160 WeakPolarHBondContact OD1-CD2 3.42Å
99I92.9Very high89.7Confident8 Ų845.1 Ų45.14%0.04124%0.236CC..EExtended strand (participates in β ladder)trans-71.9112.8-179.4-57.8179.2000109.5V40 L42 P97 F155 L167V40-I99 HydrophobicContact CG1-CD1 3.84Å; L42-I99 HydrophobicContact CD1-CD1 4Å; L42-I99 HydrophobicContact CD1-CG2 4.49Å; L42-I99 HydrophobicContact CD2-CG2 4.31Å; P97-I99 HydrophobicContact CB-CD1 4.44Å; P97-I99 HydrophobicContact CB-CG1 4.2Å; P97-I99 HydrophobicContact CG-CD1 4.38Å; P97-I99 PolarHBondContact O-N 3.48Å; I99-F155 HydrophobicContact CG2-CB 3.87Å; I99-F155 HydrophobicContact CG2-CD1 4.11Å; I99-F155 HydrophobicContact CG2-CG 4.41Å; I99-L167 HydrophobicContact CD1-CD2 3.82Å; I99-L167 HydrophobicContact CG1-CD2 4.26Å
100V92.8Very high88.6Confident13 Ų1352 Ų528%0.07927%0.268CS..EExtended strand (participates in β ladder)trans-118.3159.9-179.6-61.50000111.7D98 Y102 Y109 F155 R156 W158D98-V100 PolarHBondContact O-N 3.22Å; V100-Y102 HydrophobicContact CG2-CD2 3.91Å; V100-Y102 HydrophobicContact CG2-CE2 3.73Å; V100-Y109 WeakPolarHBondContact CG1-O 3.49Å; V100-F155 WeakPolarHBondContact O-CA 3.48Å; V100-R156 PolarHBondContact N-O 3.14Å; V100-R156 PolarHBondContact O-N 3.18Å; V100-W158 HydrophobicContact CG2-CB 3.99Å; V100-W158 HydrophobicContact CG2-CE3 3.94Å
101L93.6Very high87.6Confident0 Ų050.1 Ų50.10%026%0.256CS..EExtended strand (participates in β ladder)trans-81.2111.8170.2-178.874.6000109.7N103 N104 Y109 Y133 L153 K154 F155L101-N103 WeakPolarHBondContact CD1-OD1 3.41Å; L101-N104 HydrophobicContact CD2-CB 4.19Å; L101-N104 HydrophobicContact CG-CB 4.42Å; L101-N104 WeakPolarHBondContact O-CB 3.43Å; L101-Y109 VanDerWaalsContact O-CD1 3.29Å; L101-Y109 WeakPolarHBondContact O-CD1 3.43Å; L101-Y109 WeakPolarHBondContact O-CE1 3.43Å; L101-Y133 HydrophobicContact CB-CD1 3.94Å; L101-Y133 HydrophobicContact CB-CE1 4.02Å; L101-Y133 HydrophobicContact CD2-CD1 3.91Å; L101-Y133 HydrophobicContact CD2-CG 4.11Å; L101-L153 HydrophobicContact CD1-CB 3.97Å; L101-L153 HydrophobicContact CD1-CD2 3.93Å; L101-L153 HydrophobicContact CD2-CD2 4.49Å; L101-K154 CarbonylContact C-O 3.54Å; L101-K154 WeakPolarHBondContact CA-O 3.35Å; L101-F155 HydrophobicContact CD1-CE1 4.49Å
102Y91.1Very high86.6Confident85 Ų8554.4 Ų54.433%0.33328%0.282SS..THydrogen-bonded Turntrans-74.1-36.9-177.8-95.4-104.3000113.4V100 N104 K154 R156 S157 W158V100-Y102 HydrophobicContact CG2-CD2 3.91Å; V100-Y102 HydrophobicContact CG2-CE2 3.73Å; Y102-N104 PolarHBondContact O-N 2.83Å; Y102-N104 VanDerWaalsContact O-N 3.17Å; Y102-K154 PolarHBondContact N-O 3.29Å; Y102-R156 HydrophobicContact CD2-CB 3.69Å; Y102-R156 HydrophobicContact CD2-CG 4.3Å; Y102-R156 HydrophobicContact CE2-CB 3.51Å; Y102-R156 HydrophobicContact CE2-CG 3.64Å; Y102-S157 PolarHBondContact OH-O 3.26Å; Y102-W158 HydrophobicContact CE1-CE3 4.07Å; Y102-W158 AromaticContact CE1-CZ3 3.98Å; Y102-W158 HydrophobicContact CE1-CZ3 3.98Å; Y102-W158 HydrophobicContact CE2-CE3 4.14Å; Y102-W158 AromaticContact CZ-CE3 3.71Å
103N93.4Very high86.2Confident29 Ų2949.1 Ų49.116%0.15527%0.271CS..THydrogen-bonded Turntrans-88.142.5176.869.7-55.4000112.3L101 S135 A136 T152 K154L101-N103 WeakPolarHBondContact CD1-OD1 3.41Å; N103-S135 CarbonylContact O-C 3.58Å; N103-S135 WeakPolarHBondContact O-CA 3.46Å; N103-A136 PolarHBondContact ND2-O 2.88Å; N103-A136 VanDerWaalsContact ND2-O 3.15Å; N103-A136 PolarHBondContact O-N 3.22Å; N103-T152 PolarHBondContact ND2-O 2.87Å; N103-K154 WeakPolarHBondContact OD1-CB 3.28Å; N103-K154 PolarHBondContact OD1-N 3Å
104N91.6Very high85.8Confident20 Ų2047.1 Ų47.111%0.10726%0.261CS..BIsolated β-bridgetrans-73.5142.8177.1-173.66.6000111.6L101 Y102 D106 T108 Y109 K134L101-N104 HydrophobicContact CD2-CB 4.19Å; L101-N104 HydrophobicContact CG-CB 4.42Å; L101-N104 WeakPolarHBondContact O-CB 3.43Å; Y102-N104 PolarHBondContact O-N 2.83Å; Y102-N104 VanDerWaalsContact O-N 3.17Å; N104-D106 PolarHBondContact OD1-N 3.4Å; N104-T108 PolarHBondContact ND2-N 2.93Å; N104-T108 PolarHBondContact ND2-O 3.43Å; N104-Y109 HydrophobicContact CB-CD1 4Å; N104-Y109 HydrophobicContact CB-CE1 3.66Å; N104-K134 PolarHBondContact OD1-O 3.04Å; N104-K134 VanDerWaalsContact OD1-O 3.07Å
105A86.2Confident85.7Confident44 Ų4448.7 Ų48.736%0.36427%0.271SS..SBendtrans-105.7-11.917600000114.2I58 K134 A136I58-A105 HydrophobicContact CD1-CB 3.68Å; I58-A105 HydrophobicContact CG1-CB 3.7Å; I58-A105 HydrophobicContact CG2-CB 4.22Å; A105-K134 PolarHBondContact N-O 2.91Å; A105-A136 HydrophobicContact CB-CB 4.46Å
106D80.3Confident85.7Confident77 Ų7752.6 Ų52.641%0.41229%0.291SS..SBendtrans-100.5-7.8-171.2-149.338000114.1N104 T108 K134N104-D106 PolarHBondContact OD1-N 3.4Å; D106-T108 WeakPolarHBondContact CB-OG1 3.49Å; D106-T108 PolarHBondContact O-N 3.08Å; D106-T108 VanDerWaalsContact O-N 3.14Å; D106-T108 PolarHBondContact OD2-OG1 2.94Å; D106-K134 HydrophobicContact CB-CB 4.13Å; D106-K134 HydrophobicContact CB-CD 3.95Å; D106-K134 HydrophobicContact CB-CG 4.47Å; D106-K134 IonicContact OD1-NZ 2.83Å; D106-K134 PolarHBondContact OD1-NZ 3.46Å; D106-K134 WeakPolarHBondContact OD2-CE 3.44Å; D106-K134 IonicContact OD2-NZ 3.94Å; D106-K134 PolarHBondContact OD2-NZ 3.13Å
107G74.3Confident85.8Confident52 Ų5250.8 Ų50.854%0.53628%0.282SS..SBendtrans72.9-7.9-175.100000115.4Y109G107-Y109 WeakPolarHBondContact O-CD2 3.33Å; G107-Y109 WeakPolarHBondContact O-CE2 3.4Å
108T78.9Confident85.9Confident88 Ų8853.8 Ų53.854%0.5430%0.297SS..  trans-92.693.7176.944.20000110.6N104 D106N104-T108 PolarHBondContact ND2-N 2.93Å; N104-T108 PolarHBondContact ND2-O 3.43Å; D106-T108 WeakPolarHBondContact CB-OG1 3.49Å; D106-T108 PolarHBondContact O-N 3.08Å; D106-T108 VanDerWaalsContact O-N 3.14Å; D106-T108 PolarHBondContact OD2-OG1 2.94Å
109Y72.4Confident86.2Confident89 Ų8951.8 Ų51.835%0.34929%0.287SS..  trans-84.1-22.2-173.7-67.1-87.5000114.5V100 L101 N104 G107V100-Y109 WeakPolarHBondContact CG1-O 3.49Å; L101-Y109 VanDerWaalsContact O-CD1 3.29Å; L101-Y109 WeakPolarHBondContact O-CD1 3.43Å; L101-Y109 WeakPolarHBondContact O-CE1 3.43Å; N104-Y109 HydrophobicContact CB-CD1 4Å; N104-Y109 HydrophobicContact CB-CE1 3.66Å; G107-Y109 WeakPolarHBondContact O-CD2 3.33Å; G107-Y109 WeakPolarHBondContact O-CE2 3.4Å
110E72.2Confident86.4Confident143 Ų14354 Ų5467%0.66830%0.298SS*.SBendtrans-79.8157.9179.3-67.4-174.4-168.400113
111V74.4Confident86.5Confident13 Ų1357.5 Ų57.58%0.07931%0.313CS..  trans-73.6135.8177.7-172.10000111V113 P129 P130 A131V111-V113 VanDerWaalsContact C-N 3.25Å; V111-V113 PolarHBondContact O-N 2.82Å; V111-V113 VanDerWaalsContact O-N 3.15Å; V111-P129 HydrophobicContact CB-CB 4.45Å; V111-P129 HydrophobicContact CG1-CB 3.7Å; V111-P129 HydrophobicContact CG1-CG 4.09Å; V111-P129 HydrophobicContact CG2-CG 4.32Å; V111-P130 WeakPolarHBondContact CG1-O 3.45Å; V111-A131 HydrophobicContact CG1-CB 3.75Å
112T71.8Confident86.6Confident92 Ų9261.4 Ų61.456%0.56433%0.333SS*.SBendtrans-57-30.1-175.640.80000115.2P130T112-P130 PolarHBondContact OG1-O 2.88Å
113V82.3Confident86.8Confident77 Ų7757.3 Ų57.347%0.46732%0.318SS..  trans-137.8114-178.4-175.80000110.9V111 T115 P129 P130V111-V113 VanDerWaalsContact C-N 3.25Å; V111-V113 PolarHBondContact O-N 2.82Å; V111-V113 VanDerWaalsContact O-N 3.15Å; V113-T115 HydrophobicContact CG1-CG2 4.14Å; V113-T115 PolarHBondContact O-N 2.8Å; V113-P129 WeakPolarHBondContact O-CB 3.33Å; V113-P130 HydrophobicContact CB-CG 4.34Å
114F85.1Confident87Confident68 Ų6856.6 Ų56.630%0.29831%0.314SS..  trans-76.488.8171.9-72.3-86.7000110.7W127F114-W127 HydrophobicContact CD1-CH2 4.47Å; F114-W127 HydrophobicContact CD1-CZ2 4.12Å; F114-W127 HydrophobicContact CE1-CH2 4.5Å
115T92.4Very high87.2Confident38 Ų3855.6 Ų55.623%0.23331%0.309CS..PPolyproline II helixtrans-72.4167174.856.30000112.2S91 V113 W127 L128 P129S91-T115 WeakPolarHBondContact CB-O 3.35Å; S91-T115 PolarHBondContact OG-O 3.37Å; V113-T115 HydrophobicContact CG1-CG2 4.14Å; V113-T115 PolarHBondContact O-N 2.8Å; T115-W127 PolarHBondContact O-NE1 3.44Å; T115-W127 PolarHBondContact OG1-NE1 2.91Å; T115-L128 PolarHBondContact OG1-O 3.27Å; T115-P129 WeakPolarHBondContact OG1-CA 3.25Å
116N95.4Very high87.7Confident86 Ų8656 Ų5646%0.4631%0.305SS..EExtended strand (participates in β ladder)trans-69.7141.5171.6-66.3-8.5000110.6R88 I89 P90R88-N116 HydrophobicContact CB-CB 4.46Å; I89-N116 CarbonylContact O-C 3.57Å; I89-N116 VanDerWaalsContact O-CA 3.28Å; I89-N116 WeakPolarHBondContact O-CA 3.3Å; I89-N116 WeakPolarHBondContact O-CB 3.5Å; P90-N116 WeakPolarHBondContact CA-OD1 3.36Å
117V96.2Very high88.5Confident0 Ų052.8 Ų52.80%029%0.287CS..EExtended strand (participates in β ladder)trans-79.2149.2166.6-58.60000110.3W69 R88 I89 V94 L96 V119 I125 W127W69-V117 HydrophobicContact CH2-CG1 4.38Å; R88-V117 WeakPolarHBondContact CA-O 3.26Å; I89-V117 HydrophobicContact CB-CG2 3.92Å; I89-V117 PolarHBondContact N-O 3.18Å; I89-V117 WeakPolarHBondContact O-CG2 3.36Å; I89-V117 PolarHBondContact O-N 2.92Å; V94-V117 HydrophobicContact CG1-CG2 4.24Å; V94-V117 HydrophobicContact CG2-CG1 4Å; V94-V117 HydrophobicContact CG2-CG2 3.85Å; L96-V117 HydrophobicContact CD2-CG1 4.11Å; V117-V119 HydrophobicContact CG2-CG2 3.88Å; V117-I125 HydrophobicContact CB-CG2 3.78Å; V117-I125 HydrophobicContact CG1-CG2 4.17Å; V117-I125 HydrophobicContact CG2-CG2 4.19Å; V117-W127 HydrophobicContact CG1-CB 3.88Å; V117-W127 HydrophobicContact CG1-CG 3.78Å
118I96.8Very high89.3Confident65 Ų6553.8 Ų53.833%0.33328%0.28SS..EExtended strand (participates in β ladder)trans-102.6114.9169.4-58.1173.4000107.3K86 R88 I125 N126K86-I118 HydrophobicContact CB-CG2 4.48Å; R88-I118 HydrophobicContact CG-CG1 4.34Å; I118-I125 WeakPolarHBondContact O-CA 3.39Å; I118-N126 PolarHBondContact N-O 3.28Å; I118-N126 PolarHBondContact O-N 2.87Å
119V96.9Very high90Very high0 Ų049.6 Ų49.60%025%0.254CS..EExtended strand (participates in β ladder)trans-102.9132.8177-171.90000108.5L74 W76 K86 I87 I89 V117 I125L74-V119 HydrophobicContact CB-CG1 4.07Å; W76-V119 HydrophobicContact CH2-CG1 4.34Å; W76-V119 HydrophobicContact CZ3-CB 4.49Å; W76-V119 HydrophobicContact CZ3-CG1 3.85Å; K86-V119 CarbonylContact C-O 3.34Å; K86-V119 WeakPolarHBondContact CA-O 3.33Å; I87-V119 HydrophobicContact CG1-CB 4Å; I87-V119 PolarHBondContact N-O 3.15Å; I87-V119 PolarHBondContact O-N 3.39Å; I89-V119 HydrophobicContact CD1-CG2 3.92Å; I89-V119 HydrophobicContact CG1-CG2 4.15Å; V117-V119 HydrophobicContact CG2-CG2 3.88Å; V119-I125 HydrophobicContact CG1-CG1 4.24Å; V119-I125 HydrophobicContact CG2-CD1 4.26Å; V119-I125 HydrophobicContact CG2-CG1 4.19Å; V119-I125 HydrophobicContact CG2-CG2 4.45Å
120L96.9Very high91Very high54 Ų5447.5 Ų47.528%0.28325%0.251SS..EExtended strand (participates in β ladder)trans-97.3154.8173.8-71.7154.7000110.5W76 D85 K86 N122 G123 S124W76-L120 VanDerWaalsContact CH2-C 3.45Å; D85-L120 CarbonylContact O-C 3.55Å; D85-L120 WeakPolarHBondContact O-CA 3.38Å; K86-L120 HydrophobicContact CB-CD2 4.12Å; L120-N122 WeakPolarHBondContact CB-OD1 3.42Å; L120-N122 PolarHBondContact O-N 2.86Å; L120-G123 PolarHBondContact O-N 2.79Å; L120-S124 PolarHBondContact N-O 2.87Å
121F95.4Very high91.9Very high87 Ų8740.8 Ų40.838%0.38222%0.22SC..THydrogen-bonded Turntrans-54.1-28.4-176.772.7-89.9000114.7S75 W76 P78 D85 G123S75-F121 VanDerWaalsContact CA-O 3.29Å; S75-F121 WeakPolarHBondContact CA-O 3.37Å; W76-F121 HydrophobicContact CD2-CB 4.17Å; W76-F121 HydrophobicContact CH2-CB 4.42Å; W76-F121 HydrophobicContact CZ2-CB 3.83Å; W76-F121 PolarHBondContact N-O 2.97Å; P78-F121 HydrophobicContact CG-CB 3.65Å; P78-F121 HydrophobicContact CG-CD1 4.27Å; P78-F121 HydrophobicContact CG-CD2 3.89Å; P78-F121 HydrophobicContact CG-CG 3.67Å; D85-F121 HydrophobicContact CB-CD1 4.24Å; D85-F121 PolarHBondContact O-N 2.98Å; F121-G123 PolarHBondContact O-N 2.84Å
122N95.4Very high92.8Very high82 Ų8244.4 Ų44.444%0.43924%0.238SC..EExtended strand (participates in β ladder)trans-79.76.3177.172.1-9.7000114L120 S124L120-N122 WeakPolarHBondContact CB-OD1 3.42Å; L120-N122 PolarHBondContact O-N 2.86Å; N122-S124 VanDerWaalsContact C-N 3.33Å; N122-S124 VanDerWaalsContact CG-OG 3.28Å; N122-S124 PolarHBondContact ND2-OG 3.04Å; N122-S124 VanDerWaalsContact ND2-OG 3.11Å; N122-S124 WeakPolarHBondContact OD1-CB 3.35Å; N122-S124 PolarHBondContact OD1-N 3.26Å; N122-S124 PolarHBondContact OD1-OG 2.94Å
123G94.4Very high93.8Very high0 Ų040.4 Ų40.40%021%0.213CC..EExtended strand (participates in β ladder)trans80.53.9-175.600000114.9V70 D71 L120 F121V70-G123 CarbonylContact C-O 3.57Å; V70-G123 WeakPolarHBondContact CA-O 3.49Å; D71-G123 PolarHBondContact N-O 2.89Å; D71-G123 WeakPolarHBondContact O-CA 3.29Å; L120-G123 PolarHBondContact O-N 2.79Å; F121-G123 PolarHBondContact O-N 2.84Å
124S96.9Very high94.4Very high13 Ų1340 Ų409%0.09121%0.205CC..EExtended strand (participates in β ladder)trans-73.7129175.9-55.80000110.5L120 N122L120-S124 PolarHBondContact N-O 2.87Å; N122-S124 VanDerWaalsContact C-N 3.33Å; N122-S124 VanDerWaalsContact CG-OG 3.28Å; N122-S124 PolarHBondContact ND2-OG 3.04Å; N122-S124 VanDerWaalsContact ND2-OG 3.11Å; N122-S124 WeakPolarHBondContact OD1-CB 3.35Å; N122-S124 PolarHBondContact OD1-N 3.26Å; N122-S124 PolarHBondContact OD1-OG 2.94Å
125I97.3Very high94.8Very high0 Ų036.8 Ų36.80%019%0.191CC..EExtended strand (participates in β ladder)trans-113.4128.6-177.3-52.7-168.8000109.1H68 W69 D71 L74 V117 I118 V119H68-I125 VanDerWaalsContact CA-O 3.31Å; H68-I125 WeakPolarHBondContact CA-O 3.35Å; W69-I125 HydrophobicContact CD2-CB 4.15Å; W69-I125 HydrophobicContact CD2-CG2 4.45Å; W69-I125 HydrophobicContact CH2-CG2 3.79Å; W69-I125 HydrophobicContact CZ2-CB 4.07Å; W69-I125 HydrophobicContact CZ2-CD1 4.25Å; W69-I125 HydrophobicContact CZ2-CG2 3.59Å; W69-I125 HydrophobicContact CZ3-CG2 4.3Å; W69-I125 PolarHBondContact N-O 3.46Å; W69-I125 PolarHBondContact O-N 3.3Å; D71-I125 HydrophobicContact CB-CD1 3.8Å; L74-I125 HydrophobicContact CD1-CD1 3.76Å; V117-I125 HydrophobicContact CB-CG2 3.78Å; V117-I125 HydrophobicContact CG1-CG2 4.17Å; V117-I125 HydrophobicContact CG2-CG2 4.19Å; I118-I125 WeakPolarHBondContact O-CA 3.39Å; V119-I125 HydrophobicContact CG1-CG1 4.24Å; V119-I125 HydrophobicContact CG2-CD1 4.26Å; V119-I125 HydrophobicContact CG2-CG1 4.19Å; V119-I125 HydrophobicContact CG2-CG2 4.45Å
126N96.4Very high94.9Very high51 Ų5137.4 Ų37.427%0.27320%0.2SC..EExtended strand (participates in β ladder)trans-111.9125.3167.8-69.7-85.3000109H68 I118H68-N126 PolarHBondContact CD2-OD1 3.26Å; I118-N126 PolarHBondContact N-O 3.28Å; I118-N126 PolarHBondContact O-N 2.87Å
127W95.8Very high94.9Very high10 Ų1033.6 Ų33.64%0.03818%0.18CC..EExtended strand (participates in β ladder)trans-121.6134.6171.3-171.137.4000109.5Q67 W69 L96 F114 T115 V117 P129Q67-W127 HydrophobicContact CB-CB 4.44Å; Q67-W127 HydrophobicContact CG-CE3 4.46Å; Q67-W127 PolarHBondContact N-O 2.56Å; Q67-W127 PolarHBondContact O-N 3.06Å; W69-W127 HydrophobicContact CH2-CB 3.81Å; W69-W127 HydrophobicContact CH2-CE3 4.42Å; W69-W127 HydrophobicContact CZ3-CB 3.77Å; L96-W127 HydrophobicContact CD1-CH2 4.35Å; L96-W127 HydrophobicContact CD2-CD2 4.26Å; L96-W127 HydrophobicContact CD2-CE3 4.1Å; L96-W127 HydrophobicContact CD2-CZ3 4.37Å; F114-W127 HydrophobicContact CD1-CH2 4.47Å; F114-W127 HydrophobicContact CD1-CZ2 4.12Å; F114-W127 HydrophobicContact CE1-CH2 4.5Å; T115-W127 PolarHBondContact O-NE1 3.44Å; T115-W127 PolarHBondContact OG1-NE1 2.91Å; V117-W127 HydrophobicContact CG1-CB 3.88Å; V117-W127 HydrophobicContact CG1-CG 3.78Å; W127-P129 HydrophobicContact CD2-CG 3.93Å; W127-P129 HydrophobicContact CE3-CG 4.23Å; W127-P129 HydrophobicContact CH2-CB 4.49Å; W127-P129 HydrophobicContact CH2-CG 3.97Å; W127-P129 HydrophobicContact CZ2-CB 3.77Å; W127-P129 HydrophobicContact CZ2-CG 3.65Å; W127-P129 HydrophobicContact CZ3-CG 4.25Å
128L92.9Very high94.7Very high74 Ų7439.4 Ų39.439%0.38721%0.205SC..  trans-138.774-177.2-172.166.9000108.9W64 T66 T115W64-L128 HydrophobicContact CB-CD1 3.91Å; W64-L128 HydrophobicContact CB-CG 4.44Å; W64-L128 HydrophobicContact CE3-CD2 3.95Å; W64-L128 HydrophobicContact CE3-CG 4.46Å; W64-L128 HydrophobicContact CZ3-CD2 4.44Å; T66-L128 HydrophobicContact CG2-CD1 4.39Å; T66-L128 VanDerWaalsContact OG1-CD1 3.26Å; T66-L128 WeakPolarHBondContact OG1-CD1 3.32Å; T115-L128 PolarHBondContact OG1-O 3.27Å
129P93.3Very high94.4Very high0 Ų036.7 Ų36.70%019%0.191CC..  trans-79.6137.5173.235.8-37.6000110.3L65 V111 V113 T115 W127L65-P129 PolarHBondContact N-O 2.88Å; L65-P129 WeakPolarHBondContact O-CD 3.41Å; V111-P129 HydrophobicContact CB-CB 4.45Å; V111-P129 HydrophobicContact CG1-CB 3.7Å; V111-P129 HydrophobicContact CG1-CG 4.09Å; V111-P129 HydrophobicContact CG2-CG 4.32Å; V113-P129 WeakPolarHBondContact O-CB 3.33Å; T115-P129 WeakPolarHBondContact OG1-CA 3.25Å; W127-P129 HydrophobicContact CD2-CG 3.93Å; W127-P129 HydrophobicContact CE3-CG 4.23Å; W127-P129 HydrophobicContact CH2-CB 4.49Å; W127-P129 HydrophobicContact CH2-CG 3.97Å; W127-P129 HydrophobicContact CZ2-CB 3.77Å; W127-P129 HydrophobicContact CZ2-CG 3.65Å; W127-P129 HydrophobicContact CZ3-CG 4.25Å
130P92.4Very high94.1Very high44 Ų4442.9 Ų42.929%0.28622%0.22SC..EExtended strand (participates in β ladder)trans-77.3133.9168.832.1-32000109.6V111 T112 V113V111-P130 WeakPolarHBondContact CG1-O 3.45Å; T112-P130 PolarHBondContact OG1-O 2.88Å; V113-P130 HydrophobicContact CB-CG 4.34Å
131A91.6Very high93.8Very high2 Ų240.7 Ų40.72%0.01721%0.209CC..EExtended strand (participates in β ladder)trans-131.4133.1-176.900000111.1V63 V111 Y133V63-A131 HydrophobicContact CG2-CB 4.29Å; V63-A131 PolarHBondContact N-O 3.42Å; V63-A131 PolarHBondContact O-N 3.42Å; V111-A131 HydrophobicContact CG1-CB 3.75Å; A131-Y133 HydrophobicContact CB-CD2 3.97Å; A131-Y133 HydrophobicContact CB-CE1 4.26Å; A131-Y133 HydrophobicContact CB-CE2 3.45Å; A131-Y133 VanDerWaalsContact CB-CE2 3.45Å
132I92.6Very high93.4Very high89 Ų8940.5 Ų40.546%0.45621%0.208SC..EExtended strand (participates in β ladder)trans-97.7110.8163.4-61.5172.3000107.3I50 T60 T61I50-I132 HydrophobicContact CD1-CG2 4.22Å; T60-I132 HydrophobicContact CG2-CG2 3.79Å; T61-I132 CarbonylContact O-C 3.56Å; T61-I132 WeakPolarHBondContact O-CA 3.29Å
133Y93.1Very high92.9Very high8 Ų839.4 Ų39.43%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-102.7131.2179.1-75.4-54.5000111.4T60 T61 V63 L101 A131 F155T60-Y133 WeakPolarHBondContact CA-O 3.43Å; T61-Y133 PolarHBondContact N-O 3.32Å; T61-Y133 PolarHBondContact O-N 3.18Å; V63-Y133 HydrophobicContact CG2-CD2 3.44Å; V63-Y133 VanDerWaalsContact CG2-CD2 3.44Å; V63-Y133 HydrophobicContact CG2-CE2 3.61Å; L101-Y133 HydrophobicContact CB-CD1 3.94Å; L101-Y133 HydrophobicContact CB-CE1 4.02Å; L101-Y133 HydrophobicContact CD2-CD1 3.91Å; L101-Y133 HydrophobicContact CD2-CG 4.11Å; A131-Y133 HydrophobicContact CB-CD2 3.97Å; A131-Y133 HydrophobicContact CB-CE1 4.26Å; A131-Y133 HydrophobicContact CB-CE2 3.45Å; A131-Y133 VanDerWaalsContact CB-CE2 3.45Å; Y133-F155 HydrophobicContact CD2-CE1 4.22Å; Y133-F155 HydrophobicContact CD2-CZ 4.09Å; Y133-F155 AromaticContact CE2-CE1 3.56Å; Y133-F155 HydrophobicContact CE2-CE1 3.56Å; Y133-F155 AromaticContact CE2-CZ 3.77Å; Y133-F155 HydrophobicContact CE2-CZ 3.77Å; Y133-F155 AromaticContact CZ-CE1 3.77Å
134K94.4Very high92.6Very high70 Ų7039.9 Ų39.930%0.30420%0.202SC..EExtended strand (participates in β ladder)trans-104.3102.4167.5-64.9-171.3-160.3148.50109.2I58 T60 N104 A105 D106I58-K134 HydrophobicContact CG2-CB 3.81Å; I58-K134 HydrophobicContact CG2-CG 4.35Å; T60-K134 HydrophobicContact CG2-CG 4.16Å; N104-K134 PolarHBondContact OD1-O 3.04Å; N104-K134 VanDerWaalsContact OD1-O 3.07Å; A105-K134 PolarHBondContact N-O 2.91Å; D106-K134 HydrophobicContact CB-CB 4.13Å; D106-K134 HydrophobicContact CB-CD 3.95Å; D106-K134 HydrophobicContact CB-CG 4.47Å; D106-K134 IonicContact OD1-NZ 2.83Å; D106-K134 PolarHBondContact OD1-NZ 3.46Å; D106-K134 WeakPolarHBondContact OD2-CE 3.44Å; D106-K134 IonicContact OD2-NZ 3.94Å; D106-K134 PolarHBondContact OD2-NZ 3.13Å
135S95.2Very high92.3Very high0 Ų039.4 Ų39.40%020%0.199CC..EExtended strand (participates in β ladder)trans-99.8138.9-178.159.30000111.7I58 M59 N103 C137 L153I58-S135 CarbonylContact C-O 3.59Å; I58-S135 WeakPolarHBondContact CA-O 3.33Å; M59-S135 WeakPolarHBondContact CE-OG 3.37Å; M59-S135 PolarHBondContact N-O 3.31Å; M59-S135 PolarHBondContact O-N 3.14Å; M59-S135 PolarHBondContact O-OG 3.38Å; M59-S135 VanDerWaalsContact O-OG 3.13Å; N103-S135 CarbonylContact O-C 3.58Å; N103-S135 WeakPolarHBondContact O-CA 3.46Å; S135-C137 PolarHBondContact O-N 2.6Å; S135-L153 VanDerWaalsContact CB-CD2 3.41Å; S135-L153 WeakPolarHBondContact OG-CD2 3.47Å
136A94.6Very high91.9Very high50 Ų5044.7 Ų44.741%0.41322%0.222SC..EExtended strand (participates in β ladder)trans-69.7122.716800000109.4Q57 N103 A105Q57-A136 WeakPolarHBondContact O-CA 3.27Å; N103-A136 PolarHBondContact ND2-O 2.88Å; N103-A136 VanDerWaalsContact ND2-O 3.15Å; N103-A136 PolarHBondContact O-N 3.22Å; A105-A136 HydrophobicContact CB-CB 4.46Å
137C93.7Very high91.5Very high6 Ų642.4 Ų42.44%0.04121%0.21CC..  trans-133.8119.9-180174.20000110.8Q57 M59 S135 I139 C151Q57-C137 WeakPolarHBondContact CB-O 3.32Å; Q57-C137 PolarHBondContact O-N 2.94Å; M59-C137 HydrophobicContact CB-CB 4.3Å; S135-C137 PolarHBondContact O-N 2.6Å; C137-I139 PolarHBondContact O-N 2.73Å; C137-C151 HydrophobicContact CB-CB 3.68Å; C137-C151 WeakPolarHBondContact CB-SG 3.38Å; C137-C151 WeakPolarHBondContact SG-CA 3.47Å; C137-C151 WeakPolarHBondContact SG-CB 3.48Å; C137-C151 CovalentContact SG-SG 2.03Å; C137-C151 PolarHBondContact SG-SG 3.11Å
138K91.9Very high91.4Very high123 Ų12346.6 Ų46.654%0.53523%0.23SC..  trans-71122.1175.2-178.7-170.9172.8-164.50109.9
139I91.9Very high91.5Very high8 Ų843.2 Ų43.24%0.04121%0.212CC..  trans-93.9131.4-178.2-54.4-58.8000111.3V52 E54 Q57 C137 V141V52-I139 HydrophobicContact CG1-CD1 3.99Å; E54-I139 HydrophobicContact CB-CG1 4.3Å; E54-I139 HydrophobicContact CB-CG2 4.24Å; E54-I139 HydrophobicContact CG-CG2 4.17Å; Q57-I139 HydrophobicContact CG-CG1 4.4Å; C137-I139 PolarHBondContact O-N 2.73Å; I139-V141 HydrophobicContact CG2-CG1 3.96Å
140E90.4Very high91.6Very high130 Ų13047.4 Ų47.461%0.60723%0.234SC*.  trans-95.7102.6174.9-62.1-162.7171.300110.8Q149E140-Q149 PolarHBondContact O-NE2 2.72Å
141V90.1Very high91.7Very high8 Ų845.3 Ų45.35%0.04822%0.221CC..  trans-89.4-4-169.4-57.60000114.4I139 H143 F144 V269 P270 D275 P277I139-V141 HydrophobicContact CG2-CG1 3.96Å; V141-H143 VanDerWaalsContact C-N 3.32Å; V141-H143 PolarHBondContact O-N 2.71Å; V141-F144 WeakPolarHBondContact O-CB 3.34Å; V141-F144 PolarHBondContact O-N 3.03Å; V141-V269 HydrophobicContact CB-CG1 4.06Å; V141-V269 HydrophobicContact CG1-CG1 3.82Å; V141-V269 HydrophobicContact CG2-CG1 4.29Å; V141-P270 HydrophobicContact CG1-CG 3.83Å; V141-D275 WeakPolarHBondContact CG2-O 3.46Å; V141-P277 HydrophobicContact CB-CB 4.43Å; V141-P277 WeakPolarHBondContact O-CA 3.15Å; V141-P277 WeakPolarHBondContact O-CB 3.35Å
142K86.4Confident92Very high82 Ų8246.7 Ų46.736%0.35723%0.229SC..THydrogen-bonded Turntrans-52.8-43.4-169.8-179.5175.4173.61760113.8L278K142-L278 PolarHBondContact O-N 3.33Å
143H86.7Confident92.1Very high59 Ų5942.4 Ų42.427%0.27321%0.207SC..THydrogen-bonded Turntrans-106.913.6-175.9-56.1117.7000114.1V141 F146V141-H143 VanDerWaalsContact C-N 3.32Å; V141-H143 PolarHBondContact O-N 2.71Å; H143-F146 CarbonylContact O-C 3.57Å; H143-F146 WeakPolarHBondContact O-CA 3.44Å; H143-F146 PolarHBondContact O-N 3.07Å
144F87.6Confident92.2Very high10 Ų1045.4 Ų45.44%0.04422%0.22CC..THydrogen-bonded Turntrans-51.5133.2178.8178.1-87.8000112.1V141 Y219 I265 I268 P277 I279V141-F144 WeakPolarHBondContact O-CB 3.34Å; V141-F144 PolarHBondContact O-N 3.03Å; F144-Y219 HydrophobicContact CE1-CD1 4.26Å; F144-Y219 HydrophobicContact CE2-CE1 4.37Å; F144-Y219 AromaticContact CZ-CD1 3.64Å; F144-Y219 HydrophobicContact CZ-CD1 3.64Å; F144-Y219 AromaticContact CZ-CE1 3.69Å; F144-Y219 HydrophobicContact CZ-CE1 3.69Å; F144-Y219 HydrophobicContact CZ-CG 4.11Å; F144-I265 HydrophobicContact CD1-CD1 4.08Å; F144-I265 HydrophobicContact CE1-CD1 3.6Å; F144-I265 HydrophobicContact CZ-CD1 4.38Å; F144-I268 HydrophobicContact CE2-CG2 4.45Å; F144-I268 HydrophobicContact CZ-CG2 4.07Å; F144-P277 HydrophobicContact CB-CB 4.38Å; F144-I279 HydrophobicContact CD1-CG2 4Å
145P89.6Confident92.2Very high4 Ų442 Ų423%0.02621%0.206CC..THydrogen-bonded Turncis-96.317.8540-37.9000114.4D147 R214 P216 Y219 I224P145-D147 VanDerWaalsContact C-N 3.26Å; P145-D147 WeakPolarHBondContact CA-OD1 3.35Å; P145-D147 PolarHBondContact O-N 2.91Å; P145-R214 WeakPolarHBondContact O-CD 3.43Å; P145-P216 HydrophobicContact CG-CB 4.35Å; P145-Y219 HydrophobicContact CB-CD2 4.02Å; P145-Y219 HydrophobicContact CB-CG 3.92Å; P145-I224 HydrophobicContact CG-CD1 4.05Å
146F88.3Confident92.2Very high110 Ų11043.7 Ų43.748%0.48221%0.212SC..SBendtrans-9733.2177.9-54.3-75000111.3H143 P216 I224H143-F146 CarbonylContact O-C 3.57Å; H143-F146 WeakPolarHBondContact O-CA 3.44Å; H143-F146 PolarHBondContact O-N 3.07Å; F146-P216 HydrophobicContact CD1-CB 3.67Å; F146-P216 HydrophobicContact CD1-CG 3.82Å; F146-P216 HydrophobicContact CE1-CB 3.54Å; F146-P216 HydrophobicContact CE1-CG 3.71Å; F146-P216 HydrophobicContact CZ-CB 4.4Å; F146-I224 HydrophobicContact CE2-CD1 3.85Å; F146-I224 HydrophobicContact CZ-CD1 3.96Å
147D89.9Confident92.1Very high3 Ų341.3 Ų41.32%0.01619%0.193CC..  trans-83.2149.5-17251.7-57.8000113.8P145 Q149 R214P145-D147 VanDerWaalsContact C-N 3.26Å; P145-D147 WeakPolarHBondContact CA-OD1 3.35Å; P145-D147 PolarHBondContact O-N 2.91Å; D147-Q149 PolarHBondContact OD2-NE2 2.86Å; D147-R214 PolarHBondContact O-N 2.87Å; D147-R214 VanDerWaalsContact O-N 3.17Å; D147-R214 IonicContact OD1-CZ 2.65Å; D147-R214 IonicContact OD1-NE 2.65Å; D147-R214 PolarHBondContact OD1-NE 3.21Å; D147-R214 IonicContact OD1-NH2 3.27Å; D147-R214 IonicContact OD2-CZ 3.22Å; D147-R214 IonicContact OD2-NE 3.34Å; D147-R214 PolarHBondContact OD2-NE 3.23Å; D147-R214 IonicContact OD2-NH2 3.31Å; D147-R214 PolarHBondContact OD2-NH2 3Å
148Q92.1Very high92Very high98 Ų9848 Ų4846%0.45822%0.217SC..EExtended strand (participates in β ladder)trans-110.7142.5160.8-67-179.1100107.3I212 K213Q148-I212 CarbonylContact C-O 3.56Å; Q148-I212 VanDerWaalsContact CA-O 3.29Å; Q148-I212 WeakPolarHBondContact CA-O 3.17Å; Q148-K213 HydrophobicContact CG-CB 4.27Å; Q148-K213 HydrophobicContact CG-CG 4.13Å
149Q94.8Very high91.9Very high4 Ų446.6 Ų46.62%0.01922%0.219CC..EExtended strand (participates in β ladder)trans-122.8146.7177.7-55.1-59.8-23.500109.5E140 D147 W185 I212E140-Q149 PolarHBondContact O-NE2 2.72Å; D147-Q149 PolarHBondContact OD2-NE2 2.86Å; Q149-W185 HydrophobicContact CB-CZ3 4.42Å; Q149-W185 HydrophobicContact CG-CH2 3.66Å; Q149-W185 HydrophobicContact CG-CZ3 3.79Å; Q149-I212 HydrophobicContact CB-CD1 4.27Å; Q149-I212 HydrophobicContact CB-CG1 3.84Å; Q149-I212 PolarHBondContact N-O 2.98Å; Q149-I212 PolarHBondContact O-N 2.83Å
150N95.6Very high92Very high87 Ų8748 Ų4847%0.46522%0.224SC..EExtended strand (participates in β ladder)trans-121.290.4174.1-172.8-1.9000108.9F210N150-F210 WeakPolarHBondContact CA-O 3.24Å
151C96.3Very high92Very high1 Ų144.6 Ų44.61%0.00721%0.21CC..EExtended strand (participates in β ladder)trans-88.1160.1175.6-650000110.6M59 C137 D209 F210M59-C151 HydrophobicContact CB-CB 4.49Å; M59-C151 HydrophobicContact CE-CB 3.7Å; M59-C151 HydrophobicContact SD-CB 3.51Å; M59-C151 VanDerWaalsContact SD-CB 3.51Å; C137-C151 HydrophobicContact CB-CB 3.68Å; C137-C151 WeakPolarHBondContact CB-SG 3.38Å; C137-C151 WeakPolarHBondContact SG-CA 3.47Å; C137-C151 WeakPolarHBondContact SG-CB 3.48Å; C137-C151 CovalentContact SG-SG 2.03Å; C137-C151 PolarHBondContact SG-SG 3.11Å; C151-D209 CarbonylContact O-C 3.53Å; C151-F210 HydrophobicContact CB-CB 4.09Å; C151-F210 PolarHBondContact N-O 3.17Å; C151-F210 PolarHBondContact O-N 3.15Å
152T96.3Very high92.1Very high30 Ų3045.3 Ų45.318%0.18421%0.213CC..EExtended strand (participates in β ladder)trans-134.4144.5-179.567.60000111.4N103 T207 Y208 D209N103-T152 PolarHBondContact ND2-O 2.87Å; T152-T207 HydrophobicContact CG2-CG2 4.25Å; T152-Y208 CarbonylContact C-O 3.54Å; T152-Y208 WeakPolarHBondContact CA-O 3.35Å; T152-D209 VanDerWaalsContact CG2-OD1 3.27Å; T152-D209 WeakPolarHBondContact CG2-OD1 3.33Å
153L95.5Very high92.3Very high0 Ų044.7 Ų44.70%022%0.216CC..EExtended strand (participates in β ladder)trans-111.4115.9165.8-62.3-176.1000108.6M59 V63 L101 S135 F155 T207 Y208 F210M59-L153 HydrophobicContact CE-CD2 3.9Å; M59-L153 HydrophobicContact CE-CG 4.18Å; V63-L153 HydrophobicContact CG1-CD1 4.47Å; L101-L153 HydrophobicContact CD1-CB 3.97Å; L101-L153 HydrophobicContact CD1-CD2 3.93Å; L101-L153 HydrophobicContact CD2-CD2 4.49Å; S135-L153 VanDerWaalsContact CB-CD2 3.41Å; S135-L153 WeakPolarHBondContact OG-CD2 3.47Å; L153-F155 HydrophobicContact CB-CD2 4.42Å; L153-F155 HydrophobicContact CB-CE2 3.68Å; L153-F155 HydrophobicContact CB-CZ 4.19Å; L153-F155 HydrophobicContact CD1-CE2 4.29Å; L153-F155 HydrophobicContact CD1-CZ 4.29Å; L153-T207 CarbonylContact O-C 3.59Å; L153-T207 WeakPolarHBondContact O-CA 3.33Å; L153-Y208 PolarHBondContact N-O 3.13Å; L153-Y208 PolarHBondContact O-N 2.95Å; L153-F210 HydrophobicContact CB-CE2 4.3Å; L153-F210 HydrophobicContact CD1-CE2 3.53Å; L153-F210 HydrophobicContact CD1-CZ 3.61Å; L153-F210 HydrophobicContact CG-CD2 4.23Å; L153-F210 HydrophobicContact CG-CE2 3.61Å; L153-F210 HydrophobicContact CG-CZ 4.15Å
154K94.9Very high92.6Very high70 Ų7045 Ų4530%0.30422%0.217SC..EExtended strand (participates in β ladder)trans-104.6109.4-178.5-60.4-157.9165.7-152.30112.1L101 Y102 N103 D205 T207L101-K154 CarbonylContact C-O 3.54Å; L101-K154 WeakPolarHBondContact CA-O 3.35Å; Y102-K154 PolarHBondContact N-O 3.29Å; N103-K154 WeakPolarHBondContact OD1-CB 3.28Å; N103-K154 PolarHBondContact OD1-N 3Å; K154-D205 IonicContact NZ-OD2 2.6Å; K154-T207 HydrophobicContact CG-CG2 4.2Å
155F95.4Very high92.9Very high0 Ų044.5 Ų44.50%022%0.215CC..EExtended strand (participates in β ladder)trans-101.7128.8178.9-64.2-78.8000111.7L42 V44 L65 I99 V100 L101 Y133 L153 L206 Y208L42-F155 HydrophobicContact CD2-CB 3.72Å; L42-F155 HydrophobicContact CD2-CD2 4.21Å; L42-F155 HydrophobicContact CD2-CG 3.95Å; V44-F155 HydrophobicContact CG2-CD2 4.38Å; V44-F155 HydrophobicContact CG2-CE2 3.7Å; V44-F155 HydrophobicContact CG2-CZ 4.2Å; L65-F155 HydrophobicContact CD1-CD1 4.43Å; L65-F155 HydrophobicContact CD1-CE1 4.07Å; L65-F155 HydrophobicContact CD1-CZ 4.12Å; L65-F155 HydrophobicContact CD2-CD1 4.43Å; L65-F155 HydrophobicContact CD2-CE1 4.19Å; I99-F155 HydrophobicContact CG2-CB 3.87Å; I99-F155 HydrophobicContact CG2-CD1 4.11Å; I99-F155 HydrophobicContact CG2-CG 4.41Å; V100-F155 WeakPolarHBondContact O-CA 3.48Å; L101-F155 HydrophobicContact CD1-CE1 4.49Å; Y133-F155 HydrophobicContact CD2-CE1 4.22Å; Y133-F155 HydrophobicContact CD2-CZ 4.09Å; Y133-F155 AromaticContact CE2-CE1 3.56Å; Y133-F155 HydrophobicContact CE2-CE1 3.56Å; Y133-F155 AromaticContact CE2-CZ 3.77Å; Y133-F155 HydrophobicContact CE2-CZ 3.77Å; Y133-F155 AromaticContact CZ-CE1 3.77Å; L153-F155 HydrophobicContact CB-CD2 4.42Å; L153-F155 HydrophobicContact CB-CE2 3.68Å; L153-F155 HydrophobicContact CB-CZ 4.19Å; L153-F155 HydrophobicContact CD1-CE2 4.29Å; L153-F155 HydrophobicContact CD1-CZ 4.29Å; F155-L206 PolarHBondContact N-O 2.96Å; F155-L206 PolarHBondContact O-N 3.19Å; F155-Y208 HydrophobicContact CD2-CD2 4.09Å; F155-Y208 HydrophobicContact CD2-CE2 4.48Å; F155-Y208 HydrophobicContact CE2-CD2 4.17Å
156R93.4Very high93.2Very high34 Ų3445.6 Ų45.613%0.12822%0.221CC..EExtended strand (participates in β ladder)trans-151.9155.9173.1166177.2178.8175.14.3109.4V100 Y102 D161 V204 D205V100-R156 PolarHBondContact N-O 3.14Å; V100-R156 PolarHBondContact O-N 3.18Å; Y102-R156 HydrophobicContact CD2-CB 3.69Å; Y102-R156 HydrophobicContact CD2-CG 4.3Å; Y102-R156 HydrophobicContact CE2-CB 3.51Å; Y102-R156 HydrophobicContact CE2-CG 3.64Å; R156-D161 IonicContact NH2-OD1 3.28Å; R156-D161 PolarHBondContact NH2-OD1 2.69Å; R156-V204 WeakPolarHBondContact CD-O 3.41Å; R156-V204 WeakPolarHBondContact CG-O 3.48Å; R156-D205 HydrophobicContact CB-CB 4.22Å
157S93.1Very high93.5Very high1 Ų140.4 Ų40.41%0.00720%0.198CC..EExtended strand (participates in β ladder)trans-69.1134.1170.536.80000111.5D98 Y102 Y160D98-S157 WeakPolarHBondContact O-CA 3.34Å; D98-S157 WeakPolarHBondContact OD1-CB 3.15Å; Y102-S157 PolarHBondContact OH-O 3.26Å; S157-Y160 WeakPolarHBondContact CB-O 3.41Å; S157-Y160 PolarHBondContact OG-O 3.19Å
158W90.9Very high93.8Very high146 Ų14643 Ų4355%0.55321%0.212SC*.SBendtrans-77.3-36.9-177.2-174.2-100000113.6D98 V100 Y102D98-W158 PolarHBondContact O-N 3.42Å; D98-W158 VanDerWaalsContact O-N 3.14Å; D98-W158 PolarHBondContact OD1-N 2.85Å; D98-W158 WeakPolarHBondContact OD2-CB 3.4Å; D98-W158 PolarHBondContact OD2-N 3.09Å; V100-W158 HydrophobicContact CG2-CB 3.99Å; V100-W158 HydrophobicContact CG2-CE3 3.94Å; Y102-W158 HydrophobicContact CE1-CE3 4.07Å; Y102-W158 AromaticContact CE1-CZ3 3.98Å; Y102-W158 HydrophobicContact CE1-CZ3 3.98Å; Y102-W158 HydrophobicContact CE2-CE3 4.14Å; Y102-W158 AromaticContact CZ-CE3 3.71Å
159T91.6Very high93.9Very high94 Ų9440 Ų4058%0.57720%0.198SC*.SBendtrans-105.5-28.5-175.556.60000114.1D98D98-T159 VanDerWaalsContact CG-OG1 3.28Å; D98-T159 VanDerWaalsContact OD2-CB 3.25Å; D98-T159 WeakPolarHBondContact OD2-CB 3.3Å; D98-T159 VanDerWaalsContact OD2-CG2 3.3Å; D98-T159 WeakPolarHBondContact OD2-CG2 3.36Å; D98-T159 PolarHBondContact OD2-N 3Å; D98-T159 PolarHBondContact OD2-OG1 3.33Å
160Y92.4Very high93.8Very high37 Ų3745 Ų4515%0.14522%0.22CC..  trans-99.6139.9-177.6-60.4-74.1000112.6R29 W95 D98 S157 E164 I165R29-Y160 HydrophobicContact CB-CE1 4.34Å; W95-Y160 AromaticContact CZ2-CE2 3.92Å; W95-Y160 HydrophobicContact CZ2-CE2 3.92Å; W95-Y160 AromaticContact NE1-CE2 4Å; W95-Y160 AromaticContact NE1-CZ 3.72Å; W95-Y160 PolarHBondContact NE1-OH 3.35Å; D98-Y160 WeakPolarHBondContact OD1-CD2 3.42Å; S157-Y160 WeakPolarHBondContact CB-O 3.41Å; S157-Y160 PolarHBondContact OG-O 3.19Å; Y160-E164 HydrophobicContact CD1-CB 4.27Å; Y160-E164 WeakPolarHBondContact CD1-OE2 3.45Å; Y160-I165 HydrophobicContact CD1-CD1 4.35Å; Y160-I165 HydrophobicContact CD1-CG1 4.48Å; Y160-I165 HydrophobicContact CD2-CD1 3.36Å; Y160-I165 HydrophobicContact CD2-CG1 4.29Å; Y160-I165 HydrophobicContact CE2-CD1 4.08Å; Y160-I165 HydrophobicContact CG-CD1 3.51Å; Y160-I165 HydrophobicContact CG-CG1 3.94Å
161D91.7Very high93.7Very high59 Ų5942.6 Ų42.632%0.31621%0.21SC..  trans-95.4168.7173.5-74.4-37000112.8R156 T163 E164 I165R156-D161 IonicContact NH2-OD1 3.28Å; R156-D161 PolarHBondContact NH2-OD1 2.69Å; D161-T163 PolarHBondContact O-N 2.79Å; D161-E164 PolarHBondContact O-N 3.28Å; D161-I165 PolarHBondContact O-N 3.36Å
162H92.2Very high93.4Very high23 Ų2350.3 Ų50.311%0.10625%0.246CC..THydrogen-bonded Turntrans-55.6-16.5175.1178.1-134.8000114.4R37 E164 I165 D166 P201 T202 V204R37-H162 VanDerWaalsContact CD-O 3.31Å; R37-H162 WeakPolarHBondContact CD-O 3.39Å; R37-H162 PolarHBondContact NE-O 2.93Å; R37-H162 PolarHBondContact NH1-NE2 2.9Å; R37-H162 PolarHBondContact NH1-O 3.44Å; H162-E164 VanDerWaalsContact C-N 3.34Å; H162-I165 VanDerWaalsContact CA-O 3.29Å; H162-I165 WeakPolarHBondContact CA-O 3.29Å; H162-D166 IonicContact CD2-OD1 2.72Å; H162-P201 PolarHBondContact ND1-O 3.17Å; H162-T202 WeakPolarHBondContact CB-O 3.48Å; H162-T202 PolarHBondContact N-O 3.43Å; H162-V204 HydrophobicContact CB-CB 3.97Å; H162-V204 HydrophobicContact CB-CG1 3.73Å
163T90.4Very high93.3Very high68 Ų6852.8 Ų52.842%0.41726%0.261SS..THydrogen-bonded Turntrans-76.7-17.8173.950.70000113.5R37 D161R37-T163 WeakPolarHBondContact CG-O 3.5Å; D161-T163 PolarHBondContact O-N 2.79Å
164E92.8Very high93.2Very high65 Ų6553.1 Ų53.130%0.30426%0.263SS..THydrogen-bonded Turntrans-120.1-35.1-175.5-61.9-156.799.700113.6R29 R37 V38 Y160 D161 H162R29-E164 IonicContact CZ-OE1 3.57Å; R29-E164 IonicContact NE-OE1 2.81Å; R29-E164 PolarHBondContact NE-OE1 3.21Å; R29-E164 PolarHBondContact NH1-O 2.94Å; R29-E164 IonicContact NH2-OE1 3.17Å; R29-E164 PolarHBondContact NH2-OE1 2.97Å; R37-E164 WeakPolarHBondContact CA-O 3.47Å; V38-E164 PolarHBondContact N-O 2.89Å; Y160-E164 HydrophobicContact CD1-CB 4.27Å; Y160-E164 WeakPolarHBondContact CD1-OE2 3.45Å; D161-E164 PolarHBondContact O-N 3.28Å; H162-E164 VanDerWaalsContact C-N 3.34Å
165I94Very high93.1Very high0 Ų050.5 Ų50.50%025%0.254CS..EExtended strand (participates in β ladder)trans-124.8134.5174.9-65.6-171.2000108.9V38 V40 W95 P97 Y160 D161 H162 L167V38-I165 HydrophobicContact CB-CG1 4.44Å; V38-I165 WeakPolarHBondContact O-CA 3.01Å; V40-I165 HydrophobicContact CB-CG2 4.41Å; V40-I165 HydrophobicContact CG2-CG2 3.85Å; W95-I165 HydrophobicContact CH2-CD1 3.84Å; W95-I165 HydrophobicContact CZ2-CD1 3.84Å; P97-I165 HydrophobicContact CB-CD1 4.15Å; Y160-I165 HydrophobicContact CD1-CD1 4.35Å; Y160-I165 HydrophobicContact CD1-CG1 4.48Å; Y160-I165 HydrophobicContact CD2-CD1 3.36Å; Y160-I165 HydrophobicContact CD2-CG1 4.29Å; Y160-I165 HydrophobicContact CE2-CD1 4.08Å; Y160-I165 HydrophobicContact CG-CD1 3.51Å; Y160-I165 HydrophobicContact CG-CG1 3.94Å; D161-I165 PolarHBondContact O-N 3.36Å; H162-I165 VanDerWaalsContact CA-O 3.29Å; H162-I165 WeakPolarHBondContact CA-O 3.29Å; I165-L167 HydrophobicContact CG2-CD2 3.82Å; I165-L167 HydrophobicContact CG2-CG 4.34Å
166D94.6Very high92.9Very high28 Ų2853.9 Ų53.915%0.1527%0.27CS..EExtended strand (participates in β ladder)trans-107.3119.6168.8-168.76.5000110.2V38 T39 V40 H162 R194V38-D166 PolarHBondContact O-N 2.85Å; T39-D166 WeakPolarHBondContact CA-O 3.29Å; V40-D166 PolarHBondContact N-O 3.03Å; H162-D166 IonicContact CD2-OD1 2.72Å; D166-R194 IonicContact OD1-CZ 2.78Å; D166-R194 IonicContact OD1-NE 2.68Å; D166-R194 IonicContact OD1-NH2 3.57Å; D166-R194 PolarHBondContact OD1-NH2 3.19Å; D166-R194 IonicContact OD2-NH2 2.78Å
167L95.2Very high92.7Very high0 Ų059 Ų590%030%0.3CS..EExtended strand (participates in β ladder)trans-91.7121.9177.7-60.3-179.4000109.7V40 I99 I165 R194 V204 L206V40-L167 HydrophobicContact CB-CD2 4.14Å; I99-L167 HydrophobicContact CD1-CD2 3.82Å; I99-L167 HydrophobicContact CG1-CD2 4.26Å; I165-L167 HydrophobicContact CG2-CD2 3.82Å; I165-L167 HydrophobicContact CG2-CG 4.34Å; L167-R194 VanDerWaalsContact O-CD 3.28Å; L167-R194 WeakPolarHBondContact O-CD 3.05Å; L167-R194 PolarHBondContact O-NE 2.87Å; L167-V204 HydrophobicContact CB-CG1 4.47Å; L167-V204 HydrophobicContact CB-CG2 4.14Å; L167-V204 HydrophobicContact CD1-CG1 4.24Å; L167-V204 HydrophobicContact CG-CG1 4.22Å; L167-L206 HydrophobicContact CB-CD1 3.89Å; L167-L206 HydrophobicContact CB-CD2 4.33Å; L167-L206 HydrophobicContact CB-CG 3.88Å
168I95.9Very high92.5Very high59 Ų5964.2 Ų64.230%0.30333%0.328SS..EExtended strand (participates in β ladder)trans-127.6140.2-178.4-52.7-173.3000109.6T39 V40 K41 L42T39-I168 HydrophobicContact CG2-CD1 3.51Å; T39-I168 HydrophobicContact CG2-CG1 4.07Å; V40-I168 PolarHBondContact O-N 3.26Å; K41-I168 CarbonylContact C-O 3.6Å; K41-I168 VanDerWaalsContact CA-O 3.29Å; K41-I168 WeakPolarHBondContact CA-O 3.41Å; L42-I168 PolarHBondContact N-O 2.94Å
169L95.3Very high92.6Very high35 Ų3559.9 Ų59.918%0.18331%0.313CS..EExtended strand (participates in β ladder)trans-71.7135.7171-63.5102000110.7G192 R194 L206 Y208L169-G192 VanDerWaalsContact CD2-C 3.4Å; L169-R194 HydrophobicContact CD1-CB 3.65Å; L169-L206 HydrophobicContact CD1-CD2 3.73Å; L169-L206 HydrophobicContact CG-CD2 4.05Å; L169-Y208 HydrophobicContact CD2-CE1 4.2Å
170K93.2Very high92.6Very high109 Ų10958.6 Ų58.647%0.47431%0.306SS..SBendtrans-77.9-28.1169.7-174.6176.2160.4-142.60112K41 L42 Q43K41-K170 HydrophobicContact CB-CB 4.41Å; L42-K170 PolarHBondContact O-N 2.78Å; Q43-K170 HydrophobicContact CB-CB 4Å; Q43-K170 HydrophobicContact CB-CD 4.21Å; Q43-K170 HydrophobicContact CG-CB 4.27Å; Q43-K170 VanDerWaalsContact OE1-CE 3.29Å
171S91.9Very high92.6Very high35 Ų3561.9 Ų61.925%0.24533%0.331CS..SBendtrans-144.4145.2172.157.30000110.4Q43 V173Q43-S171 WeakPolarHBondContact CG-OG 3.39Å; Q43-S171 PolarHBondContact NE2-OG 3.15Å; S171-V173 PolarHBondContact O-N 3.06Å; S171-V173 PolarHBondContact OG-O 2.87Å
172E91.4Very high92.6Very high164 Ų16460.2 Ų60.277%0.76632%0.324SS*.SBendtrans-71.5-13.1179.4-61.8-177.1166.400113.6G192E172-G192 PolarHBondContact O-N 3.06Å
173V93.3Very high92.6Very high82 Ų8262.7 Ų62.750%0.49736%0.356SS..BIsolated β-bridgetrans-126.2143.1177-171.70000108.1S171 L190S171-V173 PolarHBondContact O-N 3.06Å; S171-V173 PolarHBondContact OG-O 2.87Å; V173-L190 WeakPolarHBondContact CG1-O 3.29Å
174A93.4Very high92.6Very high6 Ų662.5 Ų62.55%0.0535%0.35CS..  trans-66.5141.9171.300000110.7V44 L190 Y208V44-A174 HydrophobicContact CB-CB 4.38Å; V44-A174 HydrophobicContact CG1-CB 4.45Å; V44-A174 CarbonylContact O-C 3.56Å; V44-A174 VanDerWaalsContact O-CA 3.3Å; V44-A174 WeakPolarHBondContact O-CA 3.29Å; V44-A174 WeakPolarHBondContact O-CB 3.3Å; A174-L190 HydrophobicContact CB-CB 3.79Å; A174-L190 HydrophobicContact CB-CD1 4Å; A174-L190 PolarHBondContact N-O 2.91Å; A174-Y208 HydrophobicContact CB-CD1 3.89Å; A174-Y208 HydrophobicContact CB-CE1 4.03Å
175S93.4Very high92.7Very high15 Ų1559.6 Ų59.611%0.10534%0.337CS..BIsolated β-bridgetrans-74.9143.7176.8141.40000110.7V44 S45 L46 D177V44-S175 PolarHBondContact O-N 2.88Å; S45-S175 CarbonylContact C-O 3.29Å; S45-S175 WeakPolarHBondContact CA-O 3.49Å; S45-S175 VanDerWaalsContact OG-CB 3.29Å; S45-S175 WeakPolarHBondContact OG-CB 3.32Å; S45-S175 PolarHBondContact OG-OG 3.24Å; S45-S175 VanDerWaalsContact OG-OG 3.06Å; L46-S175 PolarHBondContact N-O 3.23Å; S175-D177 WeakPolarHBondContact CB-OD2 3.37Å; S175-D177 PolarHBondContact OG-N 3.1Å; S175-D177 PolarHBondContact OG-OD2 3.15Å
176M90.9Very high92.7Very high71 Ų7163 Ų6335%0.3536%0.355SS..  trans-12119.8175.4-64-177.1-177.500111.4D178 F179 I187 L190M176-D178 VanDerWaalsContact C-N 3.28Å; M176-D178 PolarHBondContact O-N 2.95Å; M176-F179 HydrophobicContact CB-CB 3.89Å; M176-F179 WeakPolarHBondContact O-CB 3.2Å; M176-F179 PolarHBondContact O-N 3.37Å; M176-I187 HydrophobicContact CE-CB 4.22Å; M176-I187 HydrophobicContact CE-CG2 3.62Å; M176-L190 HydrophobicContact CE-CB 4.21Å; M176-L190 HydrophobicContact CE-CD1 3.42Å; M176-L190 VanDerWaalsContact CE-CD1 3.42Å; M176-L190 HydrophobicContact CE-CG 3.47Å; M176-L190 VanDerWaalsContact CE-CG 3.47Å; M176-L190 HydrophobicContact CG-CD1 4.12Å
177D88.8Confident92.7Very high141 Ų14163.1 Ų63.175%0.75436%0.355SS*.THydrogen-bonded Turntrans-62.9-35.3-167.5-55.4-53.7000112.4S175S175-D177 WeakPolarHBondContact CB-OD2 3.37Å; S175-D177 PolarHBondContact OG-N 3.1Å; S175-D177 PolarHBondContact OG-OD2 3.15Å
178D88.8Confident92.6Very high111 Ų11167.4 Ų67.459%0.59438%0.378SS*.THydrogen-bonded Turntrans-105.227.8174.8-69.1-45.9000112.6M176M176-D178 VanDerWaalsContact C-N 3.28Å; M176-D178 PolarHBondContact O-N 2.95Å
179F92.5Very high92.5Very high55 Ų5566.4 Ų66.424%0.24138%0.379CS..PPolyproline II helixtrans-75.4128.3-174.9176.3-116000113.6L46 M176 P181 I187L46-F179 HydrophobicContact CD2-CD2 3.94Å; L46-F179 HydrophobicContact CD2-CE2 3.85Å; L46-F179 HydrophobicContact CG-CD2 4.03Å; L46-F179 HydrophobicContact CG-CE2 4.3Å; M176-F179 HydrophobicContact CB-CB 3.89Å; M176-F179 WeakPolarHBondContact O-CB 3.2Å; M176-F179 PolarHBondContact O-N 3.37Å; F179-P181 HydrophobicContact CE1-CB 4.17Å; F179-I187 HydrophobicContact CD2-CD1 4.37Å; F179-I187 HydrophobicContact CE1-CD1 4.25Å; F179-I187 HydrophobicContact CE2-CD1 3.5Å; F179-I187 VanDerWaalsContact CE2-CD1 3.5Å; F179-I187 HydrophobicContact CZ-CD1 3.42Å; F179-I187 VanDerWaalsContact CZ-CD1 3.42Å; F179-I187 HydrophobicContact CZ-CG1 4Å
180T92.7Very high92.5Very high68 Ų6864.9 Ų64.942%0.41737%0.37SS..BIsolated β-bridgetrans-98.2120.2169.6520000111.1A47 Q48A47-T180 PolarHBondContact O-N 2.85Å; A47-T180 PolarHBondContact O-OG1 2.95Å; Q48-T180 WeakPolarHBondContact CB-OG1 3.29Å; Q48-T180 WeakPolarHBondContact CG-OG1 3.46Å
181P92.1Very high92.6Very high105 Ų10562 Ų6268%0.68236%0.363SS*.PPolyproline II helixtrans-68.8139.3-174.127-34.5000112.6F179F179-P181 HydrophobicContact CE1-CB 4.17Å
182S92.1Very high92.8Very high24 Ų2461 Ų6117%0.16836%0.358CS..PPolyproline II helixtrans-80147.6177.1-1770000112E184 K215S182-E184 VanDerWaalsContact C-N 3.34Å; S182-E184 PolarHBondContact OG-N 3.38Å; S182-K215 PolarHBondContact O-NZ 2.81Å
183G91.3Very high93Very high76 Ų7658.9 Ų58.978%0.78434%0.343SS*.SBendtrans-73.3-22.1176.500000114.2K215G183-K215 VanDerWaalsContact O-CD 3.25Å; G183-K215 WeakPolarHBondContact O-CD 3.09Å
184E91.3Very high93.1Very high63 Ų6359.7 Ų59.729%0.29434%0.337SS..SBendtrans-110.6-30.5-176.6-176.2173.4-170.500113.6S182 R214 K215 Y219S182-E184 VanDerWaalsContact C-N 3.34Å; S182-E184 PolarHBondContact OG-N 3.38Å; E184-R214 HydrophobicContact CG-CG 4.35Å; E184-R214 IonicContact OE1-CZ 3.07Å; E184-R214 IonicContact OE1-NH1 3.39Å; E184-R214 PolarHBondContact OE1-NH1 2.93Å; E184-K215 VanDerWaalsContact O-CB 3.32Å; E184-K215 WeakPolarHBondContact O-CB 3.12Å; E184-K215 PolarHBondContact O-N 3.01Å; E184-Y219 WeakPolarHBondContact OE1-CE2 3.33Å; E184-Y219 PolarHBondContact OE1-OH 2.93Å; E184-Y219 VanDerWaalsContact OE1-OH 3.08Å
185W94.8Very high93.1Very high5 Ų562.2 Ų62.22%0.01935%0.352CS..EExtended strand (participates in β ladder)trans-119.4139.2-173.6-65.492.5000111.4L49 V52 Q149 I212 R214 K215L49-W185 HydrophobicContact CD2-CB 3.75Å; L49-W185 HydrophobicContact CD2-CG 4.21Å; V52-W185 HydrophobicContact CB-CZ2 4.11Å; V52-W185 HydrophobicContact CG1-CZ2 4.22Å; V52-W185 HydrophobicContact CG2-CD2 4.47Å; Q149-W185 HydrophobicContact CB-CZ3 4.42Å; Q149-W185 HydrophobicContact CG-CH2 3.66Å; Q149-W185 HydrophobicContact CG-CZ3 3.79Å; W185-I212 HydrophobicContact CD2-CD1 4Å; W185-I212 HydrophobicContact CE3-CB 4.06Å; W185-I212 HydrophobicContact CE3-CD1 3.68Å; W185-I212 HydrophobicContact CE3-CG1 3.73Å; W185-I212 HydrophobicContact CZ3-CD1 4.01Å; W185-I212 HydrophobicContact CZ3-CG1 3.95Å; W185-R214 HydrophobicContact CE3-CB 4.18Å; W185-R214 HydrophobicContact CH2-CB 4.17Å; W185-R214 VanDerWaalsContact CH2-NH2 3.33Å; W185-R214 VanDerWaalsContact CZ2-CZ 3.47Å; W185-R214 HydrophobicContact CZ3-CB 3.88Å; W185-K215 PolarHBondContact O-NZ 2.89Å; W185-K215 VanDerWaalsContact O-NZ 3.16Å
186D94.1Very high93Very high71 Ų7164 Ų6438%0.3836%0.362SS..EExtended strand (participates in β ladder)trans-104.3140.2165.1-71.4-49.5000109.2I212 K213 K215D186-I212 CarbonylContact O-C 3.58Å; D186-I212 VanDerWaalsContact O-CA 3.3Å; D186-I212 WeakPolarHBondContact O-CA 3.45Å; D186-K213 PolarHBondContact N-O 3.17Å; D186-K213 PolarHBondContact O-N 2.87Å; D186-K215 VanDerWaalsContact CG-CE 3.45Å; D186-K215 VanDerWaalsContact CG-NZ 3.29Å; D186-K215 WeakPolarHBondContact OD1-CE 3.37Å; D186-K215 IonicContact OD1-NZ 3.1Å; D186-K215 PolarHBondContact OD1-NZ 2.78Å; D186-K215 WeakPolarHBondContact OD2-CE 3.5Å; D186-K215 WeakPolarHBondContact OD2-CG 3.46Å; D186-K215 IonicContact OD2-NZ 3.37Å
187I94.2Very high92.9Very high30 Ų3063.5 Ų63.515%0.15436%0.361CS..EExtended strand (participates in β ladder)trans-96.8122.5177-49.8-176.2000107.9L46 M176 F179 L190 I212L46-I187 HydrophobicContact CD2-CD1 3.25Å; M176-I187 HydrophobicContact CE-CB 4.22Å; M176-I187 HydrophobicContact CE-CG2 3.62Å; F179-I187 HydrophobicContact CD2-CD1 4.37Å; F179-I187 HydrophobicContact CE1-CD1 4.25Å; F179-I187 HydrophobicContact CE2-CD1 3.5Å; F179-I187 VanDerWaalsContact CE2-CD1 3.5Å; F179-I187 HydrophobicContact CZ-CD1 3.42Å; F179-I187 VanDerWaalsContact CZ-CD1 3.42Å; F179-I187 HydrophobicContact CZ-CG1 4Å; I187-L190 HydrophobicContact CG2-CD1 4.32Å; I187-L190 HydrophobicContact CG2-CD2 3.66Å; I187-L190 HydrophobicContact CG2-CG 3.74Å; I187-I212 HydrophobicContact CG1-CG2 4.17Å; I187-I212 HydrophobicContact CG2-CG2 4.37Å
188L92.8Very high92.7Very high90 Ų9063 Ų6347%0.47137%0.365SS..EExtended strand (participates in β ladder)trans-90.3-44.5-179.8-57.6-176.5000111.3I211 K213L188-I211 HydrophobicContact CB-CG2 4.21Å; L188-I211 WeakPolarHBondContact CB-O 3.32Å; L188-I211 HydrophobicContact CD1-CG2 4.29Å; L188-I211 PolarHBondContact N-O 3.31Å; L188-K213 HydrophobicContact CD1-CB 4.03Å; L188-K213 HydrophobicContact CD1-CD 4.48Å; L188-K213 HydrophobicContact CD2-CB 4.25Å; L188-K213 HydrophobicContact CG-CB 4.12Å
189A93.6Very high92.7Very high39 Ų3965.3 Ų65.332%0.32238%0.377SS..EExtended strand (participates in β ladder)trans-157.1148.817900000111.8I211A189-I211 HydrophobicContact CB-CB 4.44Å; A189-I211 HydrophobicContact CB-CD1 4.36Å; A189-I211 PolarHBondContact N-O 2.85Å; A189-I211 PolarHBondContact O-N 3.36Å; A189-I211 VanDerWaalsContact O-N 3.09Å
190L95.4Very high92.5Very high2 Ų265.2 Ų65.21%0.0138%0.379CS..  trans-127.662.3174.1-61.9-179.2000112.7L46 V173 A174 M176 I187 D209 F210L46-L190 HydrophobicContact CB-CD1 4.16Å; L46-L190 HydrophobicContact CD2-CD1 3.82Å; V173-L190 WeakPolarHBondContact CG1-O 3.29Å; A174-L190 HydrophobicContact CB-CB 3.79Å; A174-L190 HydrophobicContact CB-CD1 4Å; A174-L190 PolarHBondContact N-O 2.91Å; M176-L190 HydrophobicContact CE-CB 4.21Å; M176-L190 HydrophobicContact CE-CD1 3.42Å; M176-L190 VanDerWaalsContact CE-CD1 3.42Å; M176-L190 HydrophobicContact CE-CG 3.47Å; M176-L190 VanDerWaalsContact CE-CG 3.47Å; M176-L190 HydrophobicContact CG-CD1 4.12Å; I187-L190 HydrophobicContact CG2-CD1 4.32Å; I187-L190 HydrophobicContact CG2-CD2 3.66Å; I187-L190 HydrophobicContact CG2-CG 3.74Å; L190-D209 WeakPolarHBondContact CA-O 3.21Å; L190-F210 HydrophobicContact CD2-CB 4.1Å; L190-F210 HydrophobicContact CD2-CD1 3.39Å; L190-F210 HydrophobicContact CD2-CD2 4.07Å; L190-F210 HydrophobicContact CD2-CE1 3.72Å; L190-F210 HydrophobicContact CD2-CE2 4.33Å; L190-F210 HydrophobicContact CD2-CG 3.58Å; L190-F210 HydrophobicContact CD2-CZ 4.17Å
191P96.8Very high92.2Very high49 Ų4966.5 Ų66.532%0.31839%0.388SS..BIsolated β-bridgetrans-69.6140178.330.7-33.7000111.3D209P191-D209 WeakPolarHBondContact CD-O 3.34Å; P191-D209 HydrophobicContact CG-CB 4.15Å; P191-D209 PolarHBondContact O-N 3.23Å
192G95.8Very high92Very high13 Ų1363.4 Ų63.413%0.13437%0.367CS..EExtended strand (participates in β ladder)trans-105.5133.9171.600000110.9L169 E172L169-G192 VanDerWaalsContact CD2-C 3.4Å; E172-G192 PolarHBondContact O-N 3.06Å
193R95.1Very high92Very high121 Ų12165.3 Ų65.346%0.45737%0.371SS..EExtended strand (participates in β ladder)trans-131.1141.4-179.853.4178.1167.8167.4-4.7111.6T207 D209R193-T207 WeakPolarHBondContact CG-O 3.47Å; R193-T207 PolarHBondContact N-O 2.03Å; R193-T207 PolarHBondContact O-N 2.82Å; R193-D209 IonicContact CZ-OD1 2.88Å; R193-D209 IonicContact CZ-OD2 2.77Å; R193-D209 IonicContact NE-OD1 3.66Å; R193-D209 PolarHBondContact NE-OD1 2.72Å; R193-D209 IonicContact NE-OD2 3.83Å; R193-D209 PolarHBondContact NE-OD2 2.85Å; R193-D209 VanDerWaalsContact NH2-CG 3.26Å; R193-D209 IonicContact NH2-OD1 3.74Å; R193-D209 PolarHBondContact NH2-OD1 2.85Å; R193-D209 IonicContact NH2-OD2 3.01Å; R193-D209 PolarHBondContact NH2-OD2 2.83Å
194R94.9Very high92.1Very high99 Ų9961.8 Ų61.837%0.37433%0.334SS..EExtended strand (participates in β ladder)trans-97.6120172.5177.8173.2-178.3-92.53108.4D166 L167 L169 V196 V204 D205 L206D166-R194 IonicContact OD1-CZ 2.78Å; D166-R194 IonicContact OD1-NE 2.68Å; D166-R194 IonicContact OD1-NH2 3.57Å; D166-R194 PolarHBondContact OD1-NH2 3.19Å; D166-R194 IonicContact OD2-NH2 2.78Å; L167-R194 VanDerWaalsContact O-CD 3.28Å; L167-R194 WeakPolarHBondContact O-CD 3.05Å; L167-R194 PolarHBondContact O-NE 2.87Å; L169-R194 HydrophobicContact CD1-CB 3.65Å; R194-V196 HydrophobicContact CG-CG2 4.44Å; R194-V204 HydrophobicContact CG-CG2 4.41Å; R194-D205 WeakPolarHBondContact CA-O 3.38Å; R194-L206 HydrophobicContact CB-CD2 3.65Å; R194-L206 HydrophobicContact CG-CD2 3.78Å
195T93.1Very high92.2Very high59 Ų5958.9 Ų58.936%0.36232%0.321SS..EExtended strand (participates in β ladder)trans-104.6130.7173-24.50000109.3V204 D205T195-V204 WeakPolarHBondContact O-CA 3.36Å; T195-D205 WeakPolarHBondContact CB-OD1 3.39Å; T195-D205 PolarHBondContact N-O 3Å; T195-D205 PolarHBondContact O-N 2.64Å; T195-D205 PolarHBondContact OG1-OD1 3.07Å
196V92Very high92.3Very high53 Ų5358.7 Ų58.732%0.32132%0.32SS..EExtended strand (participates in β ladder)trans-123130168.3177.90000106.1R194 P198 V204R194-V196 HydrophobicContact CG-CG2 4.44Å; V196-P198 WeakPolarHBondContact O-CD 3.26Å; V196-V204 HydrophobicContact CG2-CG2 4.19Å
197N88.3Confident92.4Very high60 Ų6055.3 Ų55.332%0.32130%0.302SS..EExtended strand (participates in β ladder)trans-85.3119.3-178.5-172.4-7.5000109.9L199 D200 Y203N197-L199 PolarHBondContact O-N 2.8Å; N197-L199 WeakPolarHBondContact OD1-CB 3.25Å; N197-L199 PolarHBondContact OD1-N 3.16Å; N197-D200 HydrophobicContact CB-CB 4.17Å; N197-D200 CarbonylContact O-C 3.58Å; N197-D200 VanDerWaalsContact O-C 3.29Å; N197-D200 PolarHBondContact O-N 2.9Å; N197-Y203 HydrophobicContact CB-CD1 4.08Å; N197-Y203 HydrophobicContact CB-CG 4.04Å
198P85.4Confident92.5Very high129 Ų12953.9 Ų53.984%0.83830%0.295SS*.THydrogen-bonded Turntrans-63.3-24177.6-22.134.5000113.7V196V196-P198 WeakPolarHBondContact O-CD 3.26Å
199L88.3Confident92.7Very high161 Ų16150.4 Ų50.484%0.84328%0.277SS*.THydrogen-bonded Turntrans-86.1-20179.4-61.1171.9000113.1N197N197-L199 PolarHBondContact O-N 2.8Å; N197-L199 WeakPolarHBondContact OD1-CB 3.25Å; N197-L199 PolarHBondContact OD1-N 3.16Å
200D89.6Confident92.8Very high53 Ų5348.5 Ų48.528%0.28326%0.261SS..EExtended strand (participates in β ladder)trans-131.795.6179.91775.6000109.4N197 T202 Y203N197-D200 HydrophobicContact CB-CB 4.17Å; N197-D200 CarbonylContact O-C 3.58Å; N197-D200 VanDerWaalsContact O-C 3.29Å; N197-D200 PolarHBondContact O-N 2.9Å; D200-T202 VanDerWaalsContact CG-OG1 3.31Å; D200-T202 PolarHBondContact O-N 3.39Å; D200-T202 VanDerWaalsContact O-N 3.1Å; D200-T202 WeakPolarHBondContact OD1-CB 3.2Å; D200-T202 PolarHBondContact OD1-N 2.86Å; D200-T202 PolarHBondContact OD1-OG1 2.81Å; D200-T202 PolarHBondContact OD2-OG1 2.96Å; D200-Y203 WeakPolarHBondContact O-CB 3.49Å; D200-Y203 PolarHBondContact O-N 2.89Å
201P84.7Confident92.8Very high94 Ų9450.9 Ų50.961%0.6127%0.274SS*.EExtended strand (participates in β ladder)trans-68.1-10-175.929.3-35.7000113.7H162H162-P201 PolarHBondContact ND1-O 3.17Å
202T89.2Confident92.7Very high41 Ų4148.6 Ų48.625%0.25226%0.258SS..EExtended strand (participates in β ladder)trans-81.9-20.2174.674.50000112.5H162 D200 V204H162-T202 WeakPolarHBondContact CB-O 3.48Å; H162-T202 PolarHBondContact N-O 3.43Å; D200-T202 VanDerWaalsContact CG-OG1 3.31Å; D200-T202 PolarHBondContact O-N 3.39Å; D200-T202 VanDerWaalsContact O-N 3.1Å; D200-T202 WeakPolarHBondContact OD1-CB 3.2Å; D200-T202 PolarHBondContact OD1-N 2.86Å; D200-T202 PolarHBondContact OD1-OG1 2.81Å; D200-T202 PolarHBondContact OD2-OG1 2.96Å; T202-V204 PolarHBondContact O-N 2.93Å
203Y90.8Very high92.6Very high64 Ų6452.6 Ų52.625%0.25127%0.272SS..EExtended strand (participates in β ladder)trans-81118.1-174-167.3-79.4000112.4N197 D200 D205N197-Y203 HydrophobicContact CB-CD1 4.08Å; N197-Y203 HydrophobicContact CB-CG 4.04Å; D200-Y203 WeakPolarHBondContact O-CB 3.49Å; D200-Y203 PolarHBondContact O-N 2.89Å; Y203-D205 HydrophobicContact CE1-CB 4.05Å; Y203-D205 PolarHBondContact OH-OD2 2.83Å
204V93.4Very high92.6Very high1 Ų147 Ų471%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-135.9132.2162.564.30000109.4R156 H162 L167 R194 T195 V196 T202R156-V204 WeakPolarHBondContact CD-O 3.41Å; R156-V204 WeakPolarHBondContact CG-O 3.48Å; H162-V204 HydrophobicContact CB-CB 3.97Å; H162-V204 HydrophobicContact CB-CG1 3.73Å; L167-V204 HydrophobicContact CB-CG1 4.47Å; L167-V204 HydrophobicContact CB-CG2 4.14Å; L167-V204 HydrophobicContact CD1-CG1 4.24Å; L167-V204 HydrophobicContact CG-CG1 4.22Å; R194-V204 HydrophobicContact CG-CG2 4.41Å; T195-V204 WeakPolarHBondContact O-CA 3.36Å; V196-V204 HydrophobicContact CG2-CG2 4.19Å; T202-V204 PolarHBondContact O-N 2.93Å
205D94.5Very high92.4Very high3 Ų345.3 Ų45.32%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-135.2155.2168.985.2-22000111.5K154 R156 R194 T195 Y203 T207K154-D205 IonicContact NZ-OD2 2.6Å; R156-D205 HydrophobicContact CB-CB 4.22Å; R194-D205 WeakPolarHBondContact CA-O 3.38Å; T195-D205 WeakPolarHBondContact CB-OD1 3.39Å; T195-D205 PolarHBondContact N-O 3Å; T195-D205 PolarHBondContact O-N 2.64Å; T195-D205 PolarHBondContact OG1-OD1 3.07Å; Y203-D205 HydrophobicContact CE1-CB 4.05Å; Y203-D205 PolarHBondContact OH-OD2 2.83Å; D205-T207 PolarHBondContact OD2-OG1 3.4Å; D205-T207 VanDerWaalsContact OD2-OG1 3.13Å
206L96Very high92.3Very high0 Ų044.5 Ų44.50%024%0.242CC..EExtended strand (participates in β ladder)trans-113.7109.1169.5-60.3-175.9000107.6L42 F155 L167 L169 R194L42-L206 HydrophobicContact CB-CD1 3.5Å; L42-L206 VanDerWaalsContact CB-CD1 3.5Å; L42-L206 HydrophobicContact CD2-CB 4.29Å; L42-L206 HydrophobicContact CD2-CD1 3.76Å; L42-L206 HydrophobicContact CG-CD1 4.27Å; F155-L206 PolarHBondContact N-O 2.96Å; F155-L206 PolarHBondContact O-N 3.19Å; L167-L206 HydrophobicContact CB-CD1 3.89Å; L167-L206 HydrophobicContact CB-CD2 4.33Å; L167-L206 HydrophobicContact CB-CG 3.88Å; L169-L206 HydrophobicContact CD1-CD2 3.73Å; L169-L206 HydrophobicContact CG-CD2 4.05Å; R194-L206 HydrophobicContact CB-CD2 3.65Å; R194-L206 HydrophobicContact CG-CD2 3.78Å
207T96.3Very high92.2Very high1 Ų147.8 Ų47.81%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-101.3128177.6-65.60000109.6T152 L153 K154 R193 D205 D209T152-T207 HydrophobicContact CG2-CG2 4.25Å; L153-T207 CarbonylContact O-C 3.59Å; L153-T207 WeakPolarHBondContact O-CA 3.33Å; K154-T207 HydrophobicContact CG-CG2 4.2Å; R193-T207 WeakPolarHBondContact CG-O 3.47Å; R193-T207 PolarHBondContact N-O 2.03Å; R193-T207 PolarHBondContact O-N 2.82Å; D205-T207 PolarHBondContact OD2-OG1 3.4Å; D205-T207 VanDerWaalsContact OD2-OG1 3.13Å; T207-D209 VanDerWaalsContact CG2-OD1 3.32Å; T207-D209 WeakPolarHBondContact CG2-OD1 3.47Å
208Y96.9Very high92.4Very high0 Ų051 Ų510%027%0.269CS..EExtended strand (participates in β ladder)trans-103.7123.5165.7-72.4-93.2000109.2V44 T152 L153 F155 L169 A174V44-Y208 HydrophobicContact CB-CD1 4.33Å; V44-Y208 HydrophobicContact CB-CD2 4.22Å; V44-Y208 HydrophobicContact CB-CE1 4.11Å; V44-Y208 HydrophobicContact CB-CE2 4.01Å; V44-Y208 HydrophobicContact CB-CG 4.36Å; V44-Y208 HydrophobicContact CG2-CD2 3.61Å; V44-Y208 HydrophobicContact CG2-CE1 4.42Å; V44-Y208 HydrophobicContact CG2-CE2 3.41Å; V44-Y208 VanDerWaalsContact CG2-CE2 3.41Å; V44-Y208 HydrophobicContact CG2-CG 4.2Å; V44-Y208 PolarHBondContact N-OH 2.86Å; T152-Y208 CarbonylContact C-O 3.54Å; T152-Y208 WeakPolarHBondContact CA-O 3.35Å; L153-Y208 PolarHBondContact N-O 3.13Å; L153-Y208 PolarHBondContact O-N 2.95Å; F155-Y208 HydrophobicContact CD2-CD2 4.09Å; F155-Y208 HydrophobicContact CD2-CE2 4.48Å; F155-Y208 HydrophobicContact CE2-CD2 4.17Å; L169-Y208 HydrophobicContact CD2-CE1 4.2Å; A174-Y208 HydrophobicContact CB-CD1 3.89Å; A174-Y208 HydrophobicContact CB-CE1 4.03Å
209D96.3Very high92.6Very high16 Ų1646 Ų469%0.08623%0.233CC..EExtended strand (participates in β ladder)trans-91.9140.9177.7-57-36.3000109.9C151 T152 L190 P191 R193 T207C151-D209 CarbonylContact O-C 3.53Å; T152-D209 VanDerWaalsContact CG2-OD1 3.27Å; T152-D209 WeakPolarHBondContact CG2-OD1 3.33Å; L190-D209 WeakPolarHBondContact CA-O 3.21Å; P191-D209 WeakPolarHBondContact CD-O 3.34Å; P191-D209 HydrophobicContact CG-CB 4.15Å; P191-D209 PolarHBondContact O-N 3.23Å; R193-D209 IonicContact CZ-OD1 2.88Å; R193-D209 IonicContact CZ-OD2 2.77Å; R193-D209 IonicContact NE-OD1 3.66Å; R193-D209 PolarHBondContact NE-OD1 2.72Å; R193-D209 IonicContact NE-OD2 3.83Å; R193-D209 PolarHBondContact NE-OD2 2.85Å; R193-D209 VanDerWaalsContact NH2-CG 3.26Å; R193-D209 IonicContact NH2-OD1 3.74Å; R193-D209 PolarHBondContact NH2-OD1 2.85Å; R193-D209 IonicContact NH2-OD2 3.01Å; R193-D209 PolarHBondContact NH2-OD2 2.83Å; T207-D209 VanDerWaalsContact CG2-OD1 3.32Å; T207-D209 WeakPolarHBondContact CG2-OD1 3.47Å
210F96.1Very high92.5Very high0 Ų040.3 Ų40.30%021%0.205CC..EExtended strand (participates in β ladder)trans-118.491.1-175.7-80.1-113.8000108.4L46 M59 T61 N150 C151 L153 L190 I212L46-F210 HydrophobicContact CD1-CE1 4.11Å; L46-F210 HydrophobicContact CD2-CE1 4.04Å; M59-F210 HydrophobicContact CE-CB 4.21Å; M59-F210 HydrophobicContact CE-CD1 4.01Å; M59-F210 HydrophobicContact CE-CD2 4.05Å; M59-F210 HydrophobicContact CE-CE1 4.41Å; M59-F210 HydrophobicContact CE-CE2 4.46Å; M59-F210 HydrophobicContact CE-CG 3.83Å; M59-F210 HydrophobicContact SD-CB 4.16Å; M59-F210 HydrophobicContact SD-CD1 4.04Å; M59-F210 HydrophobicContact SD-CG 4.15Å; T61-F210 HydrophobicContact CG2-CE1 3.95Å; T61-F210 HydrophobicContact CG2-CZ 4.49Å; N150-F210 WeakPolarHBondContact CA-O 3.24Å; C151-F210 HydrophobicContact CB-CB 4.09Å; C151-F210 PolarHBondContact N-O 3.17Å; C151-F210 PolarHBondContact O-N 3.15Å; L153-F210 HydrophobicContact CB-CE2 4.3Å; L153-F210 HydrophobicContact CD1-CE2 3.53Å; L153-F210 HydrophobicContact CD1-CZ 3.61Å; L153-F210 HydrophobicContact CG-CD2 4.23Å; L153-F210 HydrophobicContact CG-CE2 3.61Å; L153-F210 HydrophobicContact CG-CZ 4.15Å; L190-F210 HydrophobicContact CD2-CB 4.1Å; L190-F210 HydrophobicContact CD2-CD1 3.39Å; L190-F210 HydrophobicContact CD2-CD2 4.07Å; L190-F210 HydrophobicContact CD2-CE1 3.72Å; L190-F210 HydrophobicContact CD2-CE2 4.33Å; L190-F210 HydrophobicContact CD2-CG 3.58Å; L190-F210 HydrophobicContact CD2-CZ 4.17Å; F210-I212 HydrophobicContact CB-CG2 4.5Å; F210-I212 PolarHBondContact O-N 3.39Å
211I95.8Very high92.6Very high52 Ų5242 Ų4227%0.26721%0.213SC..EExtended strand (participates in β ladder)trans-86.9103.3177.7-52.3-177.1000107.7L188 A189L188-I211 HydrophobicContact CB-CG2 4.21Å; L188-I211 WeakPolarHBondContact CB-O 3.32Å; L188-I211 HydrophobicContact CD1-CG2 4.29Å; L188-I211 PolarHBondContact N-O 3.31Å; A189-I211 HydrophobicContact CB-CB 4.44Å; A189-I211 HydrophobicContact CB-CD1 4.36Å; A189-I211 PolarHBondContact N-O 2.85Å; A189-I211 PolarHBondContact O-N 3.36Å; A189-I211 VanDerWaalsContact O-N 3.09Å
212I95.3Very high92.8Very high0 Ų041.6 Ų41.60%021%0.206CC..EExtended strand (participates in β ladder)trans-121.5149.7-173.863.1177.5000111.4L49 V52 Q148 Q149 W185 D186 I187 F210L49-I212 HydrophobicContact CD2-CD1 4.34Å; L49-I212 HydrophobicContact CD2-CG2 4.33Å; V52-I212 HydrophobicContact CG2-CD1 3.82Å; Q148-I212 CarbonylContact C-O 3.56Å; Q148-I212 VanDerWaalsContact CA-O 3.29Å; Q148-I212 WeakPolarHBondContact CA-O 3.17Å; Q149-I212 HydrophobicContact CB-CD1 4.27Å; Q149-I212 HydrophobicContact CB-CG1 3.84Å; Q149-I212 PolarHBondContact N-O 2.98Å; Q149-I212 PolarHBondContact O-N 2.83Å; W185-I212 HydrophobicContact CD2-CD1 4Å; W185-I212 HydrophobicContact CE3-CB 4.06Å; W185-I212 HydrophobicContact CE3-CD1 3.68Å; W185-I212 HydrophobicContact CE3-CG1 3.73Å; W185-I212 HydrophobicContact CZ3-CD1 4.01Å; W185-I212 HydrophobicContact CZ3-CG1 3.95Å; D186-I212 CarbonylContact O-C 3.58Å; D186-I212 VanDerWaalsContact O-CA 3.3Å; D186-I212 WeakPolarHBondContact O-CA 3.45Å; I187-I212 HydrophobicContact CG1-CG2 4.17Å; I187-I212 HydrophobicContact CG2-CG2 4.37Å; F210-I212 HydrophobicContact CB-CG2 4.5Å; F210-I212 PolarHBondContact O-N 3.39Å
213K93.9Very high92.7Very high97 Ų9740 Ų4042%0.42220%0.196SC..EExtended strand (participates in β ladder)trans-126.3135.2-178.9-175.7177.8179.6-178.30110.2Q148 D186 L188Q148-K213 HydrophobicContact CG-CB 4.27Å; Q148-K213 HydrophobicContact CG-CG 4.13Å; D186-K213 PolarHBondContact N-O 3.17Å; D186-K213 PolarHBondContact O-N 2.87Å; L188-K213 HydrophobicContact CD1-CB 4.03Å; L188-K213 HydrophobicContact CD1-CD 4.48Å; L188-K213 HydrophobicContact CD2-CB 4.25Å; L188-K213 HydrophobicContact CG-CB 4.12Å
214R93.6Very high92.5Very high5 Ų538.1 Ų38.12%0.01919%0.19CC..EExtended strand (participates in β ladder)trans-75.5144179.1-165.4-173.6-59.2-87.9-3.3111.8E54 P145 D147 E184 W185 P216E54-R214 IonicContact OE1-CZ 2.71Å; E54-R214 IonicContact OE1-NH1 2.64Å; E54-R214 PolarHBondContact OE1-NH1 3.49Å; E54-R214 IonicContact OE1-NH2 3.57Å; E54-R214 PolarHBondContact OE1-NH2 3.34Å; P145-R214 WeakPolarHBondContact O-CD 3.43Å; D147-R214 PolarHBondContact O-N 2.87Å; D147-R214 VanDerWaalsContact O-N 3.17Å; D147-R214 IonicContact OD1-CZ 2.65Å; D147-R214 IonicContact OD1-NE 2.65Å; D147-R214 PolarHBondContact OD1-NE 3.21Å; D147-R214 IonicContact OD1-NH2 3.27Å; D147-R214 IonicContact OD2-CZ 3.22Å; D147-R214 IonicContact OD2-NE 3.34Å; D147-R214 PolarHBondContact OD2-NE 3.23Å; D147-R214 IonicContact OD2-NH2 3.31Å; D147-R214 PolarHBondContact OD2-NH2 3Å; E184-R214 HydrophobicContact CG-CG 4.35Å; E184-R214 IonicContact OE1-CZ 3.07Å; E184-R214 IonicContact OE1-NH1 3.39Å; E184-R214 PolarHBondContact OE1-NH1 2.93Å; W185-R214 HydrophobicContact CE3-CB 4.18Å; W185-R214 HydrophobicContact CH2-CB 4.17Å; W185-R214 VanDerWaalsContact CH2-NH2 3.33Å; W185-R214 VanDerWaalsContact CZ2-CZ 3.47Å; W185-R214 HydrophobicContact CZ3-CB 3.88Å; R214-P216 WeakPolarHBondContact O-CD 3.25Å
215K92.3Very high92.2Very high63 Ų6342.1 Ų42.127%0.27421%0.21SC..  trans-83.7104.1163.5-68.4171.4169.3112.40109S182 G183 E184 W185 D186 L217S182-K215 PolarHBondContact O-NZ 2.81Å; G183-K215 VanDerWaalsContact O-CD 3.25Å; G183-K215 WeakPolarHBondContact O-CD 3.09Å; E184-K215 VanDerWaalsContact O-CB 3.32Å; E184-K215 WeakPolarHBondContact O-CB 3.12Å; E184-K215 PolarHBondContact O-N 3.01Å; W185-K215 PolarHBondContact O-NZ 2.89Å; W185-K215 VanDerWaalsContact O-NZ 3.16Å; D186-K215 VanDerWaalsContact CG-CE 3.45Å; D186-K215 VanDerWaalsContact CG-NZ 3.29Å; D186-K215 WeakPolarHBondContact OD1-CE 3.37Å; D186-K215 IonicContact OD1-NZ 3.1Å; D186-K215 PolarHBondContact OD1-NZ 2.78Å; D186-K215 WeakPolarHBondContact OD2-CE 3.5Å; D186-K215 WeakPolarHBondContact OD2-CG 3.46Å; D186-K215 IonicContact OD2-NZ 3.37Å; K215-L217 VanDerWaalsContact C-N 3.3Å; K215-L217 PolarHBondContact O-N 3.1Å
216P90.4Very high92Very high41 Ų4143.7 Ų43.727%0.26622%0.22SC..THydrogen-bonded Turntrans-77.8-9.4-165.331.6-38000114.6P145 F146 R214 F218 Y219 T220P145-P216 HydrophobicContact CG-CB 4.35Å; F146-P216 HydrophobicContact CD1-CB 3.67Å; F146-P216 HydrophobicContact CD1-CG 3.82Å; F146-P216 HydrophobicContact CE1-CB 3.54Å; F146-P216 HydrophobicContact CE1-CG 3.71Å; F146-P216 HydrophobicContact CZ-CB 4.4Å; R214-P216 WeakPolarHBondContact O-CD 3.25Å; P216-F218 PolarHBondContact O-N 3.26Å; P216-Y219 PolarHBondContact O-N 3.49Å; P216-Y219 VanDerWaalsContact O-N 3.12Å; P216-T220 PolarHBondContact O-N 3.35Å; P216-T220 PolarHBondContact O-OG1 3.1Å; P216-T220 VanDerWaalsContact O-OG1 3.07Å
217L90.1Very high91.5Very high122 Ų12243.8 Ų43.864%0.63922%0.221SC*.Hα-helixtrans-55.4-44.2-164.1-173152.3000113.5K215 T220 I221K215-L217 VanDerWaalsContact C-N 3.3Å; K215-L217 PolarHBondContact O-N 3.1Å; L217-T220 PolarHBondContact O-N 2.83Å; L217-I221 HydrophobicContact CD2-CD1 3.63Å; L217-I221 HydrophobicContact CD2-CG1 4.48Å; L217-I221 HydrophobicContact CG-CD1 4.21Å; L217-I221 WeakPolarHBondContact O-CG1 3.33Å; L217-I221 PolarHBondContact O-N 3.14Å
218F91.4Very high91Very high129 Ų12946.9 Ų46.957%0.56624%0.24SC*.Hα-helixtrans-59.4-48.5178.7177.8-96.1000112P216 N222P216-F218 PolarHBondContact O-N 3.26Å; F218-N222 VanDerWaalsContact CD2-ND2 3.31Å; F218-N222 WeakPolarHBondContact CD2-ND2 3.35Å; F218-N222 WeakPolarHBondContact CE2-ND2 3.41Å; F218-N222 WeakPolarHBondContact O-CB 3.49Å; F218-N222 PolarHBondContact O-N 2.92Å; F218-N222 PolarHBondContact O-ND2 3.34Å
219Y89.5Confident90.7Very high24 Ų2451.6 Ų51.69%0.09427%0.265CS..Hα-helixtrans-71.3-33.9179.1-61-79000112.3F144 P145 E184 P216 L223 I224 I268F144-Y219 HydrophobicContact CE1-CD1 4.26Å; F144-Y219 HydrophobicContact CE2-CE1 4.37Å; F144-Y219 AromaticContact CZ-CD1 3.64Å; F144-Y219 HydrophobicContact CZ-CD1 3.64Å; F144-Y219 AromaticContact CZ-CE1 3.69Å; F144-Y219 HydrophobicContact CZ-CE1 3.69Å; F144-Y219 HydrophobicContact CZ-CG 4.11Å; P145-Y219 HydrophobicContact CB-CD2 4.02Å; P145-Y219 HydrophobicContact CB-CG 3.92Å; E184-Y219 WeakPolarHBondContact OE1-CE2 3.33Å; E184-Y219 PolarHBondContact OE1-OH 2.93Å; E184-Y219 VanDerWaalsContact OE1-OH 3.08Å; P216-Y219 PolarHBondContact O-N 3.49Å; P216-Y219 VanDerWaalsContact O-N 3.12Å; Y219-L223 HydrophobicContact CD1-CD1 4.47Å; Y219-L223 WeakPolarHBondContact O-CA 3.37Å; Y219-L223 WeakPolarHBondContact O-CB 3.26Å; Y219-L223 PolarHBondContact O-N 3.18Å; Y219-I224 PolarHBondContact O-N 3.45Å; Y219-I268 HydrophobicContact CE1-CD1 4.46Å; Y219-I268 HydrophobicContact CE1-CG2 4.29Å
220T87.5Confident90.3Very high41 Ų4151.8 Ų51.825%0.25227%0.265SS..Iπ-helixtrans-61-48.9174.6-59.60000111.1P216 L217 I224 I225P216-T220 PolarHBondContact O-N 3.35Å; P216-T220 PolarHBondContact O-OG1 3.1Å; P216-T220 VanDerWaalsContact O-OG1 3.07Å; L217-T220 PolarHBondContact O-N 2.83Å; T220-I224 WeakPolarHBondContact O-CB 3.41Å; T220-I224 PolarHBondContact O-N 2.7Å; T220-I225 WeakPolarHBondContact O-CG1 3.44Å; T220-I225 PolarHBondContact O-N 2.84Å
221I91.4Very high89.7Confident89 Ų8952.1 Ų52.146%0.45627%0.268SS..Iπ-helixtrans-71.9-45.7-178.3-64.5177.2000111.7L217 P226L217-I221 HydrophobicContact CD2-CD1 3.63Å; L217-I221 HydrophobicContact CD2-CG1 4.48Å; L217-I221 HydrophobicContact CG-CD1 4.21Å; L217-I221 WeakPolarHBondContact O-CG1 3.33Å; L217-I221 PolarHBondContact O-N 3.14Å; I221-P226 VanDerWaalsContact O-CD 3.31Å; I221-P226 WeakPolarHBondContact O-CD 3.45Å
222N88.4Confident89.3Confident85 Ų8552.6 Ų52.646%0.45528%0.275SS..Iπ-helixtrans-90-14.7-170.1-64.6-34.8000114.5F218F218-N222 VanDerWaalsContact CD2-ND2 3.31Å; F218-N222 WeakPolarHBondContact CD2-ND2 3.35Å; F218-N222 WeakPolarHBondContact CE2-ND2 3.41Å; F218-N222 WeakPolarHBondContact O-CB 3.49Å; F218-N222 PolarHBondContact O-N 2.92Å; F218-N222 PolarHBondContact O-ND2 3.34Å
223L86.8Confident88.9Confident8 Ų856 Ų564%0.04229%0.293CS..Iπ-helixtrans-128.9-46.6-171.9-148.1157.1000112Y219 C227 L264 I265 I268 I279Y219-L223 HydrophobicContact CD1-CD1 4.47Å; Y219-L223 WeakPolarHBondContact O-CA 3.37Å; Y219-L223 WeakPolarHBondContact O-CB 3.26Å; Y219-L223 PolarHBondContact O-N 3.18Å; L223-C227 VanDerWaalsContact O-CB 3.23Å; L223-C227 WeakPolarHBondContact O-CB 3.48Å; L223-C227 PolarHBondContact O-N 3.48Å; L223-L264 HydrophobicContact CD1-CD2 3.59Å; L223-L264 HydrophobicContact CG-CD2 4.23Å; L223-I265 HydrophobicContact CD1-CD1 4.23Å; L223-I268 HydrophobicContact CD1-CD1 4.14Å; L223-I279 HydrophobicContact CD2-CD1 4.28Å; L223-I279 HydrophobicContact CD2-CG1 3.66Å
224I85.9Confident88.4Confident24 Ų2451.8 Ų51.812%0.12328%0.276CS..Iπ-helixtrans-73.8-52179.9-56-178.9000111.6P145 F146 Y219 T220 C227 V228P145-I224 HydrophobicContact CG-CD1 4.05Å; F146-I224 HydrophobicContact CE2-CD1 3.85Å; F146-I224 HydrophobicContact CZ-CD1 3.96Å; Y219-I224 PolarHBondContact O-N 3.45Å; T220-I224 WeakPolarHBondContact O-CB 3.41Å; T220-I224 PolarHBondContact O-N 2.7Å; I224-C227 WeakPolarHBondContact O-CB 3.41Å; I224-C227 PolarHBondContact O-N 2.76Å; I224-V228 HydrophobicContact CG2-CG2 4.33Å; I224-V228 WeakPolarHBondContact O-CG2 3.29Å; I224-V228 PolarHBondContact O-N 3.29Å
225I88.1Confident88.1Confident85 Ų8553.4 Ų53.444%0.43629%0.285SS..Hα-helixtrans-58.6-49.5-177.3-67.8176000112.3T220 C227 V228 L229T220-I225 WeakPolarHBondContact O-CG1 3.44Å; T220-I225 PolarHBondContact O-N 2.84Å; I225-C227 VanDerWaalsContact C-N 3.31Å; I225-C227 PolarHBondContact O-N 2.97Å; I225-V228 PolarHBondContact O-N 2.97Å; I225-L229 HydrophobicContact CG2-CD1 3.98Å; I225-L229 HydrophobicContact CG2-CG 4.46Å; I225-L229 WeakPolarHBondContact O-CG 3.36Å; I225-L229 PolarHBondContact O-N 2.91Å
226P90.1Very high87.9Confident35 Ų3554.8 Ų54.823%0.22730%0.295CS..Hα-helixtrans-61.7-38.1177.3-25.436.5000112.8I221 L229 I230 F261I221-P226 VanDerWaalsContact O-CD 3.31Å; I221-P226 WeakPolarHBondContact O-CD 3.45Å; P226-L229 PolarHBondContact O-N 3.37Å; P226-I230 WeakPolarHBondContact O-CD1 3.4Å; P226-I230 VanDerWaalsContact O-CG1 3.26Å; P226-I230 WeakPolarHBondContact O-CG1 3.26Å; P226-I230 PolarHBondContact O-N 2.81Å; P226-F261 HydrophobicContact CB-CE1 4.03Å; P226-F261 HydrophobicContact CB-CE2 4.32Å; P226-F261 HydrophobicContact CB-CZ 3.57Å; P226-F261 HydrophobicContact CG-CZ 4.39Å
227C86.3Confident87.8Confident2 Ų253 Ų531%0.01428%0.283CS..Hα-helixtrans-61.4-47.5177-171.20000111.4L223 I224 I225 L229 I230 T231 Y282 L283L223-C227 VanDerWaalsContact O-CB 3.23Å; L223-C227 WeakPolarHBondContact O-CB 3.48Å; L223-C227 PolarHBondContact O-N 3.48Å; I224-C227 WeakPolarHBondContact O-CB 3.41Å; I224-C227 PolarHBondContact O-N 2.76Å; I225-C227 VanDerWaalsContact C-N 3.31Å; I225-C227 PolarHBondContact O-N 2.97Å; C227-L229 PolarHBondContact O-N 3.09Å; C227-I230 PolarHBondContact O-N 2.65Å; C227-T231 WeakPolarHBondContact O-CG2 3.32Å; C227-T231 PolarHBondContact O-N 3.08Å; C227-Y282 VanDerWaalsContact SG-CE1 3.52Å; C227-L283 WeakPolarHBondContact SG-CD2 3.18Å
228V86.3Confident87.6Confident66 Ų6647.2 Ų47.240%0.425%0.253SS..Hα-helixtrans-61.2-42.7176.9173.70000111.2I224 I225 I230 T231 S232I224-V228 HydrophobicContact CG2-CG2 4.33Å; I224-V228 WeakPolarHBondContact O-CG2 3.29Å; I224-V228 PolarHBondContact O-N 3.29Å; I225-V228 PolarHBondContact O-N 2.97Å; V228-I230 PolarHBondContact O-N 2.78Å; V228-T231 PolarHBondContact O-N 3.07Å; V228-T231 PolarHBondContact O-OG1 2.88Å; V228-S232 PolarHBondContact O-N 3.22Å; V228-S232 VanDerWaalsContact O-N 3.08Å
229L89.1Confident87.4Confident100 Ų10047.8 Ų47.852%0.52425%0.252SS..Hα-helixtrans-62.6-39.5176-69172.1000112.7I225 P226 C227 T231 S232 L233I225-L229 HydrophobicContact CG2-CD1 3.98Å; I225-L229 HydrophobicContact CG2-CG 4.46Å; I225-L229 WeakPolarHBondContact O-CG 3.36Å; I225-L229 PolarHBondContact O-N 2.91Å; P226-L229 PolarHBondContact O-N 3.37Å; C227-L229 PolarHBondContact O-N 3.09Å; L229-T231 VanDerWaalsContact C-N 3.31Å; L229-T231 PolarHBondContact O-N 3.35Å; L229-S232 PolarHBondContact O-N 3.04Å; L229-S232 PolarHBondContact O-OG 3.12Å; L229-L233 WeakPolarHBondContact O-CG 3.49Å; L229-L233 PolarHBondContact O-N 2.81Å; L229-L233 VanDerWaalsContact O-N 3.09Å
230I88.1Confident87.4Confident19 Ų1949.1 Ų49.110%0.09726%0.261CS..Hα-helixtrans-66.5-35.8175.7-68.1162.3000110.9P226 C227 V228 S232 L233 A234 V254 A257 L258 F261P226-I230 WeakPolarHBondContact O-CD1 3.4Å; P226-I230 VanDerWaalsContact O-CG1 3.26Å; P226-I230 WeakPolarHBondContact O-CG1 3.26Å; P226-I230 PolarHBondContact O-N 2.81Å; C227-I230 PolarHBondContact O-N 2.65Å; V228-I230 PolarHBondContact O-N 2.78Å; I230-S232 VanDerWaalsContact C-N 3.35Å; I230-S232 PolarHBondContact O-N 3.24Å; I230-L233 PolarHBondContact O-N 3.38Å; I230-A234 PolarHBondContact O-N 3.39Å; I230-V254 HydrophobicContact CG2-CG1 3.99Å; I230-A257 HydrophobicContact CD1-CB 3.95Å; I230-L258 HydrophobicContact CG2-CD1 4.42Å; I230-L258 HydrophobicContact CG2-CD2 3.7Å; I230-L258 HydrophobicContact CG2-CG 3.73Å; I230-F261 HydrophobicContact CD1-CD2 3.6Å; I230-F261 HydrophobicContact CD1-CE2 3.37Å; I230-F261 HydrophobicContact CD1-CZ 4.36Å
231T84.2Confident87.4Confident8 Ų850.2 Ų50.25%0.04927%0.268CS..Hα-helixtrans-69.3-29.9176.672.70000113.2C227 V228 L229 A234 Y282 T286C227-T231 WeakPolarHBondContact O-CG2 3.32Å; C227-T231 PolarHBondContact O-N 3.08Å; V228-T231 PolarHBondContact O-N 3.07Å; V228-T231 PolarHBondContact O-OG1 2.88Å; L229-T231 VanDerWaalsContact C-N 3.31Å; L229-T231 PolarHBondContact O-N 3.35Å; T231-A234 WeakPolarHBondContact O-CB 3.19Å; T231-Y282 WeakPolarHBondContact CB-OH 3.44Å; T231-Y282 HydrophobicContact CG2-CE1 3.82Å; T231-Y282 WeakPolarHBondContact CG2-OH 3.43Å; T231-Y282 PolarHBondContact OG1-OH 2.93Å; T231-Y282 VanDerWaalsContact OG1-OH 3.11Å; T231-T286 HydrophobicContact CG2-CG2 3.51Å
232S86.3Confident87.1Confident61 Ų6146.4 Ų46.443%0.42725%0.25SS..Hα-helixtrans-75.9-35.3173.469.70000112.1V228 L229 I230 A234 I235 L236V228-S232 PolarHBondContact O-N 3.22Å; V228-S232 VanDerWaalsContact O-N 3.08Å; L229-S232 PolarHBondContact O-N 3.04Å; L229-S232 PolarHBondContact O-OG 3.12Å; I230-S232 VanDerWaalsContact C-N 3.35Å; I230-S232 PolarHBondContact O-N 3.24Å; S232-A234 VanDerWaalsContact C-N 3.3Å; S232-A234 PolarHBondContact O-N 2.9Å; S232-I235 PolarHBondContact O-N 3.44Å; S232-I235 VanDerWaalsContact O-N 3.17Å; S232-L236 PolarHBondContact O-N 3.39Å; S232-L236 VanDerWaalsContact O-N 3.08Å
233L87.9Confident86.9Confident71 Ų7147.2 Ų47.237%0.37225%0.254SS..Hα-helixtrans-60.5-37.3170.5-69.9175000112.3L229 I230 I235 L236 V237 V254L229-L233 WeakPolarHBondContact O-CG 3.49Å; L229-L233 PolarHBondContact O-N 2.81Å; L229-L233 VanDerWaalsContact O-N 3.09Å; I230-L233 PolarHBondContact O-N 3.38Å; L233-I235 PolarHBondContact O-N 3.17Å; L233-L236 HydrophobicContact CD2-CD2 4.16Å; L233-L236 WeakPolarHBondContact O-CB 3.45Å; L233-L236 PolarHBondContact O-N 3.36Å; L233-V237 PolarHBondContact O-N 2.99Å; L233-V254 HydrophobicContact CB-CG2 4.08Å
234A83.8Confident86.7Confident9 Ų950.3 Ų50.37%0.07428%0.276CS..Hα-helixtrans-59.8-32.517500000113.6I230 T231 S232 V254 V290I230-A234 PolarHBondContact O-N 3.39Å; T231-A234 WeakPolarHBondContact O-CB 3.19Å; S232-A234 VanDerWaalsContact C-N 3.3Å; S232-A234 PolarHBondContact O-N 2.9Å; A234-V254 HydrophobicContact CB-CG1 4.01Å; A234-V290 HydrophobicContact CB-CG2 3.67Å
235I87.3Confident86.6Confident39 Ų3951.6 Ų51.620%0.230%0.295CS..Hα-helixtrans-77.4-40.4175.2-62.1171.5000110.5S232 L233 V237 F238 V456 C459S232-I235 PolarHBondContact O-N 3.44Å; S232-I235 VanDerWaalsContact O-N 3.17Å; L233-I235 PolarHBondContact O-N 3.17Å; I235-V237 PolarHBondContact O-N 2.99Å; I235-V237 VanDerWaalsContact O-N 3.14Å; I235-F238 PolarHBondContact O-N 2.95Å; I235-F238 VanDerWaalsContact O-N 3.13Å; I235-V456 HydrophobicContact CG2-CG2 3.49Å; I235-V456 VanDerWaalsContact CG2-CG2 3.49Å; I235-C459 HydrophobicContact CD1-CB 3.88Å; I235-C459 HydrophobicContact CG1-CB 4.45Å
236L87.7Confident86.5Confident93 Ų9353 Ų5349%0.48730%0.3SS..Hα-helixtrans-59.4-26.1-177.3-171.363.8000113.1S232 L233 F238 Y239 L240S232-L236 PolarHBondContact O-N 3.39Å; S232-L236 VanDerWaalsContact O-N 3.08Å; L233-L236 HydrophobicContact CD2-CD2 4.16Å; L233-L236 WeakPolarHBondContact O-CB 3.45Å; L233-L236 PolarHBondContact O-N 3.36Å; L236-F238 VanDerWaalsContact C-N 3.25Å; L236-F238 PolarHBondContact O-N 3Å; L236-Y239 WeakPolarHBondContact O-CB 3.46Å; L236-Y239 PolarHBondContact O-N 3.19Å; L236-L240 PolarHBondContact O-N 3.17Å
237V88Confident86.5Confident2 Ų251.6 Ų51.61%0.01229%0.29CS..G310 helixtrans-45.8-45.3170.5166.80000113L233 I235 Y239 L240 K247 L250 C251L233-V237 PolarHBondContact O-N 2.99Å; I235-V237 PolarHBondContact O-N 2.99Å; I235-V237 VanDerWaalsContact O-N 3.14Å; V237-Y239 PolarHBondContact O-N 2.91Å; V237-L240 PolarHBondContact O-N 3.25Å; V237-K247 HydrophobicContact CG1-CG 4.1Å; V237-K247 WeakPolarHBondContact O-CE 3.37Å; V237-L250 HydrophobicContact CG2-CD2 3.82Å; V237-L250 HydrophobicContact CG2-CG 3.94Å; V237-C251 WeakPolarHBondContact CG1-SG 3.41Å
238F86.5Confident86.6Confident1 Ų153.7 Ų53.70%0.00430%0.3CS..G310 helixtrans-76.8-5.4-177.6-62.4-78.7000113.6I235 L236 S293 T296 D448 F451 L452 F455I235-F238 PolarHBondContact O-N 2.95Å; I235-F238 VanDerWaalsContact O-N 3.13Å; L236-F238 VanDerWaalsContact C-N 3.25Å; L236-F238 PolarHBondContact O-N 3Å; F238-S293 VanDerWaalsContact CE2-OG 3.28Å; F238-S293 WeakPolarHBondContact CE2-OG 3.23Å; F238-S293 WeakPolarHBondContact CZ-OG 3.4Å; F238-T296 WeakPolarHBondContact CE1-OG1 3.32Å; F238-D448 WeakPolarHBondContact CD1-OD1 3.48Å; F238-F451 HydrophobicContact CD1-CB 4.08Å; F238-F451 HydrophobicContact CE1-CB 3.87Å; F238-L452 HydrophobicContact CB-CB 3.72Å; F238-L452 HydrophobicContact CB-CD1 4.12Å; F238-L452 HydrophobicContact CB-CG 4.04Å; F238-L452 HydrophobicContact CG-CB 4.49Å; F238-F455 HydrophobicContact CD2-CB 4.38Å; F238-F455 HydrophobicContact CD2-CD2 4.33Å; F238-F455 HydrophobicContact CD2-CG 4.46Å; F238-F455 HydrophobicContact CE1-CD2 4.07Å; F238-F455 HydrophobicContact CE1-CE2 4.11Å; F238-F455 HydrophobicContact CE2-CB 3.95Å; F238-F455 HydrophobicContact CE2-CD1 4.21Å; F238-F455 AromaticContact CE2-CD2 3.43Å; F238-F455 HydrophobicContact CE2-CD2 3.43Å; F238-F455 VanDerWaalsContact CE2-CD2 3.43Å; F238-F455 AromaticContact CE2-CE2 3.94Å; F238-F455 HydrophobicContact CE2-CE2 3.94Å; F238-F455 AromaticContact CE2-CG 3.6Å; F238-F455 HydrophobicContact CE2-CG 3.6Å; F238-F455 HydrophobicContact CZ-CD1 4.49Å; F238-F455 AromaticContact CZ-CD2 3.27Å; F238-F455 HydrophobicContact CZ-CD2 3.27Å; F238-F455 AromaticContact CZ-CE2 3.34Å; F238-F455 HydrophobicContact CZ-CE2 3.34Å; F238-F455 AromaticContact CZ-CG 3.91Å; F238-F455 HydrophobicContact CZ-CG 3.91Å; F238-F455 HydrophobicContact CZ-CZ 4.02Å
239Y87.1Confident86.8Confident142 Ų14254 Ų5456%0.55730%0.302SS*.G310 helixtrans-90.4-24.3172-166.4-90.3000112L236 V237 L452L236-Y239 WeakPolarHBondContact O-CB 3.46Å; L236-Y239 PolarHBondContact O-N 3.19Å; V237-Y239 PolarHBondContact O-N 2.91Å; Y239-L452 HydrophobicContact CD2-CD1 4.41Å
240L88.1Confident86.8Confident52 Ų5251.6 Ų51.627%0.27229%0.29SS..SBendtrans-75124.4-177.4-167.374.8000110.8L236 V237 K247L236-L240 PolarHBondContact O-N 3.17Å; V237-L240 PolarHBondContact O-N 3.25Å; L240-K247 HydrophobicContact CD2-CB 4.18Å
241P87.3Confident86.9Confident63 Ų6350.8 Ų50.841%0.40929%0.286SS..  trans-66144.6-179.928.1-34.3000111.3D243 C244P241-D243 PolarHBondContact O-N 2.82Å; P241-C244 PolarHBondContact O-N 3.48Å
242S85.4Confident87.2Confident10 Ų1055 Ų557%0.0731%0.307CS..G310 helixtrans-70.4-16.4-176.4-60.90000113.4C244S242-C244 PolarHBondContact O-N 3.33Å
243D84.4Confident87.5Confident101 Ų10155.2 Ų55.254%0.5431%0.309SS..G310 helixtrans-63.1-22.6172.3-66.8-65.5000113.7P241 G245 H304 K441P241-D243 PolarHBondContact O-N 2.82Å; D243-G245 PolarHBondContact O-N 2.99Å; D243-H304 IonicContact OD1-CE1 3.51Å; D243-H304 PolarHBondContact OD1-CE1 3.23Å; D243-H304 VanDerWaalsContact OD1-CE1 3.22Å; D243-H304 IonicContact OD1-NE2 3.77Å; D243-H304 PolarHBondContact OD1-NE2 2.88Å; D243-H304 IonicContact OD2-NE2 3.77Å; D243-K441 IonicContact OD1-NZ 2.7Å; D243-K441 PolarHBondContact OD1-NZ 2.94Å
244C82.8Confident87.6Confident73 Ų7352.2 Ų52.249%0.49329%0.294SS..G310 helixtrans-80.6-8.5-174.5-72.40000115.2P241 S242 E246P241-C244 PolarHBondContact O-N 3.48Å; S242-C244 PolarHBondContact O-N 3.33Å; C244-E246 PolarHBondContact O-N 2.86Å
245G83.6Confident88Confident52 Ų5253.8 Ų53.854%0.53630%0.3SS..SBendtrans71.6-41.2-179.200000115.9D243 K247D243-G245 PolarHBondContact O-N 2.99Å; G245-K247 PolarHBondContact O-N 3.38Å
246E87.1Confident88.2Confident114 Ų11457.1 Ų57.153%0.53332%0.318SS..THydrogen-bonded Turntrans-68.5-3.3-172.3-66.3-54.8151.200116C244 M248 T249 L250C244-E246 PolarHBondContact O-N 2.86Å; E246-M248 VanDerWaalsContact C-N 3.28Å; E246-M248 PolarHBondContact O-N 2.86Å; E246-T249 WeakPolarHBondContact O-CB 3.25Å; E246-T249 PolarHBondContact O-N 2.88Å; E246-T249 WeakPolarHBondContact OE2-CB 3.38Å; E246-T249 PolarHBondContact OE2-OG1 2.91Å; E246-L250 PolarHBondContact O-N 2.82Å
247K88.4Confident88.4Confident5 Ų554.1 Ų54.12%0.02231%0.306CS..Hα-helixtrans-56.8-41.8-180-171.7171.2-176.7172.30112.1V237 L240 G245 C251 D448V237-K247 HydrophobicContact CG1-CG 4.1Å; V237-K247 WeakPolarHBondContact O-CE 3.37Å; L240-K247 HydrophobicContact CD2-CB 4.18Å; G245-K247 PolarHBondContact O-N 3.38Å; K247-C251 PolarHBondContact O-N 2.76Å; K247-C251 PolarHBondContact O-SG 3.11Å; K247-D448 IonicContact NZ-OD1 3.19Å; K247-D448 PolarHBondContact NZ-OD1 3.16Å; K247-D448 IonicContact NZ-OD2 3.71Å; K247-D448 PolarHBondContact NZ-OD2 3.32Å
248M89.1Confident88.5Confident46 Ų4654.1 Ų54.123%0.22731%0.306CS..Hα-helixtrans-70.6-41.3178.8-66.4-54.7-56.600112.1E246 L250 C251 I252 I294 V298 L301E246-M248 VanDerWaalsContact C-N 3.28Å; E246-M248 PolarHBondContact O-N 2.86Å; M248-L250 VanDerWaalsContact C-N 3.34Å; M248-L250 PolarHBondContact O-N 3.44Å; M248-C251 PolarHBondContact O-N 2.87Å; M248-I252 WeakPolarHBondContact O-CG1 3.41Å; M248-I252 PolarHBondContact O-N 3.35Å; M248-I252 VanDerWaalsContact O-N 3.08Å; M248-I294 HydrophobicContact CE-CG2 4.39Å; M248-V298 HydrophobicContact CE-CG2 3.48Å; M248-V298 VanDerWaalsContact CE-CG2 3.48Å; M248-V298 HydrophobicContact SD-CG2 3.93Å; M248-L301 HydrophobicContact CG-CD2 4.14Å
249T90.6Very high88.7Confident72 Ų7256.1 Ų56.144%0.44232%0.319SS..Hα-helixtrans-56.6-47.2176.4-41.10000111.3E246 I252 S253E246-T249 WeakPolarHBondContact O-CB 3.25Å; E246-T249 PolarHBondContact O-N 2.88Å; E246-T249 WeakPolarHBondContact OE2-CB 3.38Å; E246-T249 PolarHBondContact OE2-OG1 2.91Å; T249-I252 PolarHBondContact O-N 3Å; T249-S253 WeakPolarHBondContact O-CB 3.47Å; T249-S253 PolarHBondContact O-N 3.33Å; T249-S253 PolarHBondContact O-OG 2.93Å
250L90.2Very high89Confident50 Ų5053.2 Ų53.226%0.26232%0.316SS..Hα-helixtrans-62.3-45.2179.1-178.161000111.6V237 E246 M248 I252 S253 V254V237-L250 HydrophobicContact CG2-CD2 3.82Å; V237-L250 HydrophobicContact CG2-CG 3.94Å; E246-L250 PolarHBondContact O-N 2.82Å; M248-L250 VanDerWaalsContact C-N 3.34Å; M248-L250 PolarHBondContact O-N 3.44Å; L250-I252 PolarHBondContact O-N 3.22Å; L250-S253 PolarHBondContact O-N 3.42Å; L250-V254 HydrophobicContact CD1-CG2 4.31Å; L250-V254 WeakPolarHBondContact O-CB 3.25Å; L250-V254 VanDerWaalsContact O-CG2 3.31Å; L250-V254 WeakPolarHBondContact O-CG2 3.48Å; L250-V254 PolarHBondContact O-N 3Å
251C88.6Confident89Confident3 Ų352.7 Ų52.72%0.0231%0.311CS..Hα-helixtrans-60.4-46.2178.5-62.70000112.6V237 K247 M248 V254 L255 I294V237-C251 WeakPolarHBondContact CG1-SG 3.41Å; K247-C251 PolarHBondContact O-N 2.76Å; K247-C251 PolarHBondContact O-SG 3.11Å; M248-C251 PolarHBondContact O-N 2.87Å; C251-V254 PolarHBondContact O-N 2.9Å; C251-L255 PolarHBondContact O-N 3.31Å; C251-I294 HydrophobicContact CB-CD1 4.45Å; C251-I294 HydrophobicContact CB-CG1 3.63Å
252I90.9Very high89.1Confident95 Ų9551.8 Ų51.849%0.48730%0.303SS..Hα-helixtrans-68.3-41.3-177.8-65.6167.2000110.3M248 T249 L250 V254 L255 L256M248-I252 WeakPolarHBondContact O-CG1 3.41Å; M248-I252 PolarHBondContact O-N 3.35Å; M248-I252 VanDerWaalsContact O-N 3.08Å; T249-I252 PolarHBondContact O-N 3Å; L250-I252 PolarHBondContact O-N 3.22Å; I252-V254 PolarHBondContact O-N 3.05Å; I252-L255 PolarHBondContact O-N 3.47Å; I252-L256 WeakPolarHBondContact O-CB 3.34Å; I252-L256 PolarHBondContact O-N 2.91Å
253S92Very high89.3Confident67 Ų6756.5 Ų56.547%0.46933%0.327SS..Hα-helixtrans-61.9-41.4175.6-59.10000112.2T249 L250 L256 A257T249-S253 WeakPolarHBondContact O-CB 3.47Å; T249-S253 PolarHBondContact O-N 3.33Å; T249-S253 PolarHBondContact O-OG 2.93Å; L250-S253 PolarHBondContact O-N 3.42Å; S253-L256 PolarHBondContact O-N 3.35Å; S253-A257 WeakPolarHBondContact O-CB 3.4Å; S253-A257 PolarHBondContact O-N 3.38Å
254V91.5Very high89.6Confident8 Ų855.2 Ų55.25%0.04832%0.319CS..Hα-helixtrans-64.3-43.4175.1164.90000111.5I230 L233 A234 L250 C251 I252 A257 L258 V290I230-V254 HydrophobicContact CG2-CG1 3.99Å; L233-V254 HydrophobicContact CB-CG2 4.08Å; A234-V254 HydrophobicContact CB-CG1 4.01Å; L250-V254 HydrophobicContact CD1-CG2 4.31Å; L250-V254 WeakPolarHBondContact O-CB 3.25Å; L250-V254 VanDerWaalsContact O-CG2 3.31Å; L250-V254 WeakPolarHBondContact O-CG2 3.48Å; L250-V254 PolarHBondContact O-N 3Å; C251-V254 PolarHBondContact O-N 2.9Å; I252-V254 PolarHBondContact O-N 3.05Å; V254-A257 PolarHBondContact O-N 2.99Å; V254-L258 HydrophobicContact CG1-CD1 4.33Å; V254-L258 WeakPolarHBondContact O-CG 3.28Å; V254-L258 PolarHBondContact O-N 3.34Å; V254-V290 HydrophobicContact CG1-CG1 4.25Å; V254-V290 HydrophobicContact CG1-CG2 3.97Å
255L90.9Very high89.8Confident42 Ų4252.1 Ų52.122%0.2230%0.298CS..Hα-helixtrans-62.1-43.6175.9-178.363.3000111.8C251 I252 L258 T259 M287 V290 I294C251-L255 PolarHBondContact O-N 3.31Å; I252-L255 PolarHBondContact O-N 3.47Å; L255-L258 PolarHBondContact O-N 3.08Å; L255-T259 PolarHBondContact O-N 2.84Å; L255-T259 PolarHBondContact O-OG1 3.13Å; L255-M287 HydrophobicContact CD1-CE 4.43Å; L255-M287 HydrophobicContact CD1-CG 3.97Å; L255-V290 HydrophobicContact CB-CG1 3.9Å; L255-V290 HydrophobicContact CD1-CG1 4.14Å; L255-I294 HydrophobicContact CB-CD1 4.19Å; L255-I294 HydrophobicContact CD2-CD1 3.74Å; L255-I294 HydrophobicContact CG-CD1 4.5Å
256L92.5Very high89.9Confident109 Ų10953.2 Ų53.257%0.57130%0.297SS*.Hα-helixtrans-65.7-39178-172.1150.9000111.9I252 S253 T259 V260I252-L256 WeakPolarHBondContact O-CB 3.34Å; I252-L256 PolarHBondContact O-N 2.91Å; S253-L256 PolarHBondContact O-N 3.35Å; L256-T259 PolarHBondContact O-N 3.14Å; L256-T259 PolarHBondContact O-OG1 3.04Å; L256-V260 HydrophobicContact CD2-CG2 4.23Å; L256-V260 WeakPolarHBondContact O-CG2 3.37Å; L256-V260 PolarHBondContact O-N 3.41Å
257A91.9Very high90Very high29 Ų2954.9 Ų54.924%0.2430%0.303CS..Hα-helixtrans-60.8-46.3173.100000111.1I230 S253 V254 T259 V260 F261I230-A257 HydrophobicContact CD1-CB 3.95Å; S253-A257 WeakPolarHBondContact O-CB 3.4Å; S253-A257 PolarHBondContact O-N 3.38Å; V254-A257 PolarHBondContact O-N 2.99Å; A257-T259 PolarHBondContact O-N 3.17Å; A257-V260 PolarHBondContact O-N 3.5Å; A257-F261 VanDerWaalsContact O-CD2 3.3Å; A257-F261 WeakPolarHBondContact O-CD2 3.43Å; A257-F261 PolarHBondContact O-N 2.97Å
258L89.9Confident90Very high2 Ų256.7 Ų56.71%0.0131%0.312CS..Hα-helixtrans-61.1-40.3177.7-71.7170.9000113I230 V254 L255 F261 L262 L283 T286 V290I230-L258 HydrophobicContact CG2-CD1 4.42Å; I230-L258 HydrophobicContact CG2-CD2 3.7Å; I230-L258 HydrophobicContact CG2-CG 3.73Å; V254-L258 HydrophobicContact CG1-CD1 4.33Å; V254-L258 WeakPolarHBondContact O-CG 3.28Å; V254-L258 PolarHBondContact O-N 3.34Å; L255-L258 PolarHBondContact O-N 3.08Å; L258-F261 PolarHBondContact O-N 3.33Å; L258-L262 WeakPolarHBondContact O-CB 3.38Å; L258-L262 PolarHBondContact O-N 3.47Å; L258-L283 HydrophobicContact CD2-CD2 3.88Å; L258-T286 HydrophobicContact CD1-CG2 3.65Å; L258-T286 HydrophobicContact CD2-CG2 3.97Å; L258-T286 HydrophobicContact CG-CG2 4.5Å; L258-V290 HydrophobicContact CD1-CB 4.23Å; L258-V290 HydrophobicContact CD1-CG2 3.7Å
259T90.6Very high89.9Confident44 Ų4455.3 Ų55.327%0.2731%0.306SS..Hα-helixtrans-68-35.8176.557.10000112L255 L256 A257 L262 L263 M287L255-T259 PolarHBondContact O-N 2.84Å; L255-T259 PolarHBondContact O-OG1 3.13Å; L256-T259 PolarHBondContact O-N 3.14Å; L256-T259 PolarHBondContact O-OG1 3.04Å; A257-T259 PolarHBondContact O-N 3.17Å; T259-L262 PolarHBondContact O-N 3.09Å; T259-L263 WeakPolarHBondContact O-CG 3.29Å; T259-L263 PolarHBondContact O-N 2.85Å; T259-M287 HydrophobicContact CG2-CE 3.65Å; T259-M287 HydrophobicContact CG2-SD 4.19Å
260V92.4Very high89.8Confident81 Ų8152.1 Ų52.149%0.49129%0.287SS..Hα-helixtrans-63.5-43.8172.4171.60000111.5L256 A257 L262 L263 L264L256-V260 HydrophobicContact CD2-CG2 4.23Å; L256-V260 WeakPolarHBondContact O-CG2 3.37Å; L256-V260 PolarHBondContact O-N 3.41Å; A257-V260 PolarHBondContact O-N 3.5Å; V260-L262 VanDerWaalsContact C-N 3.34Å; V260-L262 PolarHBondContact O-N 3.48Å; V260-L263 PolarHBondContact O-N 2.83Å; V260-L264 WeakPolarHBondContact O-CB 3.07Å; V260-L264 PolarHBondContact O-N 3.12Å
261F89.4Confident89.6Confident40 Ų4055.6 Ų55.618%0.17531%0.312CS..Hα-helixtrans-64.6-36.2174.5-84.4-77.5000112.7P226 I230 A257 L258 L264 I265 L283P226-F261 HydrophobicContact CB-CE1 4.03Å; P226-F261 HydrophobicContact CB-CE2 4.32Å; P226-F261 HydrophobicContact CB-CZ 3.57Å; P226-F261 HydrophobicContact CG-CZ 4.39Å; I230-F261 HydrophobicContact CD1-CD2 3.6Å; I230-F261 HydrophobicContact CD1-CE2 3.37Å; I230-F261 HydrophobicContact CD1-CZ 4.36Å; A257-F261 VanDerWaalsContact O-CD2 3.3Å; A257-F261 WeakPolarHBondContact O-CD2 3.43Å; A257-F261 PolarHBondContact O-N 2.97Å; L258-F261 PolarHBondContact O-N 3.33Å; F261-L264 PolarHBondContact O-N 2.82Å; F261-I265 PolarHBondContact O-N 3.39Å; F261-L283 HydrophobicContact CB-CD1 4.45Å; F261-L283 HydrophobicContact CB-CD2 4.1Å
262L88Confident89.4Confident44 Ų4457.6 Ų57.623%0.2332%0.324CS..Hα-helixtrans-65.6-40.3174.4-17463.6000112.3L258 T259 V260 L264 I265 S266 L283 M284 M287L258-L262 WeakPolarHBondContact O-CB 3.38Å; L258-L262 PolarHBondContact O-N 3.47Å; T259-L262 PolarHBondContact O-N 3.09Å; V260-L262 VanDerWaalsContact C-N 3.34Å; V260-L262 PolarHBondContact O-N 3.48Å; L262-L264 VanDerWaalsContact C-N 3.32Å; L262-I265 HydrophobicContact CD1-CG2 4.21Å; L262-I265 WeakPolarHBondContact O-CG2 3.37Å; L262-S266 PolarHBondContact O-N 3.25Å; L262-S266 VanDerWaalsContact O-N 3.14Å; L262-L283 HydrophobicContact CD1-CB 4.32Å; L262-M284 HydrophobicContact CD1-CG 4.49Å; L262-M284 HydrophobicContact CD1-SD 4.2Å; L262-M284 HydrophobicContact CD2-SD 3.74Å; L262-M287 HydrophobicContact CD2-SD 4.17Å
263L90Very high88.9Confident109 Ų10959 Ų5957%0.57134%0.343SS*.Hα-helixtrans-69.8-28.7174.1-70.4173.7000112.8T259 V260 S266 K267T259-L263 WeakPolarHBondContact O-CG 3.29Å; T259-L263 PolarHBondContact O-N 2.85Å; V260-L263 PolarHBondContact O-N 2.83Å; L263-S266 PolarHBondContact O-OG 3.15Å; L263-S266 VanDerWaalsContact O-OG 3.04Å; L263-K267 WeakPolarHBondContact O-CG 3.48Å
264L90.5Very high88.3Confident75 Ų7561.6 Ų61.639%0.39335%0.351SS..Hα-helixtrans-69.8-47.9174.7-176.9147.9000110.8L223 V260 F261 L262 S266 K267 I268L223-L264 HydrophobicContact CD1-CD2 3.59Å; L223-L264 HydrophobicContact CG-CD2 4.23Å; V260-L264 WeakPolarHBondContact O-CB 3.07Å; V260-L264 PolarHBondContact O-N 3.12Å; F261-L264 PolarHBondContact O-N 2.82Å; L262-L264 VanDerWaalsContact C-N 3.32Å; L264-S266 VanDerWaalsContact C-N 3.32Å; L264-S266 PolarHBondContact O-N 3.47Å; L264-K267 PolarHBondContact O-N 3.11Å; L264-K267 VanDerWaalsContact O-N 3.13Å; L264-I268 HydrophobicContact CD2-CD1 3.63Å; L264-I268 HydrophobicContact CG-CD1 4.46Å; L264-I268 PolarHBondContact O-N 3.3Å
265I88.2Confident87.5Confident7 Ų764.3 Ų64.34%0.03637%0.365CS..Hα-helixtrans-64.8-35.4178.1-169.868.7000112F144 L223 F261 L262 K267 I268 V269 I279 L283F144-I265 HydrophobicContact CD1-CD1 4.08Å; F144-I265 HydrophobicContact CE1-CD1 3.6Å; F144-I265 HydrophobicContact CZ-CD1 4.38Å; L223-I265 HydrophobicContact CD1-CD1 4.23Å; F261-I265 PolarHBondContact O-N 3.39Å; L262-I265 HydrophobicContact CD1-CG2 4.21Å; L262-I265 WeakPolarHBondContact O-CG2 3.37Å; I265-K267 PolarHBondContact O-N 2.89Å; I265-K267 VanDerWaalsContact O-N 3.17Å; I265-I268 PolarHBondContact O-N 3.04Å; I265-I268 VanDerWaalsContact O-N 3.12Å; I265-V269 HydrophobicContact CD1-CG2 3.58Å; I265-V269 HydrophobicContact CG1-CG2 3.8Å; I265-V269 PolarHBondContact O-N 3.43Å; I265-I279 HydrophobicContact CD1-CG2 3.84Å; I265-I279 HydrophobicContact CG1-CG2 4.05Å; I265-L283 HydrophobicContact CG2-CD1 4.02Å
266S86.1Confident87.2Confident75 Ų7566 Ų6652%0.52438%0.377SS..Hα-helixtrans-68.3-10.1176.276.50000114.5L262 L263 L264L262-S266 PolarHBondContact O-N 3.25Å; L262-S266 VanDerWaalsContact O-N 3.14Å; L263-S266 PolarHBondContact O-OG 3.15Å; L263-S266 VanDerWaalsContact O-OG 3.04Å; L264-S266 VanDerWaalsContact C-N 3.32Å; L264-S266 PolarHBondContact O-N 3.47Å
267K88.2Confident86.9Confident149 Ų14961.5 Ų61.565%0.64835%0.354SS*.Hα-helixtrans-95.4-18.8172.8-74.4178.2178.6-178.70113.5R55 L263 L264 I265R55-K267 WeakPolarHBondContact CD-O 3.48Å; L263-K267 WeakPolarHBondContact O-CG 3.48Å; L264-K267 PolarHBondContact O-N 3.11Å; L264-K267 VanDerWaalsContact O-N 3.13Å; I265-K267 PolarHBondContact O-N 2.89Å; I265-K267 VanDerWaalsContact O-N 3.17Å
268I88.1Confident86.5Confident44 Ų4461 Ų6123%0.22635%0.348CS..Hα-helixtrans-93.5-48.5-179.7-62.4170.2000109.9F144 Y219 L223 L264 I265F144-I268 HydrophobicContact CE2-CG2 4.45Å; F144-I268 HydrophobicContact CZ-CG2 4.07Å; Y219-I268 HydrophobicContact CE1-CD1 4.46Å; Y219-I268 HydrophobicContact CE1-CG2 4.29Å; L223-I268 HydrophobicContact CD1-CD1 4.14Å; L264-I268 HydrophobicContact CD2-CD1 3.63Å; L264-I268 HydrophobicContact CG-CD1 4.46Å; L264-I268 PolarHBondContact O-N 3.3Å; I265-I268 PolarHBondContact O-N 3.04Å; I265-I268 VanDerWaalsContact O-N 3.12Å
269V87.6Confident86.3Confident16 Ų1661.3 Ų61.310%0.09735%0.349CS..SBendtrans-79.1140.7-176.3178.50000110.2V141 I265 P277V141-V269 HydrophobicContact CB-CG1 4.06Å; V141-V269 HydrophobicContact CG1-CG1 3.82Å; V141-V269 HydrophobicContact CG2-CG1 4.29Å; I265-V269 HydrophobicContact CD1-CG2 3.58Å; I265-V269 HydrophobicContact CG1-CG2 3.8Å; I265-V269 PolarHBondContact O-N 3.43Å; V269-P277 HydrophobicContact CG1-CG 4.17Å; V269-P277 HydrophobicContact CG2-CG 4.31Å
270P88.4Confident86.1Confident6 Ų659.4 Ų59.44%0.03934%0.338CS..  trans-59.2149.217519.2-30.3000112.9E54 Q57 V141 T272E54-P270 VanDerWaalsContact O-CB 3.23Å; E54-P270 WeakPolarHBondContact O-CB 3.47Å; E54-P270 WeakPolarHBondContact O-CD 3.36Å; E54-P270 VanDerWaalsContact O-CG 3.26Å; E54-P270 WeakPolarHBondContact O-CG 3.47Å; Q57-P270 HydrophobicContact CG-CB 4.28Å; V141-P270 HydrophobicContact CG1-CG 3.83Å; P270-T272 HydrophobicContact CB-CG2 4.29Å; P270-T272 PolarHBondContact O-N 3.32Å
271P85.9Confident85.9Confident122 Ų12259.5 Ų59.579%0.79233%0.332SS*.  trans-76.356.4177.234.3-37000111.9
272T84.3Confident85.8Confident45 Ų4557.7 Ų57.728%0.27632%0.324SS..  trans-98.8139.817748.30000112.2P270P270-T272 HydrophobicContact CB-CG2 4.29Å; P270-T272 PolarHBondContact O-N 3.32Å
273S80.6Confident85.8Confident125 Ų12555.7 Ų55.787%0.87431%0.313SS*.SBendtrans-92.60.2176530000114.6
274L78.9Confident85.7Confident121 Ų12155 Ų5563%0.63431%0.308SS*.SBendtrans-64.6-44.2-176-67173.9000112.8
275D75.6Confident85.6Confident65 Ų6554.5 Ų54.535%0.34830%0.303SS..  trans-154138.1-179.7-121-42.3000109.1V141 K281V141-D275 WeakPolarHBondContact CG2-O 3.46Å; D275-K281 IonicContact OD1-NZ 3.22Å
276V83.1Confident85.6Confident78 Ų7854.2 Ų54.247%0.47330%0.302SS..  trans-87.1129.9172.5-179.50000108.3K281V276-K281 HydrophobicContact CB-CG 4.12Å; V276-K281 HydrophobicContact CG1-CG 3.92Å; V276-K281 WeakPolarHBondContact O-CE 3.42Å; V276-K281 PolarHBondContact O-NZ 3.46Å; V276-K281 VanDerWaalsContact O-NZ 3.1Å
277P87.4Confident85.8Confident14 Ų1453.2 Ų53.29%0.09129%0.29CS..  trans-59.9148.1179.427.1-37.6000111.1V141 F144 V269 I279 G280 K281V141-P277 HydrophobicContact CB-CB 4.43Å; V141-P277 WeakPolarHBondContact O-CA 3.15Å; V141-P277 WeakPolarHBondContact O-CB 3.35Å; F144-P277 HydrophobicContact CB-CB 4.38Å; V269-P277 HydrophobicContact CG1-CG 4.17Å; V269-P277 HydrophobicContact CG2-CG 4.31Å; P277-I279 VanDerWaalsContact C-N 3.29Å; P277-I279 HydrophobicContact CB-CG2 4.35Å; P277-I279 PolarHBondContact O-N 3.49Å; P277-G280 WeakPolarHBondContact O-CA 3.31Å; P277-G280 PolarHBondContact O-N 2.72Å; P277-K281 PolarHBondContact O-N 3.46Å
278L84.3Confident86Confident20 Ų2049.8 Ų49.811%0.10528%0.281CS..Hα-helixtrans-54-44-177.6-173.374.7000113.1K142 G280 K281 Y282 L466 F467 P470K142-L278 PolarHBondContact O-N 3.33Å; L278-G280 VanDerWaalsContact C-N 3.27Å; L278-G280 PolarHBondContact O-N 3.19Å; L278-K281 WeakPolarHBondContact O-CB 3.29Å; L278-K281 PolarHBondContact O-N 3.25Å; L278-K281 VanDerWaalsContact O-N 3.17Å; L278-Y282 PolarHBondContact O-N 3.29Å; L278-L466 HydrophobicContact CD1-CB 4.36Å; L278-L466 HydrophobicContact CD1-CD2 4.24Å; L278-L466 WeakPolarHBondContact CD1-O 3.49Å; L278-F467 HydrophobicContact CD2-CD1 4.4Å; L278-P470 HydrophobicContact CD2-CG 3.38Å
279I84.6Confident86Confident8 Ų848.7 Ų48.74%0.04128%0.275CS..Hα-helixtrans-63.2-32.6176.9-173.158.8000112.4F144 L223 I265 P277 Y282 L283F144-I279 HydrophobicContact CD1-CG2 4Å; L223-I279 HydrophobicContact CD2-CD1 4.28Å; L223-I279 HydrophobicContact CD2-CG1 3.66Å; I265-I279 HydrophobicContact CD1-CG2 3.84Å; I265-I279 HydrophobicContact CG1-CG2 4.05Å; P277-I279 VanDerWaalsContact C-N 3.29Å; P277-I279 HydrophobicContact CB-CG2 4.35Å; P277-I279 PolarHBondContact O-N 3.49Å; I279-Y282 HydrophobicContact CD1-CD1 4.14Å; I279-Y282 PolarHBondContact O-N 3.38Å; I279-L283 HydrophobicContact CG1-CD1 4.32Å; I279-L283 WeakPolarHBondContact O-CB 3.31Å; I279-L283 WeakPolarHBondContact O-CG 3.14Å; I279-L283 PolarHBondContact O-N 3.08Å
280G87.2Confident86.1Confident4 Ų448.1 Ų48.14%0.04127%0.272CS..Hα-helixtrans-67.7-44.6172.200000111.9P277 L278 Y282 L283 M284P277-G280 WeakPolarHBondContact O-CA 3.31Å; P277-G280 PolarHBondContact O-N 2.72Å; L278-G280 VanDerWaalsContact C-N 3.27Å; L278-G280 PolarHBondContact O-N 3.19Å; G280-Y282 VanDerWaalsContact C-N 3.28Å; G280-Y282 PolarHBondContact O-N 3.39Å; G280-L283 PolarHBondContact O-N 3.02Å; G280-M284 WeakPolarHBondContact O-CB 3.33Å; G280-M284 VanDerWaalsContact O-CG 3.25Å; G280-M284 WeakPolarHBondContact O-CG 3.44Å; G280-M284 PolarHBondContact O-N 3.47Å
281K87Confident86.3Confident82 Ų8250.8 Ų50.836%0.35729%0.288SS..Hα-helixtrans-58.3-41.4173.2-67.3172.6177.3155.80111.1D275 V276 P277 L278 F285D275-K281 IonicContact OD1-NZ 3.22Å; V276-K281 HydrophobicContact CB-CG 4.12Å; V276-K281 HydrophobicContact CG1-CG 3.92Å; V276-K281 WeakPolarHBondContact O-CE 3.42Å; V276-K281 PolarHBondContact O-NZ 3.46Å; V276-K281 VanDerWaalsContact O-NZ 3.1Å; P277-K281 PolarHBondContact O-N 3.46Å; L278-K281 WeakPolarHBondContact O-CB 3.29Å; L278-K281 PolarHBondContact O-N 3.25Å; L278-K281 VanDerWaalsContact O-N 3.17Å; K281-F285 WeakPolarHBondContact O-CB 3.47Å; K281-F285 PolarHBondContact O-N 2.92Å
282Y87.6Confident86.5Confident2 Ų250.7 Ų50.71%0.00828%0.275CS..Hα-helixtrans-66.9-47.2177.1-177.9-116000113.6C227 T231 L278 I279 G280 M284 F285 T286 T463 L466 F467C227-Y282 VanDerWaalsContact SG-CE1 3.52Å; T231-Y282 WeakPolarHBondContact CB-OH 3.44Å; T231-Y282 HydrophobicContact CG2-CE1 3.82Å; T231-Y282 WeakPolarHBondContact CG2-OH 3.43Å; T231-Y282 PolarHBondContact OG1-OH 2.93Å; T231-Y282 VanDerWaalsContact OG1-OH 3.11Å; L278-Y282 PolarHBondContact O-N 3.29Å; I279-Y282 HydrophobicContact CD1-CD1 4.14Å; I279-Y282 PolarHBondContact O-N 3.38Å; G280-Y282 VanDerWaalsContact C-N 3.28Å; G280-Y282 PolarHBondContact O-N 3.39Å; Y282-M284 VanDerWaalsContact C-N 3.34Å; Y282-M284 PolarHBondContact O-N 3.03Å; Y282-F285 PolarHBondContact O-N 3.25Å; Y282-T286 WeakPolarHBondContact O-CB 3.42Å; Y282-T286 PolarHBondContact O-N 3.47Å; Y282-T286 PolarHBondContact O-OG1 3.47Å; Y282-T463 HydrophobicContact CE2-CG2 3.54Å; Y282-T463 VanDerWaalsContact OH-CG2 3.29Å; Y282-T463 WeakPolarHBondContact OH-CG2 3.42Å; Y282-L466 HydrophobicContact CD2-CD1 3.9Å; Y282-F467 HydrophobicContact CD1-CE2 4.14Å; Y282-F467 HydrophobicContact CD1-CZ 4.18Å; Y282-F467 HydrophobicContact CD2-CE2 4.01Å; Y282-F467 HydrophobicContact CE1-CE2 4.13Å; Y282-F467 HydrophobicContact CE1-CZ 4.4Å; Y282-F467 HydrophobicContact CE2-CE2 4.05Å; Y282-F467 HydrophobicContact CG-CE2 4.06Å; Y282-F467 HydrophobicContact CG-CZ 4.31Å
283L88Confident86.8Confident2 Ų248.7 Ų48.71%0.0126%0.264CS..Hα-helixtrans-60.9-42.4176-79.1167.5000111.7C227 L258 F261 L262 I265 I279 G280 T286 M287C227-L283 WeakPolarHBondContact SG-CD2 3.18Å; L258-L283 HydrophobicContact CD2-CD2 3.88Å; F261-L283 HydrophobicContact CB-CD1 4.45Å; F261-L283 HydrophobicContact CB-CD2 4.1Å; L262-L283 HydrophobicContact CD1-CB 4.32Å; I265-L283 HydrophobicContact CG2-CD1 4.02Å; I279-L283 HydrophobicContact CG1-CD1 4.32Å; I279-L283 WeakPolarHBondContact O-CB 3.31Å; I279-L283 WeakPolarHBondContact O-CG 3.14Å; I279-L283 PolarHBondContact O-N 3.08Å; G280-L283 PolarHBondContact O-N 3.02Å; L283-T286 PolarHBondContact O-N 2.9Å; L283-M287 WeakPolarHBondContact O-CB 3.34Å; L283-M287 PolarHBondContact O-N 3.33Å
284M87.8Confident87.3Confident94 Ų9444.2 Ų44.246%0.46323%0.23SC..Hα-helixtrans-64.1-44.6176.1-71.1-63.1-65.700112.3L262 G280 Y282 T286 M287 V288L262-M284 HydrophobicContact CD1-CG 4.49Å; L262-M284 HydrophobicContact CD1-SD 4.2Å; L262-M284 HydrophobicContact CD2-SD 3.74Å; G280-M284 WeakPolarHBondContact O-CB 3.33Å; G280-M284 VanDerWaalsContact O-CG 3.25Å; G280-M284 WeakPolarHBondContact O-CG 3.44Å; G280-M284 PolarHBondContact O-N 3.47Å; Y282-M284 VanDerWaalsContact C-N 3.34Å; Y282-M284 PolarHBondContact O-N 3.03Å; M284-T286 VanDerWaalsContact C-N 3.34Å; M284-T286 PolarHBondContact O-N 3.22Å; M284-M287 PolarHBondContact O-N 3.37Å; M284-V288 WeakPolarHBondContact O-CG2 3.48Å; M284-V288 PolarHBondContact O-N 3.03Å; M284-V288 VanDerWaalsContact O-N 3.08Å
285F89.1Confident87.9Confident65 Ų6543.4 Ų43.429%0.28523%0.225SC..Hα-helixtrans-58.1-46.6173.7170-101.8000111.5K281 Y282 M287 V288 L289 V458K281-F285 WeakPolarHBondContact O-CB 3.47Å; K281-F285 PolarHBondContact O-N 2.92Å; Y282-F285 PolarHBondContact O-N 3.25Å; F285-M287 PolarHBondContact O-N 2.96Å; F285-V288 PolarHBondContact O-N 3.46Å; F285-L289 WeakPolarHBondContact O-CB 3.45Å; F285-L289 PolarHBondContact O-N 2.83Å; F285-V458 HydrophobicContact CE2-CG1 4.39Å; F285-V458 HydrophobicContact CZ-CG1 3.91Å
286T88.1Confident88.7Confident2 Ų241.3 Ų41.31%0.01221%0.214CC..Hα-helixtrans-64.8-40.4178.5-50.70000111.8T231 L258 Y282 L283 M284 V288 L289 V290T231-T286 HydrophobicContact CG2-CG2 3.51Å; L258-T286 HydrophobicContact CD1-CG2 3.65Å; L258-T286 HydrophobicContact CD2-CG2 3.97Å; L258-T286 HydrophobicContact CG-CG2 4.5Å; Y282-T286 WeakPolarHBondContact O-CB 3.42Å; Y282-T286 PolarHBondContact O-N 3.47Å; Y282-T286 PolarHBondContact O-OG1 3.47Å; L283-T286 PolarHBondContact O-N 2.9Å; M284-T286 VanDerWaalsContact C-N 3.34Å; M284-T286 PolarHBondContact O-N 3.22Å; T286-V288 PolarHBondContact O-N 3.32Å; T286-L289 WeakPolarHBondContact O-CB 3.46Å; T286-L289 PolarHBondContact O-N 2.92Å; T286-V290 HydrophobicContact CG2-CG2 4.36Å; T286-V290 WeakPolarHBondContact O-CB 3.48Å; T286-V290 WeakPolarHBondContact O-CG2 3.39Å; T286-V290 PolarHBondContact O-N 3.46Å
287M90.4Very high89Confident54 Ų5437.6 Ų37.627%0.26619%0.192SC..Hα-helixtrans-62.1-42.5178-175.5176.3177.600111.7L255 T259 L262 L283 M284 F285 V290 T291L255-M287 HydrophobicContact CD1-CE 4.43Å; L255-M287 HydrophobicContact CD1-CG 3.97Å; T259-M287 HydrophobicContact CG2-CE 3.65Å; T259-M287 HydrophobicContact CG2-SD 4.19Å; L262-M287 HydrophobicContact CD2-SD 4.17Å; L283-M287 WeakPolarHBondContact O-CB 3.34Å; L283-M287 PolarHBondContact O-N 3.33Å; M284-M287 PolarHBondContact O-N 3.37Å; F285-M287 PolarHBondContact O-N 2.96Å; M287-V290 PolarHBondContact O-N 3.2Å; M287-T291 WeakPolarHBondContact O-CB 3.13Å; M287-T291 PolarHBondContact O-N 3.11Å; M287-T291 PolarHBondContact O-OG1 2.8Å
288V91.4Very high89.2Confident76 Ų7640.3 Ų40.346%0.46121%0.208SC..Hα-helixtrans-64-44.2173.8171.90000110.8M284 F285 T286 V290 T291 F292M284-V288 WeakPolarHBondContact O-CG2 3.48Å; M284-V288 PolarHBondContact O-N 3.03Å; M284-V288 VanDerWaalsContact O-N 3.08Å; F285-V288 PolarHBondContact O-N 3.46Å; T286-V288 PolarHBondContact O-N 3.32Å; V288-V290 PolarHBondContact O-N 3.37Å; V288-T291 PolarHBondContact O-N 3.38Å; V288-F292 HydrophobicContact CG1-CD2 3.81Å; V288-F292 HydrophobicContact CG1-CE2 3.51Å; V288-F292 VanDerWaalsContact O-CD2 3.25Å; V288-F292 WeakPolarHBondContact O-CD2 3.25Å; V288-F292 PolarHBondContact O-N 3.29Å
289L88.9Confident89.6Confident21 Ų2142.8 Ų42.811%0.1123%0.226CC..Hα-helixtrans-59.7-44.7177-165.273.9000112.1F285 T286 F292 S293 F455 V458 C459F285-L289 WeakPolarHBondContact O-CB 3.45Å; F285-L289 PolarHBondContact O-N 2.83Å; T286-L289 WeakPolarHBondContact O-CB 3.46Å; T286-L289 PolarHBondContact O-N 2.92Å; L289-F292 PolarHBondContact O-N 2.94Å; L289-S293 WeakPolarHBondContact O-CB 3.24Å; L289-S293 PolarHBondContact O-N 2.87Å; L289-F455 HydrophobicContact CD1-CD1 3.53Å; L289-F455 HydrophobicContact CD1-CE1 3.61Å; L289-F455 HydrophobicContact CD2-CD1 4.32Å; L289-F455 HydrophobicContact CG-CD1 3.7Å; L289-F455 HydrophobicContact CG-CE1 3.83Å; L289-F455 WeakPolarHBondContact O-CE1 3.39Å; L289-V458 HydrophobicContact CD1-CB 4.44Å; L289-V458 HydrophobicContact CD1-CG1 3.64Å; L289-C459 HydrophobicContact CD2-CB 4.06Å
290V90.1Very high89.9Confident5 Ų542.5 Ų42.53%0.0323%0.225CC..Hα-helixtrans-67.1-37176.9169.80000111.7A234 V254 L255 L258 T286 M287 V288 S293 I294A234-V290 HydrophobicContact CB-CG2 3.67Å; V254-V290 HydrophobicContact CG1-CG1 4.25Å; V254-V290 HydrophobicContact CG1-CG2 3.97Å; L255-V290 HydrophobicContact CB-CG1 3.9Å; L255-V290 HydrophobicContact CD1-CG1 4.14Å; L258-V290 HydrophobicContact CD1-CB 4.23Å; L258-V290 HydrophobicContact CD1-CG2 3.7Å; T286-V290 HydrophobicContact CG2-CG2 4.36Å; T286-V290 WeakPolarHBondContact O-CB 3.48Å; T286-V290 WeakPolarHBondContact O-CG2 3.39Å; T286-V290 PolarHBondContact O-N 3.46Å; M287-V290 PolarHBondContact O-N 3.2Å; V288-V290 PolarHBondContact O-N 3.37Å; V290-S293 WeakPolarHBondContact O-CB 3.1Å; V290-S293 PolarHBondContact O-N 3.28Å; V290-I294 HydrophobicContact CG1-CD1 4.1Å; V290-I294 WeakPolarHBondContact O-CG1 3.23Å; V290-I294 PolarHBondContact O-N 3Å
291T91.3Very high90Very high61 Ų6144.7 Ų44.737%0.37424%0.235SC..Hα-helixtrans-61.6-45.2174.5-55.60000111.2M287 V288 S293 I294 I295M287-T291 WeakPolarHBondContact O-CB 3.13Å; M287-T291 PolarHBondContact O-N 3.11Å; M287-T291 PolarHBondContact O-OG1 2.8Å; V288-T291 PolarHBondContact O-N 3.38Å; T291-S293 VanDerWaalsContact C-N 3.34Å; T291-S293 PolarHBondContact O-N 3.4Å; T291-I294 PolarHBondContact O-N 3.43Å; T291-I295 HydrophobicContact CG2-CD1 4.46Å; T291-I295 WeakPolarHBondContact O-CG1 3.39Å; T291-I295 PolarHBondContact O-N 2.91Å
292F91.4Very high90.3Very high120 Ų12045.1 Ų45.153%0.52624%0.241SC..Hα-helixtrans-64.6-38173-73.7-60.5000112.4V288 L289 I294 I295 T296 F455V288-F292 HydrophobicContact CG1-CD2 3.81Å; V288-F292 HydrophobicContact CG1-CE2 3.51Å; V288-F292 VanDerWaalsContact O-CD2 3.25Å; V288-F292 WeakPolarHBondContact O-CD2 3.25Å; V288-F292 PolarHBondContact O-N 3.29Å; L289-F292 PolarHBondContact O-N 2.94Å; F292-I294 PolarHBondContact O-N 2.85Å; F292-I295 PolarHBondContact O-N 3.36Å; F292-T296 PolarHBondContact O-N 3.22Å; F292-T296 PolarHBondContact O-OG1 3.07Å; F292-F455 HydrophobicContact CB-CE1 4.4Å; F292-F455 HydrophobicContact CB-CZ 4.1Å
293S89.9Confident90.4Very high4 Ų445.9 Ų45.93%0.02825%0.246CC..Hα-helixtrans-58.5-44.8175.41750000112.4F238 L289 V290 T291 I295 T296 S297F238-S293 VanDerWaalsContact CE2-OG 3.28Å; F238-S293 WeakPolarHBondContact CE2-OG 3.23Å; F238-S293 WeakPolarHBondContact CZ-OG 3.4Å; L289-S293 WeakPolarHBondContact O-CB 3.24Å; L289-S293 PolarHBondContact O-N 2.87Å; V290-S293 WeakPolarHBondContact O-CB 3.1Å; V290-S293 PolarHBondContact O-N 3.28Å; T291-S293 VanDerWaalsContact C-N 3.34Å; T291-S293 PolarHBondContact O-N 3.4Å; S293-I295 PolarHBondContact O-N 3.3Å; S293-T296 WeakPolarHBondContact CA-OG1 3.42Å; S293-T296 PolarHBondContact O-N 3.48Å; S293-T296 PolarHBondContact O-OG1 3.33Å; S293-S297 WeakPolarHBondContact O-CB 3.49Å; S293-S297 PolarHBondContact O-N 2.84Å; S293-S297 PolarHBondContact O-OG 3.14Å
294I91.4Very high90.5Very high31 Ų3146.2 Ų46.216%0.15925%0.248CC..Hα-helixtrans-57.2-49.9174.1-70.9159.1000110.9M248 C251 L255 V290 T291 F292 T296 S297 V298M248-I294 HydrophobicContact CE-CG2 4.39Å; C251-I294 HydrophobicContact CB-CD1 4.45Å; C251-I294 HydrophobicContact CB-CG1 3.63Å; L255-I294 HydrophobicContact CB-CD1 4.19Å; L255-I294 HydrophobicContact CD2-CD1 3.74Å; L255-I294 HydrophobicContact CG-CD1 4.5Å; V290-I294 HydrophobicContact CG1-CD1 4.1Å; V290-I294 WeakPolarHBondContact O-CG1 3.23Å; V290-I294 PolarHBondContact O-N 3Å; T291-I294 PolarHBondContact O-N 3.43Å; F292-I294 PolarHBondContact O-N 2.85Å; I294-T296 PolarHBondContact O-N 3.32Å; I294-S297 PolarHBondContact O-N 3.41Å; I294-S297 VanDerWaalsContact O-N 3.17Å; I294-V298 WeakPolarHBondContact O-CG2 3.48Å; I294-V298 PolarHBondContact O-N 3.02Å
295I92.4Very high90.5Very high103 Ų10348.1 Ų48.153%0.52826%0.255SS..Hα-helixtrans-60.5-45.2-179.5-64.7165.6000110.8T291 F292 S293 S297 V298 C299T291-I295 HydrophobicContact CG2-CD1 4.46Å; T291-I295 WeakPolarHBondContact O-CG1 3.39Å; T291-I295 PolarHBondContact O-N 2.91Å; F292-I295 PolarHBondContact O-N 3.36Å; S293-I295 PolarHBondContact O-N 3.3Å; I295-S297 PolarHBondContact O-N 3.03Å; I295-V298 PolarHBondContact O-N 2.98Å; I295-C299 PolarHBondContact O-N 3.13Å; I295-C299 VanDerWaalsContact O-N 3.1Å
296T90.8Very high90.6Very high21 Ų2148 Ų4813%0.12925%0.253CS..Hα-helixtrans-66-36176.4570000112.6F238 F292 S293 I294 C299 V300 F451 F455F238-T296 WeakPolarHBondContact CE1-OG1 3.32Å; F292-T296 PolarHBondContact O-N 3.22Å; F292-T296 PolarHBondContact O-OG1 3.07Å; S293-T296 WeakPolarHBondContact CA-OG1 3.42Å; S293-T296 PolarHBondContact O-N 3.48Å; S293-T296 PolarHBondContact O-OG1 3.33Å; I294-T296 PolarHBondContact O-N 3.32Å; T296-C299 WeakPolarHBondContact O-CB 3.46Å; T296-C299 PolarHBondContact O-N 3.14Å; T296-V300 WeakPolarHBondContact O-CG2 3.5Å; T296-V300 PolarHBondContact O-N 2.94Å; T296-F451 HydrophobicContact CG2-CD1 4.09Å; T296-F451 HydrophobicContact CG2-CD2 4.4Å; T296-F451 HydrophobicContact CG2-CE1 3.87Å; T296-F451 HydrophobicContact CG2-CE2 4.17Å; T296-F451 HydrophobicContact CG2-CG 4.37Å; T296-F451 HydrophobicContact CG2-CZ 3.91Å; T296-F455 HydrophobicContact CG2-CE2 4.4Å
297S90Very high90.5Very high0 Ų049.2 Ų49.20%026%0.262CS..Hα-helixtrans-66.8-40.4177.5-67.70000112.3S293 I294 I295 C299 V300 L301S293-S297 WeakPolarHBondContact O-CB 3.49Å; S293-S297 PolarHBondContact O-N 2.84Å; S293-S297 PolarHBondContact O-OG 3.14Å; I294-S297 PolarHBondContact O-N 3.41Å; I294-S297 VanDerWaalsContact O-N 3.17Å; I295-S297 PolarHBondContact O-N 3.03Å; S297-C299 VanDerWaalsContact C-N 3.31Å; S297-C299 PolarHBondContact O-N 3.31Å; S297-V300 PolarHBondContact O-N 3.35Å; S297-L301 WeakPolarHBondContact O-CB 3.45Å; S297-L301 PolarHBondContact O-N 3.09Å
298V92.1Very high90.2Very high72 Ų7248.1 Ų48.144%0.43626%0.259SS..Hα-helixtrans-62.4-39.5171.5174.30000111M248 I294 I295 L301 N302M248-V298 HydrophobicContact CE-CG2 3.48Å; M248-V298 VanDerWaalsContact CE-CG2 3.48Å; M248-V298 HydrophobicContact SD-CG2 3.93Å; I294-V298 WeakPolarHBondContact O-CG2 3.48Å; I294-V298 PolarHBondContact O-N 3.02Å; I295-V298 PolarHBondContact O-N 2.98Å; V298-L301 PolarHBondContact O-N 3.08Å; V298-N302 WeakPolarHBondContact O-CB 3.24Å; V298-N302 PolarHBondContact O-N 3.17Å
299C91.4Very high89.9Confident72 Ų7249.6 Ų49.649%0.48627%0.272SS..Hα-helixtrans-64.7-46.4176.1-169.40000112.1I295 T296 S297 L301 N302 V303I295-C299 PolarHBondContact O-N 3.13Å; I295-C299 VanDerWaalsContact O-N 3.1Å; T296-C299 WeakPolarHBondContact O-CB 3.46Å; T296-C299 PolarHBondContact O-N 3.14Å; S297-C299 VanDerWaalsContact C-N 3.31Å; S297-C299 PolarHBondContact O-N 3.31Å; C299-L301 VanDerWaalsContact C-N 3.34Å; C299-L301 PolarHBondContact O-N 3.17Å; C299-N302 PolarHBondContact O-N 3.42Å; C299-V303 WeakPolarHBondContact O-CG2 3.46Å; C299-V303 PolarHBondContact O-N 3.06Å
300V91.3Very high89.8Confident1 Ų153.1 Ų53.11%0.00629%0.294CS..Hα-helixtrans-59.8-43.8174.9169.50000111.1T296 S297 V303 H304 A444 V447 D448T296-V300 WeakPolarHBondContact O-CG2 3.5Å; T296-V300 PolarHBondContact O-N 2.94Å; S297-V300 PolarHBondContact O-N 3.35Å; V300-V303 PolarHBondContact O-N 3.33Å; V300-H304 WeakPolarHBondContact O-CB 3.45Å; V300-H304 PolarHBondContact O-N 3.37Å; V300-A444 HydrophobicContact CG1-CB 4.3Å; V300-V447 HydrophobicContact CG2-CB 4.34Å; V300-V447 HydrophobicContact CG2-CG1 3.74Å; V300-D448 HydrophobicContact CG1-CB 4.13Å; V300-D448 HydrophobicContact CG2-CB 4.45Å
301L90.8Very high89.7Confident51 Ų5156.5 Ų56.527%0.26731%0.31SS..Hα-helixtrans-65.2-41178.7-170.665.6000112M248 S297 V298 C299 V303 H304 H305M248-L301 HydrophobicContact CG-CD2 4.14Å; S297-L301 WeakPolarHBondContact O-CB 3.45Å; S297-L301 PolarHBondContact O-N 3.09Å; V298-L301 PolarHBondContact O-N 3.08Å; C299-L301 VanDerWaalsContact C-N 3.34Å; C299-L301 PolarHBondContact O-N 3.17Å; L301-V303 PolarHBondContact O-N 3.48Å; L301-H304 WeakPolarHBondContact O-CB 3.29Å; L301-H304 PolarHBondContact O-N 3.5Å; L301-H305 PolarHBondContact O-CD2 3.33Å; L301-H305 PolarHBondContact O-N 2.93Å; L301-H305 VanDerWaalsContact O-N 3.16Å
302N91.9Very high89.5Confident90 Ų9059.8 Ų59.848%0.48133%0.33SS..Hα-helixtrans-58.2-46.9172.2179-10.1000111.1V298 C299 H304 H305 R306V298-N302 WeakPolarHBondContact O-CB 3.24Å; V298-N302 PolarHBondContact O-N 3.17Å; C299-N302 PolarHBondContact O-N 3.42Å; N302-H304 VanDerWaalsContact C-N 3.34Å; N302-H304 PolarHBondContact O-N 2.98Å; N302-H305 PolarHBondContact O-N 3.42Å; N302-R306 WeakPolarHBondContact O-CG 3.49Å
303V90.1Very high89.2Confident19 Ų1955.1 Ų55.112%0.11531%0.31CS..Hα-helixtrans-63.7-38.2176.9175.90000112C299 V300 L301 H305 R306 W440 V443 A444C299-V303 WeakPolarHBondContact O-CG2 3.46Å; C299-V303 PolarHBondContact O-N 3.06Å; V300-V303 PolarHBondContact O-N 3.33Å; L301-V303 PolarHBondContact O-N 3.48Å; V303-H305 PolarHBondContact O-N 3.43Å; V303-R306 PolarHBondContact O-N 3.11Å; V303-W440 HydrophobicContact CG1-CE3 3.85Å; V303-W440 HydrophobicContact CG1-CZ3 4.11Å; V303-V443 HydrophobicContact CG1-CG1 4.05Å; V303-A444 HydrophobicContact CB-CB 4.42Å; V303-A444 HydrophobicContact CG1-CB 4.11Å
304H89.9Confident89.1Confident9 Ų957.3 Ų57.34%0.04233%0.325CS..Hα-helixtrans-62.7-37.1179.7-178.5-105.6000113.6D243 V300 L301 N302 A444D243-H304 IonicContact OD1-CE1 3.51Å; D243-H304 PolarHBondContact OD1-CE1 3.23Å; D243-H304 VanDerWaalsContact OD1-CE1 3.22Å; D243-H304 IonicContact OD1-NE2 3.77Å; D243-H304 PolarHBondContact OD1-NE2 2.88Å; D243-H304 IonicContact OD2-NE2 3.77Å; V300-H304 WeakPolarHBondContact O-CB 3.45Å; V300-H304 PolarHBondContact O-N 3.37Å; L301-H304 WeakPolarHBondContact O-CB 3.29Å; L301-H304 PolarHBondContact O-N 3.5Å; N302-H304 VanDerWaalsContact C-N 3.34Å; N302-H304 PolarHBondContact O-N 2.98Å; H304-A444 HydrophobicContact CB-CB 3.84Å
305H88.8Confident88.8Confident133 Ų13359.8 Ų59.862%0.61635%0.35SS*.THydrogen-bonded Turntrans-92.915.5-177.9-72.8-82000114.3L301 N302 V303L301-H305 PolarHBondContact O-CD2 3.33Å; L301-H305 PolarHBondContact O-N 2.93Å; L301-H305 VanDerWaalsContact O-N 3.16Å; N302-H305 PolarHBondContact O-N 3.42Å; V303-H305 PolarHBondContact O-N 3.43Å
306R90.4Very high88.6Confident63 Ų6362.3 Ų62.324%0.23835%0.353CS..  trans-73.8131175-71.9-179.5-179-169.9-3.9111.9N302 V303 H311 W440N302-R306 WeakPolarHBondContact O-CG 3.49Å; V303-R306 PolarHBondContact O-N 3.11Å; R306-H311 HydrophobicContact CB-CB 4.44Å; R306-H311 HydrophobicContact CG-CB 4.48Å; R306-W440 HydrophobicContact CB-CD2 3.87Å; R306-W440 HydrophobicContact CB-CE3 4.35Å; R306-W440 HydrophobicContact CB-CG 3.95Å
307S86.4Confident88.5Confident28 Ų2861.8 Ų61.820%0.19635%0.349CS..  trans-103.5152.1173.867.30000111.7S309 T310 H311S307-S309 WeakPolarHBondContact CB-OG 3.28Å; S307-S309 PolarHBondContact O-N 3.24Å; S307-S309 PolarHBondContact OG-OG 3.46Å; S307-T310 PolarHBondContact O-N 3.47Å; S307-T310 VanDerWaalsContact O-N 3.13Å; S307-T310 PolarHBondContact O-OG1 3.22Å; S307-T310 WeakPolarHBondContact OG-CG2 3.39Å; S307-T310 PolarHBondContact OG-N 3.4Å; S307-T310 PolarHBondContact OG-OG1 3.5Å; S307-H311 PolarHBondContact O-N 3.18Å
308P83.9Confident88.2Confident31 Ų3166.5 Ų66.520%0.20137%0.37CS..THydrogen-bonded Turntrans-58.7-32.2171.222.6-32.8000112.5T310 D433 V436 I437P308-T310 PolarHBondContact O-N 2.91Å; P308-D433 WeakPolarHBondContact CB-OD1 3.16Å; P308-D433 HydrophobicContact CG-CB 3.8Å; P308-D433 WeakPolarHBondContact CG-OD1 3.49Å; P308-V436 HydrophobicContact CB-CB 4.22Å; P308-V436 HydrophobicContact CB-CG1 3.98Å; P308-V436 HydrophobicContact CG-CB 4.5Å; P308-I437 VanDerWaalsContact CD-CG1 3.47Å; P308-I437 HydrophobicContact CG-CG1 4.29Å
309S84.6Confident87.8Confident107 Ų10768.1 Ų68.175%0.74838%0.375SS*.THydrogen-bonded Turntrans-66-18.3176.556.90000115.1S307S307-S309 WeakPolarHBondContact CB-OG 3.28Å; S307-S309 PolarHBondContact O-N 3.24Å; S307-S309 PolarHBondContact OG-OG 3.46Å
310T87.4Confident87.6Confident94 Ų9468 Ų6858%0.57737%0.369SS*.THydrogen-bonded Turntrans-115.4-30.5-179.557.70000113.5S307 P308S307-T310 PolarHBondContact O-N 3.47Å; S307-T310 VanDerWaalsContact O-N 3.13Å; S307-T310 PolarHBondContact O-OG1 3.22Å; S307-T310 WeakPolarHBondContact OG-CG2 3.39Å; S307-T310 PolarHBondContact OG-N 3.4Å; S307-T310 PolarHBondContact OG-OG1 3.5Å; P308-T310 PolarHBondContact O-N 2.91Å
311H88.4Confident87.4Confident76 Ų7669.6 Ų69.635%0.35238%0.376SS..  trans-139.6121.6-172.2-69.481.6000112.4R306 S307 W440R306-H311 HydrophobicContact CB-CB 4.44Å; R306-H311 HydrophobicContact CG-CB 4.48Å; S307-H311 PolarHBondContact O-N 3.18Å; H311-W440 HydrophobicContact CB-CZ2 4.22Å
312T85.4Confident87Confident130 Ų13068.3 Ų68.380%0.79837%0.369SS*.  trans-80.1136.3168.356.20000110.4P314T312-P314 VanDerWaalsContact O-CD 3.29Å; T312-P314 WeakPolarHBondContact O-CD 3.49Å
313M85.6Confident86.4Confident22 Ų2268.3 Ų68.311%0.10837%0.373CS..  trans-84.8113.9-179.7179.3163.34800111.4V317 K318 L322 D439 W440 V443M313-V317 HydrophobicContact CG-CB 4.21Å; M313-V317 HydrophobicContact CG-CG1 4.1Å; M313-V317 HydrophobicContact SD-CG1 4.16Å; M313-K318 HydrophobicContact CE-CD 4.19Å; M313-K318 HydrophobicContact CE-CG 3.99Å; M313-K318 HydrophobicContact CG-CD 4.49Å; M313-K318 HydrophobicContact CG-CG 3.83Å; M313-K318 WeakPolarHBondContact O-CE 3.39Å; M313-K318 HydrophobicContact SD-CG 3.95Å; M313-L322 HydrophobicContact CE-CD1 4.18Å; M313-L322 HydrophobicContact SD-CD1 4.44Å; M313-D439 HydrophobicContact CE-CB 3.83Å; M313-W440 HydrophobicContact CB-CH2 4.4Å; M313-W440 HydrophobicContact CB-CZ2 3.78Å; M313-W440 HydrophobicContact CG-CH2 4.43Å; M313-W440 HydrophobicContact CG-CZ2 4.26Å; M313-V443 HydrophobicContact SD-CG2 4.32Å
314P88.4Confident86.1Confident51 Ų5174.2 Ų74.233%0.33140%0.396SS..  trans-64148.8-178-21.333.6000113.1T312 W316 V317 K318T312-P314 VanDerWaalsContact O-CD 3.29Å; T312-P314 WeakPolarHBondContact O-CD 3.49Å; P314-W316 HydrophobicContact CB-CG 4.27Å; P314-W316 PolarHBondContact O-N 2.94Å; P314-V317 HydrophobicContact CB-CG2 4.17Å; P314-V317 HydrophobicContact CG-CG2 4.06Å; P314-V317 WeakPolarHBondContact O-CB 3.41Å; P314-V317 PolarHBondContact O-N 3.36Å; P314-K318 PolarHBondContact O-N 2.95Å
315A84.7Confident85.8Confident83 Ų8375 Ų7569%0.68640%0.401SS*.Hα-helixtrans-57.9-34.4-179.700000113.5K318 L319A315-K318 PolarHBondContact O-N 3.12Å; A315-L319 PolarHBondContact O-N 3.38Å; A315-L319 VanDerWaalsContact O-N 3.11Å
316W89.3Confident85.6Confident156 Ų15669 Ų6959%0.59137%0.373SS*.Hα-helixtrans-67.8-35.9177.170.1-101.3000112.7P314 K318 L319 I320 F321P314-W316 HydrophobicContact CB-CG 4.27Å; P314-W316 PolarHBondContact O-N 2.94Å; W316-K318 VanDerWaalsContact C-N 3.33Å; W316-K318 PolarHBondContact O-N 3.46Å; W316-L319 PolarHBondContact O-N 2.97Å; W316-I320 HydrophobicContact CE3-CD1 4.1Å; W316-I320 WeakPolarHBondContact O-CG1 3.44Å; W316-I320 PolarHBondContact O-N 3.1Å; W316-F321 HydrophobicContact CZ3-CE2 4.08Å
317V88.5Confident85.2Confident10 Ų1069.3 Ų69.36%0.06139%0.39CS..Hα-helixtrans-62.9-43.5175.2175.80000109.7M313 P314 L319 I320 F321 V443M313-V317 HydrophobicContact CG-CB 4.21Å; M313-V317 HydrophobicContact CG-CG1 4.1Å; M313-V317 HydrophobicContact SD-CG1 4.16Å; P314-V317 HydrophobicContact CB-CG2 4.17Å; P314-V317 HydrophobicContact CG-CG2 4.06Å; P314-V317 WeakPolarHBondContact O-CB 3.41Å; P314-V317 PolarHBondContact O-N 3.36Å; V317-L319 PolarHBondContact O-N 2.83Å; V317-I320 PolarHBondContact O-N 3.01Å; V317-F321 HydrophobicContact CB-CD2 4.5Å; V317-F321 HydrophobicContact CG1-CD2 3.92Å; V317-F321 WeakPolarHBondContact O-CB 3.3Å; V317-F321 PolarHBondContact O-N 3.34Å; V317-V443 HydrophobicContact CG1-CG1 4.26Å; V317-V443 HydrophobicContact CG1-CG2 4.32Å
318K83.7Confident85.1Confident99 Ų9974.1 Ų74.143%0.4341%0.413SS..Iπ-helixtrans-59.5-47.2176.4-56.3-170.1-169.9-165.80111.4M313 P314 A315 W316 L322M313-K318 HydrophobicContact CE-CD 4.19Å; M313-K318 HydrophobicContact CE-CG 3.99Å; M313-K318 HydrophobicContact CG-CD 4.49Å; M313-K318 HydrophobicContact CG-CG 3.83Å; M313-K318 WeakPolarHBondContact O-CE 3.39Å; M313-K318 HydrophobicContact SD-CG 3.95Å; P314-K318 PolarHBondContact O-N 2.95Å; A315-K318 PolarHBondContact O-N 3.12Å; W316-K318 VanDerWaalsContact C-N 3.33Å; W316-K318 PolarHBondContact O-N 3.46Å; K318-L322 HydrophobicContact CB-CD1 4.01Å; K318-L322 HydrophobicContact CG-CD1 4.12Å; K318-L322 WeakPolarHBondContact O-CB 3.34Å; K318-L322 PolarHBondContact O-N 3.3Å; K318-L322 VanDerWaalsContact O-N 3.12Å
319L84Confident85Confident106 Ų10674.1 Ų74.156%0.55541%0.411SS*.Iπ-helixtrans-62.9-46.4179.2-166.685.5000112.5A315 W316 V317 V323 K324A315-L319 PolarHBondContact O-N 3.38Å; A315-L319 VanDerWaalsContact O-N 3.11Å; W316-L319 PolarHBondContact O-N 2.97Å; V317-L319 PolarHBondContact O-N 2.83Å; L319-V323 WeakPolarHBondContact O-CB 3.5Å; L319-K324 PolarHBondContact O-N 3.37Å; L319-K324 VanDerWaalsContact O-N 3.11Å
320I87.2Confident84.9Confident69 Ų6978.1 Ų78.135%0.35442%0.415SS..Iπ-helixtrans-76.2-53.8-173.7-66.3-178.2000111.2W316 V317 K324 L325W316-I320 HydrophobicContact CE3-CD1 4.1Å; W316-I320 WeakPolarHBondContact O-CG1 3.44Å; W316-I320 PolarHBondContact O-N 3.1Å; V317-I320 PolarHBondContact O-N 3.01Å; I320-K324 PolarHBondContact O-N 3.42Å; I320-L325 HydrophobicContact CG2-CD1 3.76Å; I320-L325 HydrophobicContact CG2-CG 4.24Å; I320-L325 WeakPolarHBondContact O-CB 3.26Å; I320-L325 PolarHBondContact O-N 2.93Å
321F86.4Confident84.5Confident35 Ų3576.2 Ų76.215%0.15440%0.401CS..Iπ-helixtrans-91.9-22.3-169.8-64.7-79.7000114.9W316 V317 L325 P326 V443 V446 V447W316-F321 HydrophobicContact CZ3-CE2 4.08Å; V317-F321 HydrophobicContact CB-CD2 4.5Å; V317-F321 HydrophobicContact CG1-CD2 3.92Å; V317-F321 WeakPolarHBondContact O-CB 3.3Å; V317-F321 PolarHBondContact O-N 3.34Å; F321-L325 HydrophobicContact CD1-CD1 3.4Å; F321-L325 VanDerWaalsContact CD1-CD1 3.4Å; F321-L325 HydrophobicContact CE1-CD1 3.4Å; F321-L325 VanDerWaalsContact CE1-CD1 3.4Å; F321-L325 HydrophobicContact CG-CD1 4.24Å; F321-L325 HydrophobicContact CZ-CD1 4.28Å; F321-P326 VanDerWaalsContact O-CD 3.24Å; F321-P326 WeakPolarHBondContact O-CD 3.32Å; F321-P326 WeakPolarHBondContact O-CG 3.49Å; F321-V443 HydrophobicContact CB-CB 4.37Å; F321-V443 HydrophobicContact CB-CG1 3.88Å; F321-V443 HydrophobicContact CB-CG2 3.94Å; F321-V443 HydrophobicContact CD1-CG1 4.48Å; F321-V443 HydrophobicContact CD2-CG1 4.42Å; F321-V443 HydrophobicContact CG-CG1 4.02Å; F321-V446 HydrophobicContact CD1-CG1 4.41Å; F321-V447 HydrophobicContact CD1-CG2 3.63Å; F321-V447 HydrophobicContact CE1-CG2 3.45Å; F321-V447 VanDerWaalsContact CE1-CG2 3.45Å; F321-V447 HydrophobicContact CZ-CG2 4.22Å
322L82.2Confident83.6Confident24 Ų2482.2 Ų82.213%0.12643%0.426CS..Iπ-helixtrans-95.1-18.7175.9-52.8176.3000113.5M313 K318 Y442 V443M313-L322 HydrophobicContact CE-CD1 4.18Å; M313-L322 HydrophobicContact SD-CD1 4.44Å; K318-L322 HydrophobicContact CB-CD1 4.01Å; K318-L322 HydrophobicContact CG-CD1 4.12Å; K318-L322 WeakPolarHBondContact O-CB 3.34Å; K318-L322 PolarHBondContact O-N 3.3Å; K318-L322 VanDerWaalsContact O-N 3.12Å; L322-Y442 HydrophobicContact CD2-CD1 3.71Å; L322-Y442 HydrophobicContact CD2-CE1 4.4Å; L322-V443 HydrophobicContact CD2-CG2 3.61Å; L322-V443 HydrophobicContact CG-CG2 4.24Å
323V78.9Confident82.8Confident90 Ų9080.2 Ų80.255%0.54540%0.403SS..Iπ-helixtrans-124.1-57.8-174-172.20000112.9L319 A327L319-V323 WeakPolarHBondContact O-CB 3.5Å; V323-A327 WeakPolarHBondContact O-CB 3.45Å
324K83.6Confident81.6Confident142 Ų14283.3 Ų83.362%0.61743%0.425SS*.Iπ-helixtrans-74.8-52.1-172-69.9-72-173.2174.80113.6L319 I320 A327 L328L319-K324 PolarHBondContact O-N 3.37Å; L319-K324 VanDerWaalsContact O-N 3.11Å; I320-K324 PolarHBondContact O-N 3.42Å; K324-A327 PolarHBondContact O-N 2.97Å; K324-L328 PolarHBondContact O-N 3.5Å
325L83.8Confident79.8Confident26 Ų2688.7 Ų88.714%0.13645%0.446CS..Hα-helixtrans-67.3-41.5-178.8-78.3169.3000113.9I320 F321 A327 L328 L329 V446 M450I320-L325 HydrophobicContact CG2-CD1 3.76Å; I320-L325 HydrophobicContact CG2-CG 4.24Å; I320-L325 WeakPolarHBondContact O-CB 3.26Å; I320-L325 PolarHBondContact O-N 2.93Å; F321-L325 HydrophobicContact CD1-CD1 3.4Å; F321-L325 VanDerWaalsContact CD1-CD1 3.4Å; F321-L325 HydrophobicContact CE1-CD1 3.4Å; F321-L325 VanDerWaalsContact CE1-CD1 3.4Å; F321-L325 HydrophobicContact CG-CD1 4.24Å; F321-L325 HydrophobicContact CZ-CD1 4.28Å; L325-A327 VanDerWaalsContact C-N 3.27Å; L325-A327 PolarHBondContact O-N 2.94Å; L325-L328 HydrophobicContact CD2-CD2 4.35Å; L325-L328 PolarHBondContact O-N 3.11Å; L325-L328 VanDerWaalsContact O-N 3.15Å; L325-L329 WeakPolarHBondContact O-CB 3.4Å; L325-L329 WeakPolarHBondContact O-CG 3.43Å; L325-L329 PolarHBondContact O-N 2.94Å; L325-V446 HydrophobicContact CB-CG1 3.79Å; L325-M450 HydrophobicContact CD1-SD 4.11Å; L325-M450 HydrophobicContact CD2-SD 4.24Å
326P84.2Confident78.3Confident6 Ų690.7 Ų90.74%0.03945%0.445CS..Hα-helixtrans-59.8-37.3175.5-27.437.2000113.1F321 L329 F330 M331 Y442 V446F321-P326 VanDerWaalsContact O-CD 3.24Å; F321-P326 WeakPolarHBondContact O-CD 3.32Å; F321-P326 WeakPolarHBondContact O-CG 3.49Å; P326-L329 CarbonylContact O-C 3.58Å; P326-L329 PolarHBondContact O-N 2.72Å; P326-F330 PolarHBondContact O-N 3.24Å; P326-F330 VanDerWaalsContact O-N 3.11Å; P326-M331 HydrophobicContact CB-CB 4.22Å; P326-M331 PolarHBondContact O-N 3.42Å; P326-Y442 HydrophobicContact CG-CE1 3.97Å; P326-V446 HydrophobicContact CG-CG1 4.19Å; P326-V446 HydrophobicContact CG-CG2 3.9Å
327A81.8Confident76.6Confident71 Ų7185.7 Ų85.759%0.58743%0.427SS*.Hα-helixtrans-66.8-38.8175.700000112.4V323 K324 L325V323-A327 WeakPolarHBondContact O-CB 3.45Å; K324-A327 PolarHBondContact O-N 2.97Å; L325-A327 VanDerWaalsContact C-N 3.27Å; L325-A327 PolarHBondContact O-N 2.94Å
328L84.6Confident74.8Confident128 Ų12887.6 Ų87.667%0.6744%0.44SS*.Hα-helixtrans-68.3-37.4175-174.968.4000112.5K324 L325 F330K324-L328 PolarHBondContact O-N 3.5Å; L325-L328 HydrophobicContact CD2-CD2 4.35Å; L325-L328 PolarHBondContact O-N 3.11Å; L325-L328 VanDerWaalsContact O-N 3.15Å; L328-F330 VanDerWaalsContact C-N 3.3Å
329L81.8Confident73.4Confident32 Ų3285.2 Ų85.217%0.16844%0.439CS..THydrogen-bonded Turntrans-89.210.2-178.8-63.4172.9000113.4L325 P326 M331 V446 M450L325-L329 WeakPolarHBondContact O-CB 3.4Å; L325-L329 WeakPolarHBondContact O-CG 3.43Å; L325-L329 PolarHBondContact O-N 2.94Å; P326-L329 CarbonylContact O-C 3.58Å; P326-L329 PolarHBondContact O-N 2.72Å; L329-M331 HydrophobicContact CB-CG 4.03Å; L329-M331 PolarHBondContact O-N 2.64Å; L329-M331 VanDerWaalsContact O-N 3.14Å; L329-V446 HydrophobicContact CD1-CG1 4.27Å; L329-M450 HydrophobicContact CD1-CB 4.07Å
330F82.9Confident72.1Confident190 Ų19085.5 Ų85.583%0.83343%0.433SS*.THydrogen-bonded Turntrans5230.1-177.6-62.3-77.6000115.3P326 L328P326-F330 PolarHBondContact O-N 3.24Å; P326-F330 VanDerWaalsContact O-N 3.11Å; L328-F330 VanDerWaalsContact C-N 3.3Å
331M79.5Confident70.8Confident55 Ų5587.4 Ų87.427%0.27144%0.44SS..PPolyproline II helixtrans-85.7120.9179.6-60.9-147.5133.900111.8P326 L329 R449P326-M331 HydrophobicContact CB-CB 4.22Å; P326-M331 PolarHBondContact O-N 3.42Å; L329-M331 HydrophobicContact CB-CG 4.03Å; L329-M331 PolarHBondContact O-N 2.64Å; L329-M331 VanDerWaalsContact O-N 3.14Å; M331-R449 HydrophobicContact CE-CB 3.86Å; M331-R449 HydrophobicContact CE-CG 3.45Å; M331-R449 VanDerWaalsContact CE-CG 3.45Å; M331-R449 HydrophobicContact SD-CB 4.28Å; M331-R449 HydrophobicContact SD-CG 4.18Å
332K70.1Confident69.4Low202 Ų20294.1 Ų94.188%0.87846%0.464SS*.PPolyproline II helixtrans-84.8123.9168.4-68.3-178179.9176.80109.6
333R68.2Low68.4Low87 Ų8797.1 Ų97.133%0.32848%0.48SS..PPolyproline II helixtrans-63135.1171.6-164.2178.3-170.6-179.35.5109.3Q335 Y337 D439 Y442R333-Q335 PolarHBondContact O-N 3.26Å; R333-Y337 VanDerWaalsContact NH2-CE2 3.32Å; R333-Y337 PolarHBondContact NH2-OH 3.3Å; R333-Y337 VanDerWaalsContact NH2-OH 3.15Å; R333-D439 IonicContact CZ-OD1 3.62Å; R333-D439 VanDerWaalsContact NH2-CG 3.26Å; R333-D439 IonicContact NH2-OD1 2.87Å; R333-D439 PolarHBondContact NH2-OD1 2.97Å; R333-D439 IonicContact NH2-OD2 2.98Å; R333-D439 PolarHBondContact NH2-OD2 3.44Å; R333-Y442 HydrophobicContact CG-CE2 4.35Å
334P60.9Low67.5Low88 Ų8896 Ų9657%0.57147%0.466SS*.PPolyproline II helixtrans-58.8133.5-17720-31.7000112.3N336 Y337P334-N336 PolarHBondContact O-N 2.95Å; P334-N336 VanDerWaalsContact O-N 3.14Å; P334-Y337 PolarHBondContact O-N 3.41Å
335Q50.6Low66.4Low163 Ų16395.4 Ų95.476%0.76247%0.466SS*.THydrogen-bonded Turntrans-67-23.1-160.9-152.6162.61.400113.9R333 Y337 S338R333-Q335 PolarHBondContact O-N 3.26Å; Q335-Y337 PolarHBondContact O-N 3.46Å; Q335-S338 PolarHBondContact O-N 3.05Å; Q335-S338 PolarHBondContact O-OG 3.47Å
336N52.1Low65.4Low125 Ų12599.6 Ų99.667%0.66848%0.484SS*.Hα-helixtrans-60.2-28.4-179.3-66.9-7.6000113.7P334 S338 A339 R340P334-N336 PolarHBondContact O-N 2.95Å; P334-N336 VanDerWaalsContact O-N 3.14Å; N336-S338 VanDerWaalsContact C-N 3.28Å; N336-S338 PolarHBondContact O-N 3.33Å; N336-A339 PolarHBondContact O-N 3.03Å; N336-R340 PolarHBondContact O-N 3.2Å; N336-R340 VanDerWaalsContact O-N 3.08Å
337Y52.8Low64.4Low52 Ų52107.4 Ų107.420%0.20451%0.513CS..Hα-helixtrans-60.5-39.9175.2-163.4-85.1000111.1R333 P334 Q335 A339 R340 Q341 D439R333-Y337 VanDerWaalsContact NH2-CE2 3.32Å; R333-Y337 PolarHBondContact NH2-OH 3.3Å; R333-Y337 VanDerWaalsContact NH2-OH 3.15Å; P334-Y337 PolarHBondContact O-N 3.41Å; Q335-Y337 PolarHBondContact O-N 3.46Å; Y337-A339 VanDerWaalsContact C-N 3.33Å; Y337-A339 PolarHBondContact O-N 3.2Å; Y337-R340 PolarHBondContact O-N 3.36Å; Y337-Q341 WeakPolarHBondContact O-CB 3.4Å; Y337-Q341 PolarHBondContact O-N 3.1Å; Y337-D439 VanDerWaalsContact CE2-OD1 3.3Å; Y337-D439 WeakPolarHBondContact CE2-OD1 3.49Å; Y337-D439 PolarHBondContact OH-OD1 3.28Å; Y337-D439 PolarHBondContact OH-OD2 2.87Å; Y337-D439 VanDerWaalsContact OH-OD2 3.12Å
338S52.4Low63.4Low49 Ų49107.5 Ų107.534%0.34351%0.509SS..Hα-helixtrans-68.3-29.9179.373.30000113.3Q335 N336 R342Q335-S338 PolarHBondContact O-N 3.05Å; Q335-S338 PolarHBondContact O-OG 3.47Å; N336-S338 VanDerWaalsContact C-N 3.28Å; N336-S338 PolarHBondContact O-N 3.33Å; S338-R342 WeakPolarHBondContact O-CB 3.39Å; S338-R342 WeakPolarHBondContact O-CD 3.26Å; S338-R342 WeakPolarHBondContact O-CG 3.1Å; S338-R342 PolarHBondContact O-N 3.46Å; S338-R342 VanDerWaalsContact O-N 3.07Å
339A52.5Low62.3Low50 Ų50106.8 Ų106.841%0.41351%0.505SS..Hα-helixtrans-74.2-48175.400000111.5N336 Y337 Q341 R342 L343N336-A339 PolarHBondContact O-N 3.03Å; Y337-A339 VanDerWaalsContact C-N 3.33Å; Y337-A339 PolarHBondContact O-N 3.2Å; A339-Q341 PolarHBondContact O-N 2.94Å; A339-R342 PolarHBondContact O-N 3.49Å; A339-L343 WeakPolarHBondContact O-CB 3.43Å; A339-L343 WeakPolarHBondContact O-CG 3.47Å; A339-L343 PolarHBondContact O-N 2.95Å
340R56.8Low61.3Low112 Ų112114 Ų11442%0.42353%0.53SS..Hα-helixtrans-59.9-43.7173.8-71.9-174.9-177160.2-4.9111.6N336 Y337 L343 R344 E438N336-R340 PolarHBondContact O-N 3.2Å; N336-R340 VanDerWaalsContact O-N 3.08Å; Y337-R340 PolarHBondContact O-N 3.36Å; R340-L343 WeakPolarHBondContact O-CB 3.46Å; R340-L343 PolarHBondContact O-N 3.48Å; R340-R344 PolarHBondContact O-N 3.17Å; R340-E438 IonicContact CZ-OE1 2.75Å; R340-E438 IonicContact NH1-OE1 3.04Å; R340-E438 PolarHBondContact NH1-OE1 3.28Å; R340-E438 IonicContact NH1-OE2 2.86Å; R340-E438 PolarHBondContact NH1-OE2 3.32Å
341Q60.1Low60.2Low109 Ų109107.5 Ų107.551%0.50951%0.512SS..Hα-helixtrans-66.4-38.9179.5-166.5175.114.400112.5Y337 A339 R344 Q345Y337-Q341 WeakPolarHBondContact O-CB 3.4Å; Y337-Q341 PolarHBondContact O-N 3.1Å; A339-Q341 PolarHBondContact O-N 2.94Å; Q341-R344 PolarHBondContact O-N 3.45Å; Q341-Q345 WeakPolarHBondContact O-CB 3.34Å; Q341-Q345 PolarHBondContact O-N 2.87Å
342R57.8Low59.1Low175 Ų175113.4 Ų113.466%0.6653%0.531SS*.Hα-helixtrans-63-42171-77.2171.7-176.1-177.82.4112S338 A339 Q345 Q346S338-R342 WeakPolarHBondContact O-CB 3.39Å; S338-R342 WeakPolarHBondContact O-CD 3.26Å; S338-R342 WeakPolarHBondContact O-CG 3.1Å; S338-R342 PolarHBondContact O-N 3.46Å; S338-R342 VanDerWaalsContact O-N 3.07Å; A339-R342 PolarHBondContact O-N 3.49Å; R342-Q345 PolarHBondContact O-N 3.46Å; R342-Q346 WeakPolarHBondContact O-CB 3.48Å; R342-Q346 WeakPolarHBondContact O-CG 3.22Å; R342-Q346 PolarHBondContact O-N 3.37Å
343L60.4Low58.4Low88 Ų88107.1 Ų107.146%0.46151%0.513SS..Hα-helixtrans-63.7-42.8175-76.4162.3000111.9A339 R340 Q346 R347A339-L343 WeakPolarHBondContact O-CB 3.43Å; A339-L343 WeakPolarHBondContact O-CG 3.47Å; A339-L343 PolarHBondContact O-N 2.95Å; R340-L343 WeakPolarHBondContact O-CB 3.46Å; R340-L343 PolarHBondContact O-N 3.48Å; L343-Q346 PolarHBondContact O-N 2.93Å; L343-R347 WeakPolarHBondContact O-CB 3.33Å; L343-R347 VanDerWaalsContact O-CG 3.27Å; L343-R347 WeakPolarHBondContact O-CG 3.27Å; L343-R347 PolarHBondContact O-N 3.21Å
344R60.8Low57.8Low65 Ų65105.9 Ų105.925%0.24552%0.521CS..Hα-helixtrans-60.3-46.4172.2-74.9-165.5-169161.913.7111.6R340 Q341 Q346 R347 C348 D431 D432 S435R340-R344 PolarHBondContact O-N 3.17Å; Q341-R344 PolarHBondContact O-N 3.45Å; R344-Q346 PolarHBondContact O-N 3.48Å; R344-R347 PolarHBondContact O-N 2.91Å; R344-C348 WeakPolarHBondContact O-CB 3.37Å; R344-C348 PolarHBondContact O-N 2.87Å; R344-D431 IonicContact CZ-OD2 3.95Å; R344-D431 IonicContact NE-OD2 3Å; R344-D431 PolarHBondContact NE-OD2 3.11Å; R344-D431 PolarHBondContact NH2-O 3.49Å; R344-D431 IonicContact NH2-OD1 3.36Å; R344-D431 PolarHBondContact NH2-OD1 3.1Å; R344-D431 IonicContact NH2-OD2 3.1Å; R344-D431 PolarHBondContact NH2-OD2 3.32Å; R344-D432 IonicContact CZ-OD1 3.01Å; R344-D432 VanDerWaalsContact CZ-OD1 3.27Å; R344-D432 IonicContact NE-OD1 2.8Å; R344-D432 IonicContact NH1-OD1 2.78Å; R344-D432 PolarHBondContact NH1-OD1 3.01Å; R344-S435 PolarHBondContact NH1-OG 2.94Å; R344-S435 PolarHBondContact NH2-OG 3.46Å
345Q60.3Low57.4Low131 Ų131107.7 Ų107.761%0.61253%0.525SS*.Hα-helixtrans-63.1-41.8-179.6-158.8170.421.300111.5Q341 R342 L349Q341-Q345 WeakPolarHBondContact O-CB 3.34Å; Q341-Q345 PolarHBondContact O-N 2.87Å; R342-Q345 PolarHBondContact O-N 3.46Å; Q345-L349 WeakPolarHBondContact O-CB 3.45Å; Q345-L349 WeakPolarHBondContact O-CD1 3.08Å; Q345-L349 WeakPolarHBondContact O-CG 3.28Å; Q345-L349 PolarHBondContact O-N 3.29Å
346Q62Low57.4Low113 Ų113106.2 Ų106.253%0.52852%0.522SS..Hα-helixtrans-65.4-40.1172.8-74.5179.8-19.300113.3R342 L343 R344 R350R342-Q346 WeakPolarHBondContact O-CB 3.48Å; R342-Q346 WeakPolarHBondContact O-CG 3.22Å; R342-Q346 PolarHBondContact O-N 3.37Å; L343-Q346 PolarHBondContact O-N 2.93Å; R344-Q346 PolarHBondContact O-N 3.48Å; Q346-R350 WeakPolarHBondContact O-CG 3.42Å; Q346-R350 PolarHBondContact O-N 3.41Å; Q346-R350 VanDerWaalsContact O-N 3.08Å
347R63.6Low57.2Low171 Ų171104.2 Ų104.265%0.64552%0.518SS*.Hα-helixtrans-67.8-43.7177.2-75.1174.1179.5-175.7-1.3112.2L343 R344 R350 A351L343-R347 WeakPolarHBondContact O-CB 3.33Å; L343-R347 VanDerWaalsContact O-CG 3.27Å; L343-R347 WeakPolarHBondContact O-CG 3.27Å; L343-R347 PolarHBondContact O-N 3.21Å; R344-R347 PolarHBondContact O-N 2.91Å; R347-R350 PolarHBondContact O-N 3.44Å; R347-A351 PolarHBondContact O-N 3.48Å
348C62.3Low56.8Low73 Ų73105.9 Ų105.949%0.49354%0.537SS..Hα-helixtrans-65.9-39177.7-171.70000112.1R344 A351 R352R344-C348 WeakPolarHBondContact O-CB 3.37Å; R344-C348 PolarHBondContact O-N 2.87Å; C348-A351 PolarHBondContact O-N 3.39Å; C348-R352 PolarHBondContact O-N 3.47Å
349L61.1Low56.1Low113 Ų113110.4 Ų110.459%0.59256%0.557SS**Hα-helixtrans-61.3-42.6171.4-74.9167.3000111.9Q345 R352 S353Q345-L349 WeakPolarHBondContact O-CB 3.45Å; Q345-L349 WeakPolarHBondContact O-CD1 3.08Å; Q345-L349 WeakPolarHBondContact O-CG 3.28Å; Q345-L349 PolarHBondContact O-N 3.29Å; L349-R352 PolarHBondContact O-N 3.28Å; L349-S353 PolarHBondContact O-N 2.87Å; L349-S353 PolarHBondContact O-OG 2.98Å
350R60.7Low55.4Low182 Ų182113 Ų11369%0.68757%0.572SS**Hα-helixtrans-64.5-40.5175.6-76.6177.6178.9174.20.3113.1Q346 R347 S353 A354Q346-R350 WeakPolarHBondContact O-CG 3.42Å; Q346-R350 PolarHBondContact O-N 3.41Å; Q346-R350 VanDerWaalsContact O-N 3.08Å; R347-R350 PolarHBondContact O-N 3.44Å; R350-S353 WeakPolarHBondContact CA-OG 3.45Å; R350-S353 PolarHBondContact O-N 3.26Å; R350-S353 PolarHBondContact O-OG 2.97Å; R350-A354 PolarHBondContact O-N 3.08Å
351A60.3Low54.6Low55 Ų55112 Ų11246%0.45559%0.587SS.*Hα-helixtrans-63.2-42.2175.400000111.8R347 C348 A354 L355R347-A351 PolarHBondContact O-N 3.48Å; C348-A351 PolarHBondContact O-N 3.39Å; A351-A354 PolarHBondContact O-N 3.44Å; A351-L355 PolarHBondContact O-N 3.27Å; A351-L355 VanDerWaalsContact O-N 3.16Å
352R55.3Low53.4Low179 Ų179116.1 Ų116.168%0.67560%0.604SS**Hα-helixtrans-63.1-41.2173.6-91.7-178.4160.6174.9-5.3113.2C348 L349 A354 L356C348-R352 PolarHBondContact O-N 3.47Å; L349-R352 PolarHBondContact O-N 3.28Å; R352-A354 VanDerWaalsContact C-N 3.33Å; R352-A354 PolarHBondContact O-N 2.6Å; R352-L356 WeakPolarHBondContact O-CG 3.44Å; R352-L356 PolarHBondContact O-N 3.15Å
353S55.3Low52.1Low70 Ų70113.8 Ų113.849%0.4962%0.615SS.*Hα-helixtrans-65.6-35.3175.8520000112.8L349 R350 L356 S357L349-S353 PolarHBondContact O-N 2.87Å; L349-S353 PolarHBondContact O-OG 2.98Å; R350-S353 WeakPolarHBondContact CA-OG 3.45Å; R350-S353 PolarHBondContact O-N 3.26Å; R350-S353 PolarHBondContact O-OG 2.97Å; S353-L356 PolarHBondContact O-N 3.03Å; S353-S357 PolarHBondContact O-N 3.3Å; S353-S357 PolarHBondContact O-OG 3.24Å; S353-S357 VanDerWaalsContact O-OG 3.12Å
354A56.6Low50.7Low61 Ų61116.3 Ų116.350%0.50463%0.634SS.*Hα-helixtrans-68.6-38178.800000112.8R350 A351 R352 S357R350-A354 PolarHBondContact O-N 3.08Å; A351-A354 PolarHBondContact O-N 3.44Å; R352-A354 VanDerWaalsContact C-N 3.33Å; R352-A354 PolarHBondContact O-N 2.6Å; A354-S357 WeakPolarHBondContact CA-OG 3.45Å; A354-S357 PolarHBondContact O-OG 2.81Å
355L52.8Low49.8Very low125 Ų125119.3 Ų119.365%0.65466%0.662SS**Hα-helixtrans-65.4-44.8173.9-77.2162.3000111.9A351 S357 S358A351-L355 PolarHBondContact O-N 3.27Å; A351-L355 VanDerWaalsContact O-N 3.16Å; L355-S357 PolarHBondContact O-N 2.99Å; L355-S358 WeakPolarHBondContact O-CB 3.31Å; L355-S358 PolarHBondContact O-N 2.97Å
356L49.7Very low48.3Very low133 Ų133116.8 Ų116.870%0.69667%0.671SS**Hα-helixtrans-63.2-27179.3-76.4165.3000113.6R352 S353 S358R352-L356 WeakPolarHBondContact O-CG 3.44Å; R352-L356 PolarHBondContact O-N 3.15Å; S353-L356 PolarHBondContact O-N 3.03Å; L356-S358 VanDerWaalsContact C-N 3.29Å; L356-S358 PolarHBondContact O-N 3.21Å
357S47Very low46.8Very low83 Ų83120.2 Ų120.258%0.5869%0.686SS**THydrogen-bonded Turntrans-77.3-6.8173.943.20000114.9S353 A354 L355S353-S357 PolarHBondContact O-N 3.3Å; S353-S357 PolarHBondContact O-OG 3.24Å; S353-S357 VanDerWaalsContact O-OG 3.12Å; A354-S357 WeakPolarHBondContact CA-OG 3.45Å; A354-S357 PolarHBondContact O-OG 2.81Å; L355-S357 PolarHBondContact O-N 2.99Å
358S45.8Very low45.2Very low86 Ų86121.6 Ų121.660%0.60170%0.697SS**THydrogen-bonded Turntrans-90-25.4179.7-165.80000113.9L355 L356L355-S358 WeakPolarHBondContact O-CB 3.31Å; L355-S358 PolarHBondContact O-N 2.97Å; L356-S358 VanDerWaalsContact C-N 3.29Å; L356-S358 PolarHBondContact O-N 3.21Å
359D37.7Very low43.7Very low145 Ų145125.6 Ų125.678%0.77571%0.714SS**THydrogen-bonded Turntrans-91-6.3-170.6-79.2-20.5000114.4
360S38Very low42.2Very low103 Ų103127.5 Ų127.572%0.7273%0.73SS**THydrogen-bonded Turntrans-94.613.5-175.767.30000115.2
361A38.6Very low40.6Very low91 Ų91122.6 Ų122.675%0.75273%0.728SS**SBendtrans-99.46.7-171.400000115.4
362F35.9Very low39.1Very low197 Ų197125.5 Ų125.586%0.86475%0.745SS**  trans-137.981.8-179-164.9-95.2000113
363S29.1Very low38.4Very low125 Ų125122.9 Ų122.987%0.87475%0.751SS**  trans-168.8105.5161.6-79.60000112.1
364T32.6Very low37.3Very low141 Ų141127.1 Ų127.187%0.86577%0.765SS**  trans-80.9171.2157.111.10000109.9
365P41.3Very low35.9Very low128 Ų128128.1 Ų128.183%0.83178%0.781SS**  cis-135.3-176.2241.5-24000115.3
366G28Very low34.8Very low78 Ų78128.8 Ų128.880%0.80478%0.781SS**  trans140.9127.5149.700000118.2
367H30.7Very low33.7Very low185 Ų185127.7 Ų127.786%0.85678%0.784SS**  trans-70.5142.3171.9-84.3-102.9000113.5
368K29.6Very low32.8Very low201 Ų201132.9 Ų132.987%0.87479%0.792SS**  177.8149.3107.1-95.9173.6-175.2178.50113
369N30.8Very low32Very low157 Ų157134.2 Ų134.284%0.8480%0.797SS**  trans-79.5141.5-179.9-55.5-27.3000112.6
370V30.7Very low31.6Very low152 Ų152133.3 Ų133.392%0.92179%0.792SS**  trans-142.7144143.7-178.10000107.4
371A27.3Very low31Very low79 Ų79140.1 Ų140.165%0.65380%0.802SS**  trans-118.5151.4-169.500000113.9
372S28.5Very low30.6Very low116 Ų116142.1 Ų142.181%0.81180%0.797SS**  trans70163.8147.7-68.70000118.3
373P41.5Very low30.3Very low124 Ų124140.1 Ų140.181%0.80579%0.79SS**  cis-129.8166.710.439.5-22.4000118.7
374M30.4Very low30.9Very low160 Ų160138.6 Ų138.679%0.78878%0.778SS**  trans-46.5151.3164.9-169.4168.679.600116.1
375G29Very low30.7Very low81 Ų81138.6 Ų138.684%0.83577%0.771SS**  trans-150.3117.7165.300000111.6
376H28.8Very low30.2Very low140 Ų140141.6 Ų141.665%0.64877%0.774SS**  trans-108.4140.1-175.6-95.3-87.2000112.7
377S26.5Very low30.1Very low109 Ų109143.2 Ų143.276%0.76277%0.773SS**  trans-169.1113.2150.451.30000108.1
378Y27.8Very low30.1Very low193 Ų193138.2 Ų138.276%0.75777%0.771SS**  49.3135.769-71.7-88.3000112.7
379T29.7Very low30Very low113 Ų113135.1 Ų135.169%0.69376%0.764SS**  cis-173.6168-15.311.40000106.3
380N28.2Very low30.1Very low126 Ų126139.2 Ų139.267%0.67477%0.77SS**  cis-158.6165-2.6-140.9-11.7000109.3
381R26.6Very low30.1Very low247 Ų247139.5 Ų139.593%0.93277%0.765SS**  trans-153.496.1142.3-142.7174.9-172.4172.83114.1
382M29.6Very low30.2Very low132 Ų132143.5 Ų143.565%0.6577%0.772SS**  trans-47.7160.1155.2-116.7107.616100111.6
383E29.5Very low30.1Very low155 Ų155143.3 Ų143.372%0.72477%0.771SS**  cis-167.2-170.521.7-137.8171.7-15300110.8
384P41.9Very low29.5Very low93 Ų93140.4 Ų140.460%0.60476%0.763SS**  -144.4-157.9-94.853.4-37.4000117.7
385I29.3Very low29.4Very low141 Ų141142.3 Ų142.372%0.72377%0.768SS**  trans70.5113148.5-68163.9000118.3
386Q29.2Very low29.5Very low191 Ų191145.7 Ų145.789%0.89377%0.767SS**  -154.5140.196.3-94.5-168.3-5.700111.9
387S26.1Very low29.6Very low113 Ų113143.8 Ų143.879%0.7977%0.769SS**  trans-99.3158.2-176.5-48.40000111.7
388G30.2Very low30.2Very low79 Ų79144.8 Ų144.881%0.81477%0.771SS**  trans-161.585.1172.500000111.3
389D28.6Very low30.8Very low137 Ų137144.1 Ų144.173%0.73378%0.775SS**  trans-67.1145.1178.1-63.4-62.6000112.6
390Y33.4Very low31.1Very low242 Ų242145.7 Ų145.795%0.94978%0.779SS**  trans-149.2124135.8-83.4-66.3000111.2
391L29.8Very low31.6Very low158 Ų158146.9 Ų146.983%0.82779%0.785SS**  trans-76.8173.6167.3-62.2151.4000108.8
392M28.6Very low32.5Very low163 Ų163143.9 Ų143.980%0.80378%0.781SS**  cis-168.1162.122.4-159169.361.300111.3
393S27.9Very low33.2Very low112 Ų112146.1 Ų146.178%0.78379%0.79SS**  trans67.5138.9153.4-142.70000119.1
394G28.1Very low33.6Very low63 Ų63149.6 Ų149.665%0.64980%0.796SS**  cis143.8118.1-5.500000112.6
395F28.7Very low33.8Very low200 Ų200149.9 Ų149.988%0.87780%0.8SS**  trans-158.5132.3154-143.1-98.8000111.7
396N31.5Very low34.6Very low152 Ų152146.9 Ų146.981%0.81379%0.786SS**  trans-83.5126.8169-73.8-26.5000109.1
397S31.1Very low35.9Very low100 Ų100142.1 Ų142.170%0.69977%0.771SS**  trans-152.375.6150.5-156.10000110.9
398T39.4Very low37.3Very low131 Ų131141 Ų14180%0.80476%0.756SS**  trans-74.4138.6151.547.90000107.9
399Q39.3Very low38.5Very low179 Ų179144.8 Ų144.884%0.83675%0.746SS**  trans8378.1-172.9-52.1178.4-5.300114.1
400D35.1Very low40.3Very low145 Ų145140.5 Ų140.578%0.77573%0.73SS**  -133.8130.2124-113.6-32.3000111
401L40.2Very low42Very low152 Ų152132.8 Ų132.880%0.79671%0.708SS**  trans22.3112.3170.2-84.772.2000120.4
402H44Very low44.1Very low184 Ų184130.1 Ų130.185%0.85270%0.695SS**  trans-44.6158134.1-83.3-92.7000111.5
403Q46.2Very low46.5Very low179 Ų179125.9 Ų125.984%0.83668%0.678SS**  trans97.263.1159.4-150.215628.400117.6
404R36.3Very low48.9Very low228 Ų228125.3 Ų125.386%0.8666%0.663SS**  trans-134.172.2136.7-133.4177.6-169.4173.83111.3N406R404-N406 PolarHBondContact O-N 3.39Å
405S47.4Very low51.4Low99 Ų99129 Ų12969%0.69266%0.663SS**  trans-7080.3165.853.10000109.4P407S405-P407 WeakPolarHBondContact O-CD 3.49Å
406N46.5Very low54Low78 Ų78122.4 Ų122.442%0.41765%0.645SS.*  trans-63.3122.1161.2-104.138000107.1R404 D408 W409R404-N406 PolarHBondContact O-N 3.39Å; N406-D408 PolarHBondContact O-N 3.24Å; N406-W409 PolarHBondContact O-NE1 3.14Å
407P55.6Low56.2Low90 Ų90120.7 Ų120.758%0.58463%0.634SS**Hα-helixtrans-61.1-30.5171.425.2-31.9000111S405 W409 A410 T411S405-P407 WeakPolarHBondContact O-CD 3.49Å; P407-W409 PolarHBondContact O-N 3.07Å; P407-A410 PolarHBondContact O-N 3.25Å; P407-A410 VanDerWaalsContact O-N 3.15Å; P407-T411 PolarHBondContact O-N 3.37Å; P407-T411 PolarHBondContact O-OG1 3.45Å
408D55.3Low58.5Low89 Ų89120 Ų12048%0.47662%0.622SS.*Hα-helixtrans-55-43.8-177.5-55-17.8000114.2N406 A410 T411 D412N406-D408 PolarHBondContact O-N 3.24Å; D408-A410 VanDerWaalsContact C-N 3.28Å; D408-A410 PolarHBondContact O-N 2.71Å; D408-T411 VanDerWaalsContact CA-OG1 3.26Å; D408-T411 WeakPolarHBondContact CA-OG1 3.41Å; D408-T411 PolarHBondContact O-N 3.48Å; D408-T411 PolarHBondContact O-OG1 3.45Å; D408-D412 WeakPolarHBondContact O-CB 3.45Å; D408-D412 PolarHBondContact O-N 3.3Å
409W56.3Low60.7Low159 Ų159115.4 Ų115.460%0.60260%0.602SS**Hα-helixtrans-68.6-31.3-177.883.1-96.1000112N406 P407 V413N406-W409 PolarHBondContact O-NE1 3.14Å; P407-W409 PolarHBondContact O-N 3.07Å; W409-V413 HydrophobicContact CE3-CG2 4.14Å; W409-V413 HydrophobicContact CZ3-CG2 4.47Å; W409-V413 WeakPolarHBondContact O-CB 3.4Å; W409-V413 VanDerWaalsContact O-CG2 3.27Å; W409-V413 WeakPolarHBondContact O-CG2 3.4Å; W409-V413 PolarHBondContact O-N 3.23Å; W409-V413 VanDerWaalsContact O-N 3.15Å
410A65.1Low62.9Low48 Ų48112 Ų11240%0.39759%0.592SS.*Hα-helixtrans-74.7-35.4176.500000110.8P407 D408 Q414P407-A410 PolarHBondContact O-N 3.25Å; P407-A410 VanDerWaalsContact O-N 3.15Å; D408-A410 VanDerWaalsContact C-N 3.28Å; D408-A410 PolarHBondContact O-N 2.71Å; A410-Q414 WeakPolarHBondContact O-CB 3.43Å; A410-Q414 PolarHBondContact O-N 3.47Å
411T70.7Confident65.1Low80 Ų80112.4 Ų112.449%0.49158%0.583SS.*Hα-helixtrans-70-41.5173.149.60000112.3P407 D408 V413 Q414 E415P407-T411 PolarHBondContact O-N 3.37Å; P407-T411 PolarHBondContact O-OG1 3.45Å; D408-T411 VanDerWaalsContact CA-OG1 3.26Å; D408-T411 WeakPolarHBondContact CA-OG1 3.41Å; D408-T411 PolarHBondContact O-N 3.48Å; D408-T411 PolarHBondContact O-OG1 3.45Å; T411-V413 PolarHBondContact O-N 3.25Å; T411-Q414 CarbonylContact O-C 3.58Å; T411-Q414 PolarHBondContact O-N 3Å; T411-E415 WeakPolarHBondContact O-CB 3.39Å; T411-E415 PolarHBondContact O-N 3.19Å
412D72.8Confident67.5Low102 Ų102111.7 Ų111.755%0.54557%0.574SS.*Hα-helixtrans-63-43178.2-67.9-8.5000111.5D408 E415 A416D408-D412 WeakPolarHBondContact O-CB 3.45Å; D408-D412 PolarHBondContact O-N 3.3Å; D412-E415 PolarHBondContact O-N 3.38Å; D412-A416 WeakPolarHBondContact O-CB 3.39Å; D412-A416 PolarHBondContact O-N 3.45Å
413V79.9Confident69.5Low74 Ų74106.6 Ų106.645%0.44856%0.556SS.*Hα-helixtrans-67.6-39.5175171.40000111.1W409 T411 A416 M417W409-V413 HydrophobicContact CE3-CG2 4.14Å; W409-V413 HydrophobicContact CZ3-CG2 4.47Å; W409-V413 WeakPolarHBondContact O-CB 3.4Å; W409-V413 VanDerWaalsContact O-CG2 3.27Å; W409-V413 WeakPolarHBondContact O-CG2 3.4Å; W409-V413 PolarHBondContact O-N 3.23Å; W409-V413 VanDerWaalsContact O-N 3.15Å; T411-V413 PolarHBondContact O-N 3.25Å; V413-A416 PolarHBondContact O-N 3.16Å; V413-M417 HydrophobicContact CG1-SD 4.31Å; V413-M417 WeakPolarHBondContact O-CB 3.43Å; V413-M417 VanDerWaalsContact O-CG 3.32Å; V413-M417 WeakPolarHBondContact O-CG 3.39Å; V413-M417 PolarHBondContact O-N 3.25Å
414Q76.8Confident71.2Confident99 Ų99100.3 Ų100.346%0.46353%0.534SS..Hα-helixtrans-66.5-37.1175.9-173.164.34400111.9A410 T411 M417 N418A410-Q414 WeakPolarHBondContact O-CB 3.43Å; A410-Q414 PolarHBondContact O-N 3.47Å; T411-Q414 CarbonylContact O-C 3.58Å; T411-Q414 PolarHBondContact O-N 3Å; Q414-M417 PolarHBondContact O-N 3.41Å; Q414-N418 PolarHBondContact NE2-OD1 2.87Å; Q414-N418 WeakPolarHBondContact O-CB 3.35Å; Q414-N418 PolarHBondContact O-N 3.47Å; Q414-N418 PolarHBondContact O-ND2 2.95Å; Q414-N418 PolarHBondContact O-OD1 3.3Å
415E80.8Confident73.4Confident141 Ų14194.3 Ų94.366%0.65952%0.516SS*.Hα-helixtrans-67.6-44.1174.9-173.9169.7179.600111T411 D412 M417 N418 G419T411-E415 WeakPolarHBondContact O-CB 3.39Å; T411-E415 PolarHBondContact O-N 3.19Å; D412-E415 PolarHBondContact O-N 3.38Å; E415-M417 VanDerWaalsContact C-N 3.35Å; E415-M417 PolarHBondContact O-N 3.34Å; E415-N418 PolarHBondContact O-N 3.1Å; E415-G419 PolarHBondContact O-N 3.34Å
416A83Confident75.3Confident61 Ų6194.1 Ų94.150%0.50450%0.504SS..Hα-helixtrans-60.7-41.7172.600000112.3D412 V413 G419 V420D412-A416 WeakPolarHBondContact O-CB 3.39Å; D412-A416 PolarHBondContact O-N 3.45Å; V413-A416 PolarHBondContact O-N 3.16Å; A416-G419 PolarHBondContact O-N 3.22Å; A416-V420 WeakPolarHBondContact O-CG2 3.37Å; A416-V420 PolarHBondContact O-N 3.31Å
417M78.5Confident76.9Confident117 Ų11796.6 Ų96.658%0.57652%0.515SS*.Hα-helixtrans-64.6-40.5174-76.4-177.464.400112.3V413 Q414 E415 V420 R421V413-M417 HydrophobicContact CG1-SD 4.31Å; V413-M417 WeakPolarHBondContact O-CB 3.43Å; V413-M417 VanDerWaalsContact O-CG 3.32Å; V413-M417 WeakPolarHBondContact O-CG 3.39Å; V413-M417 PolarHBondContact O-N 3.25Å; Q414-M417 PolarHBondContact O-N 3.41Å; E415-M417 VanDerWaalsContact C-N 3.35Å; E415-M417 PolarHBondContact O-N 3.34Å; M417-V420 PolarHBondContact O-N 3.12Å; M417-R421 VanDerWaalsContact O-CB 3.26Å; M417-R421 WeakPolarHBondContact O-CB 3.48Å; M417-R421 PolarHBondContact O-N 2.7Å
418N78.6Confident78.2Confident84 Ų8497.8 Ų97.845%0.44951%0.514SS..Hα-helixtrans-65.4-38.4174.5-71.5-17.7000111.4Q414 E415 R421 F422Q414-N418 PolarHBondContact NE2-OD1 2.87Å; Q414-N418 WeakPolarHBondContact O-CB 3.35Å; Q414-N418 PolarHBondContact O-N 3.47Å; Q414-N418 PolarHBondContact O-ND2 2.95Å; Q414-N418 PolarHBondContact O-OD1 3.3Å; E415-N418 PolarHBondContact O-N 3.1Å; N418-R421 PolarHBondContact O-N 3.38Å; N418-F422 WeakPolarHBondContact O-CB 3.46Å; N418-F422 PolarHBondContact O-N 3.48Å
419G86.6Confident79.5Confident36 Ų3696.5 Ų96.537%0.37151%0.512SS..Hα-helixtrans-64-47.1174.500000112.6E415 A416 R421 F422 V423E415-G419 PolarHBondContact O-N 3.34Å; A416-G419 PolarHBondContact O-N 3.22Å; G419-R421 VanDerWaalsContact C-N 3.31Å; G419-R421 PolarHBondContact O-N 3.07Å; G419-F422 PolarHBondContact O-N 2.86Å; G419-V423 WeakPolarHBondContact O-CG2 3.34Å; G419-V423 PolarHBondContact O-N 3.31Å
420V85.6Confident80.8Confident106 Ų10692.8 Ų92.864%0.64250%0.503SS*.Hα-helixtrans-62.5-39174.31720000111.2A416 M417 A424A416-V420 WeakPolarHBondContact O-CG2 3.37Å; A416-V420 PolarHBondContact O-N 3.31Å; M417-V420 PolarHBondContact O-N 3.12Å; V420-A424 WeakPolarHBondContact O-CB 3.48Å; V420-A424 PolarHBondContact O-N 2.65Å
421R82.2Confident81.7Confident155 Ų15592.7 Ų92.759%0.58550%0.497SS*.Hα-helixtrans-64.7-45.3175.1-178.9176.6175.7172.3-1.2112M417 N418 G419 A424 E425M417-R421 VanDerWaalsContact O-CB 3.26Å; M417-R421 WeakPolarHBondContact O-CB 3.48Å; M417-R421 PolarHBondContact O-N 2.7Å; N418-R421 PolarHBondContact O-N 3.38Å; G419-R421 VanDerWaalsContact C-N 3.31Å; G419-R421 PolarHBondContact O-N 3.07Å; R421-A424 PolarHBondContact O-N 3.48Å; R421-E425 HydrophobicContact CG-CG 4.41Å; R421-E425 IonicContact CZ-OE1 2.76Å; R421-E425 IonicContact NE-OE1 3.97Å; R421-E425 PolarHBondContact NE-OE1 3.41Å; R421-E425 IonicContact NH2-OE1 3.18Å; R421-E425 PolarHBondContact NH2-OE1 2.9Å; R421-E425 WeakPolarHBondContact O-CB 3.33Å; R421-E425 WeakPolarHBondContact O-CG 3.29Å; R421-E425 PolarHBondContact O-N 2.98Å
422F88.9Confident82.2Confident137 Ų13792.7 Ų92.760%0.60149%0.494SS*.Hα-helixtrans-61-45.2175.9175.8-96.6000111.4N418 G419 A424 E425 H426N418-F422 WeakPolarHBondContact O-CB 3.46Å; N418-F422 PolarHBondContact O-N 3.48Å; G419-F422 PolarHBondContact O-N 2.86Å; F422-A424 VanDerWaalsContact C-N 3.33Å; F422-A424 PolarHBondContact O-N 3.47Å; F422-E425 PolarHBondContact O-N 3.4Å; F422-H426 VanDerWaalsContact O-CB 3.24Å; F422-H426 WeakPolarHBondContact O-CB 3.44Å; F422-H426 PolarHBondContact O-N 3.23Å
423V85.9Confident82.8Confident77 Ų7791.1 Ų91.147%0.46749%0.485SS..Hα-helixtrans-60.9-42.6174.5170.80000111G419 M427G419-V423 WeakPolarHBondContact O-CG2 3.34Å; G419-V423 PolarHBondContact O-N 3.31Å; V423-M427 HydrophobicContact CG1-CG 4.31Å; V423-M427 HydrophobicContact CG1-SD 3.91Å; V423-M427 VanDerWaalsContact O-CB 3.29Å; V423-M427 WeakPolarHBondContact O-CB 3.46Å; V423-M427 WeakPolarHBondContact O-CG 3.3Å; V423-M427 PolarHBondContact O-N 3.18Å
424A83.5Confident83Confident47 Ų4792.3 Ų92.339%0.38849%0.486SS..Hα-helixtrans-65.9-43.2177.300000112.9V420 R421 F422 M428V420-A424 WeakPolarHBondContact O-CB 3.48Å; V420-A424 PolarHBondContact O-N 2.65Å; R421-A424 PolarHBondContact O-N 3.48Å; F422-A424 VanDerWaalsContact C-N 3.33Å; F422-A424 PolarHBondContact O-N 3.47Å; A424-M428 WeakPolarHBondContact O-CB 3.45Å; A424-M428 VanDerWaalsContact O-CG 3.27Å; A424-M428 WeakPolarHBondContact O-CG 3.19Å; A424-M428 PolarHBondContact O-N 2.82Å
425E81.7Confident83.3Confident101 Ų10188.2 Ų88.247%0.47247%0.468SS..Hα-helixtrans-67.1-41.1177.2-73.4177.8-175.400111.3R421 F422 M428 S429R421-E425 HydrophobicContact CG-CG 4.41Å; R421-E425 IonicContact CZ-OE1 2.76Å; R421-E425 IonicContact NE-OE1 3.97Å; R421-E425 PolarHBondContact NE-OE1 3.41Å; R421-E425 IonicContact NH2-OE1 3.18Å; R421-E425 PolarHBondContact NH2-OE1 2.9Å; R421-E425 WeakPolarHBondContact O-CB 3.33Å; R421-E425 WeakPolarHBondContact O-CG 3.29Å; R421-E425 PolarHBondContact O-N 2.98Å; F422-E425 PolarHBondContact O-N 3.4Å; E425-M428 PolarHBondContact O-N 3.08Å; E425-S429 PolarHBondContact O-N 3.43Å
426H86.3Confident83.5Confident95 Ų9583.7 Ų83.744%0.4445%0.45SS..Hα-helixtrans-64.9-47.7174.5-176.619000111.8F422 M428 S429 D430F422-H426 VanDerWaalsContact O-CB 3.24Å; F422-H426 WeakPolarHBondContact O-CB 3.44Å; F422-H426 PolarHBondContact O-N 3.23Å; H426-M428 PolarHBondContact O-N 2.97Å; H426-S429 PolarHBondContact O-N 2.66Å; H426-S429 VanDerWaalsContact O-N 3.14Å; H426-D430 IonicContact CE1-OD1 3.36Å; H426-D430 PolarHBondContact CE1-OD1 2.65Å; H426-D430 IonicContact CE1-OD2 2.81Å; H426-D430 PolarHBondContact CE1-OD2 3.3Å; H426-D430 IonicContact ND1-OD1 3.75Å; H426-D430 PolarHBondContact ND1-OD1 3.37Å; H426-D430 IonicContact ND1-OD2 2.65Å; H426-D430 PolarHBondContact O-N 3.13Å
427M81.9Confident83.7Confident131 Ų13183.8 Ų83.865%0.64544%0.441SS*.Hα-helixtrans-61.4-30.1174.8-73.8-178.476.600112.9V423 D431V423-M427 HydrophobicContact CG1-CG 4.31Å; V423-M427 HydrophobicContact CG1-SD 3.91Å; V423-M427 VanDerWaalsContact O-CB 3.29Å; V423-M427 WeakPolarHBondContact O-CB 3.46Å; V423-M427 WeakPolarHBondContact O-CG 3.3Å; V423-M427 PolarHBondContact O-N 3.18Å; M427-D431 WeakPolarHBondContact O-CB 3.39Å; M427-D431 PolarHBondContact O-N 2.86Å
428M82.3Confident84.1Confident114 Ų11481.2 Ų81.256%0.56243%0.428SS*.Hα-helixtrans-73.8-41.5173.5-78.4-179.756.300112A424 E425 H426 D431 D432A424-M428 WeakPolarHBondContact O-CB 3.45Å; A424-M428 VanDerWaalsContact O-CG 3.27Å; A424-M428 WeakPolarHBondContact O-CG 3.19Å; A424-M428 PolarHBondContact O-N 2.82Å; E425-M428 PolarHBondContact O-N 3.08Å; H426-M428 PolarHBondContact O-N 2.97Å; M428-D431 PolarHBondContact O-N 2.93Å; M428-D432 WeakPolarHBondContact O-CB 3.17Å; M428-D432 PolarHBondContact O-N 3.11Å
429S82.4Confident84.5Confident62 Ų6278.1 Ų78.143%0.43441%0.411SS..Hα-helixtrans-62.2-44.5175.1-166.10000111.6E425 H426 D432 D433E425-S429 PolarHBondContact O-N 3.43Å; H426-S429 PolarHBondContact O-N 2.66Å; H426-S429 VanDerWaalsContact O-N 3.14Å; S429-D432 PolarHBondContact O-N 2.97Å; S429-D433 PolarHBondContact O-N 3.47Å
430D82.7Confident84.7Confident81 Ų8176.6 Ų76.643%0.43339%0.394SS..Hα-helixtrans-64.7-40.1178.4-74.618.5000111.8H426 Q434H426-D430 IonicContact CE1-OD1 3.36Å; H426-D430 PolarHBondContact CE1-OD1 2.65Å; H426-D430 IonicContact CE1-OD2 2.81Å; H426-D430 PolarHBondContact CE1-OD2 3.3Å; H426-D430 IonicContact ND1-OD1 3.75Å; H426-D430 PolarHBondContact ND1-OD1 3.37Å; H426-D430 IonicContact ND1-OD2 2.65Å; H426-D430 PolarHBondContact O-N 3.13Å; D430-Q434 VanDerWaalsContact O-CB 3.22Å; D430-Q434 WeakPolarHBondContact O-CB 3.41Å; D430-Q434 PolarHBondContact O-N 3.04Å
431D84.1Confident84.9Confident47 Ų4775 Ų7525%0.25138%0.379SS..Hα-helixtrans-66.7-39.1174.5-175.343.1000111.3R344 M427 M428 S435R344-D431 IonicContact CZ-OD2 3.95Å; R344-D431 IonicContact NE-OD2 3Å; R344-D431 PolarHBondContact NE-OD2 3.11Å; R344-D431 PolarHBondContact NH2-O 3.49Å; R344-D431 IonicContact NH2-OD1 3.36Å; R344-D431 PolarHBondContact NH2-OD1 3.1Å; R344-D431 IonicContact NH2-OD2 3.1Å; R344-D431 PolarHBondContact NH2-OD2 3.32Å; M427-D431 WeakPolarHBondContact O-CB 3.39Å; M427-D431 PolarHBondContact O-N 2.86Å; M428-D431 PolarHBondContact O-N 2.93Å; D431-S435 WeakPolarHBondContact O-CB 3.37Å; D431-S435 PolarHBondContact O-N 3.21Å; D431-S435 PolarHBondContact O-OG 3.36Å
432D82.1Confident85.2Confident80 Ų8068.7 Ų68.743%0.42836%0.355SS..Hα-helixtrans-63.5-49.4173.8-84.8-19.7000111.4R344 M428 S429 Q434 S435 V436R344-D432 IonicContact CZ-OD1 3.01Å; R344-D432 VanDerWaalsContact CZ-OD1 3.27Å; R344-D432 IonicContact NE-OD1 2.8Å; R344-D432 IonicContact NH1-OD1 2.78Å; R344-D432 PolarHBondContact NH1-OD1 3.01Å; M428-D432 WeakPolarHBondContact O-CB 3.17Å; M428-D432 PolarHBondContact O-N 3.11Å; S429-D432 PolarHBondContact O-N 2.97Å; D432-Q434 PolarHBondContact O-N 3.29Å; D432-S435 PolarHBondContact O-N 2.9Å; D432-S435 VanDerWaalsContact O-N 3.11Å; D432-S435 PolarHBondContact O-OG 2.82Å; D432-V436 PolarHBondContact O-N 3.22Å; D432-V436 VanDerWaalsContact O-N 3.11Å
433D85.2Confident85.2Confident69 Ų6962.4 Ų62.437%0.36933%0.328SS..Hα-helixtrans-60.6-44.5175.9-88.3-16.3000112.2P308 S429 S435 V436 I437P308-D433 WeakPolarHBondContact CB-OD1 3.16Å; P308-D433 HydrophobicContact CG-CB 3.8Å; P308-D433 WeakPolarHBondContact CG-OD1 3.49Å; S429-D433 PolarHBondContact O-N 3.47Å; D433-S435 VanDerWaalsContact C-N 3.26Å; D433-S435 PolarHBondContact O-N 3.08Å; D433-V436 PolarHBondContact O-N 2.86Å; D433-V436 VanDerWaalsContact O-N 3.1Å; D433-I437 WeakPolarHBondContact O-CG1 3.41Å; D433-I437 PolarHBondContact O-N 2.72Å
434Q83.8Confident85.4Confident98 Ų9858.8 Ų58.846%0.45831%0.306SS..Hα-helixtrans-59.4-37.5174.9-177.7169.5-14.200111.6D430 D432 V436 I437 E438D430-Q434 VanDerWaalsContact O-CB 3.22Å; D430-Q434 WeakPolarHBondContact O-CB 3.41Å; D430-Q434 PolarHBondContact O-N 3.04Å; D432-Q434 PolarHBondContact O-N 3.29Å; Q434-V436 PolarHBondContact O-N 2.78Å; Q434-I437 PolarHBondContact O-N 2.83Å; Q434-E438 WeakPolarHBondContact O-CG 3.19Å; Q434-E438 PolarHBondContact O-N 2.8Å
435S83.3Confident85.7Confident13 Ų1361.1 Ų61.19%0.09131%0.31CS..Hα-helixtrans-69.7-29176.268.60000113.9R344 D431 D432 D433 D439R344-S435 PolarHBondContact NH1-OG 2.94Å; R344-S435 PolarHBondContact NH2-OG 3.46Å; D431-S435 WeakPolarHBondContact O-CB 3.37Å; D431-S435 PolarHBondContact O-N 3.21Å; D431-S435 PolarHBondContact O-OG 3.36Å; D432-S435 PolarHBondContact O-N 2.9Å; D432-S435 VanDerWaalsContact O-N 3.11Å; D432-S435 PolarHBondContact O-OG 2.82Å; D433-S435 VanDerWaalsContact C-N 3.26Å; D433-S435 PolarHBondContact O-N 3.08Å; S435-D439 PolarHBondContact O-N 3.44Å; S435-D439 VanDerWaalsContact O-N 3.1Å
436V85.9Confident86.1Confident47 Ų4756.3 Ų56.329%0.28529%0.288SS..Hα-helixtrans-72.5-36.1172178.10000111.1P308 D432 D433 Q434 D439 W440P308-V436 HydrophobicContact CB-CB 4.22Å; P308-V436 HydrophobicContact CB-CG1 3.98Å; P308-V436 HydrophobicContact CG-CB 4.5Å; D432-V436 PolarHBondContact O-N 3.22Å; D432-V436 VanDerWaalsContact O-N 3.11Å; D433-V436 PolarHBondContact O-N 2.86Å; D433-V436 VanDerWaalsContact O-N 3.1Å; Q434-V436 PolarHBondContact O-N 2.78Å; V436-D439 PolarHBondContact O-N 3.01Å; V436-W440 PolarHBondContact O-N 3.19Å
437I86.9Confident86.3Confident62 Ų6252.6 Ų52.632%0.31827%0.272SS..Hα-helixtrans-65.7-46.4172.9-62.8168.5000110.6P308 D433 Q434 D439 W440 K441P308-I437 VanDerWaalsContact CD-CG1 3.47Å; P308-I437 HydrophobicContact CG-CG1 4.29Å; D433-I437 WeakPolarHBondContact O-CG1 3.41Å; D433-I437 PolarHBondContact O-N 2.72Å; Q434-I437 PolarHBondContact O-N 2.83Å; I437-D439 PolarHBondContact O-N 2.79Å; I437-W440 PolarHBondContact O-N 3.49Å; I437-K441 WeakPolarHBondContact O-CG 3.4Å; I437-K441 PolarHBondContact O-N 3.38Å
438E86.1Confident86.7Confident64 Ų6446.8 Ų46.830%0.29924%0.243SC..Hα-helixtrans-56-39174.5-75.9-177.5-174.600111.3R340 Q434 Y442R340-E438 IonicContact CZ-OE1 2.75Å; R340-E438 IonicContact NH1-OE1 3.04Å; R340-E438 PolarHBondContact NH1-OE1 3.28Å; R340-E438 IonicContact NH1-OE2 2.86Å; R340-E438 PolarHBondContact NH1-OE2 3.32Å; Q434-E438 WeakPolarHBondContact O-CG 3.19Å; Q434-E438 PolarHBondContact O-N 2.8Å; E438-Y442 WeakPolarHBondContact O-CB 3.34Å; E438-Y442 PolarHBondContact O-N 3.27Å
439D88.1Confident87.1Confident18 Ų1844.2 Ų44.210%0.09623%0.227CC..Hα-helixtrans-70.3-40.5176.3-75.70.1000113.2M313 R333 Y337 S435 V436 I437 Y442 V443M313-D439 HydrophobicContact CE-CB 3.83Å; R333-D439 IonicContact CZ-OD1 3.62Å; R333-D439 VanDerWaalsContact NH2-CG 3.26Å; R333-D439 IonicContact NH2-OD1 2.87Å; R333-D439 PolarHBondContact NH2-OD1 2.97Å; R333-D439 IonicContact NH2-OD2 2.98Å; R333-D439 PolarHBondContact NH2-OD2 3.44Å; Y337-D439 VanDerWaalsContact CE2-OD1 3.3Å; Y337-D439 WeakPolarHBondContact CE2-OD1 3.49Å; Y337-D439 PolarHBondContact OH-OD1 3.28Å; Y337-D439 PolarHBondContact OH-OD2 2.87Å; Y337-D439 VanDerWaalsContact OH-OD2 3.12Å; S435-D439 PolarHBondContact O-N 3.44Å; S435-D439 VanDerWaalsContact O-N 3.1Å; V436-D439 PolarHBondContact O-N 3.01Å; I437-D439 PolarHBondContact O-N 2.79Å; D439-Y442 PolarHBondContact O-N 3.43Å; D439-V443 WeakPolarHBondContact O-CG2 3.33Å; D439-V443 PolarHBondContact O-N 2.88Å
440W89.4Confident87.5Confident5 Ų543.4 Ų43.42%0.01922%0.217CC..Hα-helixtrans-62-41.6173.1-84.5120.3000112V303 R306 H311 M313 V436 I437 Y442 V443 A444V303-W440 HydrophobicContact CG1-CE3 3.85Å; V303-W440 HydrophobicContact CG1-CZ3 4.11Å; R306-W440 HydrophobicContact CB-CD2 3.87Å; R306-W440 HydrophobicContact CB-CE3 4.35Å; R306-W440 HydrophobicContact CB-CG 3.95Å; H311-W440 HydrophobicContact CB-CZ2 4.22Å; M313-W440 HydrophobicContact CB-CH2 4.4Å; M313-W440 HydrophobicContact CB-CZ2 3.78Å; M313-W440 HydrophobicContact CG-CH2 4.43Å; M313-W440 HydrophobicContact CG-CZ2 4.26Å; V436-W440 PolarHBondContact O-N 3.19Å; I437-W440 PolarHBondContact O-N 3.49Å; W440-Y442 VanDerWaalsContact C-N 3.33Å; W440-Y442 PolarHBondContact O-N 3.01Å; W440-V443 PolarHBondContact O-N 3.38Å; W440-A444 PolarHBondContact O-N 3.12Å
441K89.3Confident87.9Confident73 Ų7342 Ų4232%0.31721%0.207SC..Hα-helixtrans-61.2-41173.1-70.2-163.4172.4-158.90112.1D243 I437 A444 M445D243-K441 IonicContact OD1-NZ 2.7Å; D243-K441 PolarHBondContact OD1-NZ 2.94Å; I437-K441 WeakPolarHBondContact O-CG 3.4Å; I437-K441 PolarHBondContact O-N 3.38Å; K441-A444 PolarHBondContact O-N 3.35Å; K441-M445 PolarHBondContact O-N 3.03Å
442Y88.8Confident88.2Confident22 Ų2240.9 Ų40.99%0.08620%0.201CC..Hα-helixtrans-66-41.6175.7-172.3-102.9000112.1L322 P326 R333 E438 D439 W440 A444 M445 V446L322-Y442 HydrophobicContact CD2-CD1 3.71Å; L322-Y442 HydrophobicContact CD2-CE1 4.4Å; P326-Y442 HydrophobicContact CG-CE1 3.97Å; R333-Y442 HydrophobicContact CG-CE2 4.35Å; E438-Y442 WeakPolarHBondContact O-CB 3.34Å; E438-Y442 PolarHBondContact O-N 3.27Å; D439-Y442 PolarHBondContact O-N 3.43Å; W440-Y442 VanDerWaalsContact C-N 3.33Å; W440-Y442 PolarHBondContact O-N 3.01Å; Y442-A444 PolarHBondContact O-N 3Å; Y442-M445 PolarHBondContact O-N 2.86Å; Y442-V446 HydrophobicContact CD1-CG2 4.08Å; Y442-V446 HydrophobicContact CE1-CG2 3.75Å; Y442-V446 HydrophobicContact CE2-CG2 4.45Å; Y442-V446 VanDerWaalsContact O-CG2 3.28Å; Y442-V446 WeakPolarHBondContact O-CG2 3.46Å; Y442-V446 PolarHBondContact O-N 3.22Å
443V90.1Very high88.6Confident4 Ų444 Ų442%0.02421%0.207CC..Hα-helixtrans-58.2-47.5172.4171.10000110.7V303 M313 V317 F321 L322 D439 W440 M445 V446 V447V303-V443 HydrophobicContact CG1-CG1 4.05Å; M313-V443 HydrophobicContact SD-CG2 4.32Å; V317-V443 HydrophobicContact CG1-CG1 4.26Å; V317-V443 HydrophobicContact CG1-CG2 4.32Å; F321-V443 HydrophobicContact CB-CB 4.37Å; F321-V443 HydrophobicContact CB-CG1 3.88Å; F321-V443 HydrophobicContact CB-CG2 3.94Å; F321-V443 HydrophobicContact CD1-CG1 4.48Å; F321-V443 HydrophobicContact CD2-CG1 4.42Å; F321-V443 HydrophobicContact CG-CG1 4.02Å; L322-V443 HydrophobicContact CD2-CG2 3.61Å; L322-V443 HydrophobicContact CG-CG2 4.24Å; D439-V443 WeakPolarHBondContact O-CG2 3.33Å; D439-V443 PolarHBondContact O-N 2.88Å; W440-V443 PolarHBondContact O-N 3.38Å; V443-M445 VanDerWaalsContact C-N 3.33Å; V443-M445 PolarHBondContact O-N 2.81Å; V443-V446 PolarHBondContact O-N 3.29Å; V443-V447 HydrophobicContact CG1-CG2 4.32Å; V443-V447 VanDerWaalsContact O-CG2 3.26Å; V443-V447 WeakPolarHBondContact O-CG2 3.2Å; V443-V447 PolarHBondContact O-N 3.49Å
444A90Very high88.9Confident2 Ų244.6 Ų44.62%0.01721%0.209CC..Hα-helixtrans-57.7-45.2176.800000111.8V300 V303 H304 W440 K441 Y442 V446 V447 D448V300-A444 HydrophobicContact CG1-CB 4.3Å; V303-A444 HydrophobicContact CB-CB 4.42Å; V303-A444 HydrophobicContact CG1-CB 4.11Å; H304-A444 HydrophobicContact CB-CB 3.84Å; W440-A444 PolarHBondContact O-N 3.12Å; K441-A444 PolarHBondContact O-N 3.35Å; Y442-A444 PolarHBondContact O-N 3Å; A444-V446 PolarHBondContact O-N 2.92Å; A444-V447 PolarHBondContact O-N 3.01Å; A444-D448 WeakPolarHBondContact O-CB 3.46Å; A444-D448 PolarHBondContact O-N 3.27Å
445M88.8Confident89.2Confident95 Ų9540.8 Ų40.847%0.46819%0.191SC..Hα-helixtrans-61.6-40.5176.5-171.9-174.9-62.200112.8K441 Y442 V443 D448 R449K441-M445 PolarHBondContact O-N 3.03Å; Y442-M445 PolarHBondContact O-N 2.86Å; V443-M445 VanDerWaalsContact C-N 3.33Å; V443-M445 PolarHBondContact O-N 2.81Å; M445-D448 PolarHBondContact O-N 3.49Å; M445-R449 WeakPolarHBondContact O-CB 3.37Å; M445-R449 WeakPolarHBondContact O-CG 3.38Å; M445-R449 PolarHBondContact O-N 3.14Å; M445-R449 VanDerWaalsContact O-N 3.11Å
446V90.2Very high89.6Confident0 Ų042 Ų420%020%0.198CC..Hα-helixtrans-67.7-41.5177.6172.10000111.2F321 L325 P326 L329 Y442 V443 A444 R449 M450F321-V446 HydrophobicContact CD1-CG1 4.41Å; L325-V446 HydrophobicContact CB-CG1 3.79Å; P326-V446 HydrophobicContact CG-CG1 4.19Å; P326-V446 HydrophobicContact CG-CG2 3.9Å; L329-V446 HydrophobicContact CD1-CG1 4.27Å; Y442-V446 HydrophobicContact CD1-CG2 4.08Å; Y442-V446 HydrophobicContact CE1-CG2 3.75Å; Y442-V446 HydrophobicContact CE2-CG2 4.45Å; Y442-V446 VanDerWaalsContact O-CG2 3.28Å; Y442-V446 WeakPolarHBondContact O-CG2 3.46Å; Y442-V446 PolarHBondContact O-N 3.22Å; V443-V446 PolarHBondContact O-N 3.29Å; A444-V446 PolarHBondContact O-N 2.92Å; V446-R449 PolarHBondContact O-N 3.19Å; V446-M450 WeakPolarHBondContact O-CB 3.47Å; V446-M450 PolarHBondContact O-N 2.91Å
447V90.1Very high89.9Confident17 Ų1744.5 Ų44.510%0.10321%0.209CC..Hα-helixtrans-61.6-45.2174.7175.30000110.8V300 F321 V443 A444 R449 M450 F451V300-V447 HydrophobicContact CG2-CB 4.34Å; V300-V447 HydrophobicContact CG2-CG1 3.74Å; F321-V447 HydrophobicContact CD1-CG2 3.63Å; F321-V447 HydrophobicContact CE1-CG2 3.45Å; F321-V447 VanDerWaalsContact CE1-CG2 3.45Å; F321-V447 HydrophobicContact CZ-CG2 4.22Å; V443-V447 HydrophobicContact CG1-CG2 4.32Å; V443-V447 VanDerWaalsContact O-CG2 3.26Å; V443-V447 WeakPolarHBondContact O-CG2 3.2Å; V443-V447 PolarHBondContact O-N 3.49Å; A444-V447 PolarHBondContact O-N 3.01Å; V447-R449 VanDerWaalsContact C-N 3.28Å; V447-R449 PolarHBondContact O-N 3.25Å; V447-M450 WeakPolarHBondContact O-CB 3.27Å; V447-M450 PolarHBondContact O-N 3.27Å; V447-F451 HydrophobicContact CG1-CD2 3.69Å; V447-F451 HydrophobicContact CG1-CE2 3.52Å; V447-F451 VanDerWaalsContact O-CD2 3.27Å; V447-F451 WeakPolarHBondContact O-CD2 3.41Å; V447-F451 PolarHBondContact O-N 2.83Å
448D90.9Very high90.1Very high9 Ų944.4 Ų44.45%0.04821%0.211CC..Hα-helixtrans-58.8-41.9178.9-149.125000111.8F238 K247 V300 A444 M445 F451 L452F238-D448 WeakPolarHBondContact CD1-OD1 3.48Å; K247-D448 IonicContact NZ-OD1 3.19Å; K247-D448 PolarHBondContact NZ-OD1 3.16Å; K247-D448 IonicContact NZ-OD2 3.71Å; K247-D448 PolarHBondContact NZ-OD2 3.32Å; V300-D448 HydrophobicContact CG1-CB 4.13Å; V300-D448 HydrophobicContact CG2-CB 4.45Å; A444-D448 WeakPolarHBondContact O-CB 3.46Å; A444-D448 PolarHBondContact O-N 3.27Å; M445-D448 PolarHBondContact O-N 3.49Å; D448-F451 PolarHBondContact O-N 3.31Å; D448-L452 WeakPolarHBondContact O-CB 3.44Å; D448-L452 PolarHBondContact O-N 3Å
449R90.2Very high90.3Very high61 Ų6141.6 Ų41.623%0.2320%0.199CC..Hα-helixtrans-76-31.9-178.8-65.5-82.7177.2-179.9-8.1112.7M331 M445 V446 V447 W453M331-R449 HydrophobicContact CE-CB 3.86Å; M331-R449 HydrophobicContact CE-CG 3.45Å; M331-R449 VanDerWaalsContact CE-CG 3.45Å; M331-R449 HydrophobicContact SD-CB 4.28Å; M331-R449 HydrophobicContact SD-CG 4.18Å; M445-R449 WeakPolarHBondContact O-CB 3.37Å; M445-R449 WeakPolarHBondContact O-CG 3.38Å; M445-R449 PolarHBondContact O-N 3.14Å; M445-R449 VanDerWaalsContact O-N 3.11Å; V446-R449 PolarHBondContact O-N 3.19Å; V447-R449 VanDerWaalsContact C-N 3.28Å; V447-R449 PolarHBondContact O-N 3.25Å; R449-W453 VanDerWaalsContact O-CD1 3.23Å; R449-W453 PolarHBondContact O-N 2.79Å
450M90.8Very high90.3Very high45 Ų4544 Ų4422%0.22221%0.214CC..Hα-helixtrans-61.6-49.3168.4-178.8-168.771.500110.5L325 L329 V446 V447 W453 I454L325-M450 HydrophobicContact CD1-SD 4.11Å; L325-M450 HydrophobicContact CD2-SD 4.24Å; L329-M450 HydrophobicContact CD1-CB 4.07Å; V446-M450 WeakPolarHBondContact O-CB 3.47Å; V446-M450 PolarHBondContact O-N 2.91Å; V447-M450 WeakPolarHBondContact O-CB 3.27Å; V447-M450 PolarHBondContact O-N 3.27Å; M450-W453 PolarHBondContact O-N 2.89Å; M450-I454 HydrophobicContact CG-CD1 4.17Å; M450-I454 WeakPolarHBondContact O-CG1 3.49Å; M450-I454 PolarHBondContact O-N 2.84Å
451F90.9Very high90.3Very high50 Ų5048.5 Ų48.522%0.21924%0.241CC..Hα-helixtrans-64.4-40.2177-77.1-60.2000112.1F238 T296 V447 D448 W453 I454 F455F238-F451 HydrophobicContact CD1-CB 4.08Å; F238-F451 HydrophobicContact CE1-CB 3.87Å; T296-F451 HydrophobicContact CG2-CD1 4.09Å; T296-F451 HydrophobicContact CG2-CD2 4.4Å; T296-F451 HydrophobicContact CG2-CE1 3.87Å; T296-F451 HydrophobicContact CG2-CE2 4.17Å; T296-F451 HydrophobicContact CG2-CG 4.37Å; T296-F451 HydrophobicContact CG2-CZ 3.91Å; V447-F451 HydrophobicContact CG1-CD2 3.69Å; V447-F451 HydrophobicContact CG1-CE2 3.52Å; V447-F451 VanDerWaalsContact O-CD2 3.27Å; V447-F451 WeakPolarHBondContact O-CD2 3.41Å; V447-F451 PolarHBondContact O-N 2.83Å; D448-F451 PolarHBondContact O-N 3.31Å; F451-W453 VanDerWaalsContact C-N 3.32Å; F451-W453 PolarHBondContact O-N 3.1Å; F451-I454 HydrophobicContact CD1-CD1 4.28Å; F451-I454 PolarHBondContact O-N 2.98Å; F451-I454 VanDerWaalsContact O-N 3.09Å; F451-F455 HydrophobicContact CB-CD2 4.11Å; F451-F455 HydrophobicContact CB-CE2 4.29Å; F451-F455 HydrophobicContact CD1-CE2 4.16Å; F451-F455 WeakPolarHBondContact O-CB 3.44Å; F451-F455 VanDerWaalsContact O-CD2 3.29Å; F451-F455 WeakPolarHBondContact O-CD2 3.21Å; F451-F455 PolarHBondContact O-N 3.04Å
452L91.4Very high90.3Very high24 Ų2445.6 Ų45.613%0.12623%0.233CC..Hα-helixtrans-48.2-52.5173.7-172157.9000111.6F238 Y239 D448 I454 F455 V456F238-L452 HydrophobicContact CB-CB 3.72Å; F238-L452 HydrophobicContact CB-CD1 4.12Å; F238-L452 HydrophobicContact CB-CG 4.04Å; F238-L452 HydrophobicContact CG-CB 4.49Å; Y239-L452 HydrophobicContact CD2-CD1 4.41Å; D448-L452 WeakPolarHBondContact O-CB 3.44Å; D448-L452 PolarHBondContact O-N 3Å; L452-I454 PolarHBondContact O-N 2.88Å; L452-F455 PolarHBondContact O-N 2.75Å; L452-V456 HydrophobicContact CD2-CG2 3.86Å; L452-V456 WeakPolarHBondContact O-CB 3.5Å; L452-V456 VanDerWaalsContact O-CG2 3.24Å; L452-V456 WeakPolarHBondContact O-CG2 3.4Å; L452-V456 PolarHBondContact O-N 3.45Å
453W90.8Very high90.1Very high145 Ų14546.1 Ų46.155%0.54924%0.238SC..Hα-helixtrans-64.8-39.8-179.9-77.1109.3000113R449 M450 F451 I457R449-W453 VanDerWaalsContact O-CD1 3.23Å; R449-W453 PolarHBondContact O-N 2.79Å; M450-W453 PolarHBondContact O-N 2.89Å; F451-W453 VanDerWaalsContact C-N 3.32Å; F451-W453 PolarHBondContact O-N 3.1Å; W453-I457 WeakPolarHBondContact O-CB 3.35Å; W453-I457 WeakPolarHBondContact O-CD1 3.27Å; W453-I457 VanDerWaalsContact O-CG1 3.25Å; W453-I457 WeakPolarHBondContact O-CG1 3.39Å; W453-I457 PolarHBondContact O-N 3.37Å
454I91.1Very high89.9Confident82 Ų8250.3 Ų50.342%0.42126%0.26SS..Hα-helixtrans-61.4-50175.7-65166.3000110.3M450 F451 L452 I457 V458M450-I454 HydrophobicContact CG-CD1 4.17Å; M450-I454 WeakPolarHBondContact O-CG1 3.49Å; M450-I454 PolarHBondContact O-N 2.84Å; F451-I454 HydrophobicContact CD1-CD1 4.28Å; F451-I454 PolarHBondContact O-N 2.98Å; F451-I454 VanDerWaalsContact O-N 3.09Å; L452-I454 PolarHBondContact O-N 2.88Å; I454-I457 PolarHBondContact O-N 3.36Å; I454-V458 HydrophobicContact CG2-CG2 4.41Å; I454-V458 WeakPolarHBondContact O-CB 3.35Å; I454-V458 VanDerWaalsContact O-CG2 3.29Å; I454-V458 WeakPolarHBondContact O-CG2 3.42Å; I454-V458 PolarHBondContact O-N 3.23Å
455F91.1Very high89.6Confident19 Ų1952.5 Ų52.58%0.08328%0.282CS..Hα-helixtrans-66.7-36.9-179.9-83.3-79.3000112.7F238 L289 F292 T296 F451 L452 C459F238-F455 HydrophobicContact CD2-CB 4.38Å; F238-F455 HydrophobicContact CD2-CD2 4.33Å; F238-F455 HydrophobicContact CD2-CG 4.46Å; F238-F455 HydrophobicContact CE1-CD2 4.07Å; F238-F455 HydrophobicContact CE1-CE2 4.11Å; F238-F455 HydrophobicContact CE2-CB 3.95Å; F238-F455 HydrophobicContact CE2-CD1 4.21Å; F238-F455 AromaticContact CE2-CD2 3.43Å; F238-F455 HydrophobicContact CE2-CD2 3.43Å; F238-F455 VanDerWaalsContact CE2-CD2 3.43Å; F238-F455 AromaticContact CE2-CE2 3.94Å; F238-F455 HydrophobicContact CE2-CE2 3.94Å; F238-F455 AromaticContact CE2-CG 3.6Å; F238-F455 HydrophobicContact CE2-CG 3.6Å; F238-F455 HydrophobicContact CZ-CD1 4.49Å; F238-F455 AromaticContact CZ-CD2 3.27Å; F238-F455 HydrophobicContact CZ-CD2 3.27Å; F238-F455 AromaticContact CZ-CE2 3.34Å; F238-F455 HydrophobicContact CZ-CE2 3.34Å; F238-F455 AromaticContact CZ-CG 3.91Å; F238-F455 HydrophobicContact CZ-CG 3.91Å; F238-F455 HydrophobicContact CZ-CZ 4.02Å; L289-F455 HydrophobicContact CD1-CD1 3.53Å; L289-F455 HydrophobicContact CD1-CE1 3.61Å; L289-F455 HydrophobicContact CD2-CD1 4.32Å; L289-F455 HydrophobicContact CG-CD1 3.7Å; L289-F455 HydrophobicContact CG-CE1 3.83Å; L289-F455 WeakPolarHBondContact O-CE1 3.39Å; F292-F455 HydrophobicContact CB-CE1 4.4Å; F292-F455 HydrophobicContact CB-CZ 4.1Å; T296-F455 HydrophobicContact CG2-CE2 4.4Å; F451-F455 HydrophobicContact CB-CD2 4.11Å; F451-F455 HydrophobicContact CB-CE2 4.29Å; F451-F455 HydrophobicContact CD1-CE2 4.16Å; F451-F455 WeakPolarHBondContact O-CB 3.44Å; F451-F455 VanDerWaalsContact O-CD2 3.29Å; F451-F455 WeakPolarHBondContact O-CD2 3.21Å; F451-F455 PolarHBondContact O-N 3.04Å; L452-F455 PolarHBondContact O-N 2.75Å; F455-C459 WeakPolarHBondContact O-CB 3.22Å; F455-C459 PolarHBondContact O-N 3.31Å
456V91.4Very high89.3Confident38 Ų3849.7 Ų49.723%0.2327%0.269CS..Hα-helixtrans-60.1-51.1171.6166.40000110.6I235 L452 C459 V460I235-V456 HydrophobicContact CG2-CG2 3.49Å; I235-V456 VanDerWaalsContact CG2-CG2 3.49Å; L452-V456 HydrophobicContact CD2-CG2 3.86Å; L452-V456 WeakPolarHBondContact O-CB 3.5Å; L452-V456 VanDerWaalsContact O-CG2 3.24Å; L452-V456 WeakPolarHBondContact O-CG2 3.4Å; L452-V456 PolarHBondContact O-N 3.45Å; V456-C459 PolarHBondContact O-N 2.81Å; V456-V460 HydrophobicContact CG1-CG2 4.36Å; V456-V460 WeakPolarHBondContact O-CB 3.29Å; V456-V460 VanDerWaalsContact O-CG2 3.28Å; V456-V460 WeakPolarHBondContact O-CG2 3.45Å; V456-V460 PolarHBondContact O-N 2.9Å
457I91.4Very high88.6Confident100 Ų10052.4 Ų52.451%0.51328%0.281SS..Hα-helixtrans-62.9-47.5-178.7-68.2165.3000110.4W453 I454 C459 V460 V461W453-I457 WeakPolarHBondContact O-CB 3.35Å; W453-I457 WeakPolarHBondContact O-CD1 3.27Å; W453-I457 VanDerWaalsContact O-CG1 3.25Å; W453-I457 WeakPolarHBondContact O-CG1 3.39Å; W453-I457 PolarHBondContact O-N 3.37Å; I454-I457 PolarHBondContact O-N 3.36Å; I457-C459 VanDerWaalsContact C-N 3.34Å; I457-C459 PolarHBondContact O-N 3.44Å; I457-V460 PolarHBondContact O-N 2.91Å; I457-V461 HydrophobicContact CG2-CG2 4.28Å; I457-V461 WeakPolarHBondContact O-CB 3.24Å; I457-V461 VanDerWaalsContact O-CG2 3.29Å; I457-V461 WeakPolarHBondContact O-CG2 3.26Å; I457-V461 PolarHBondContact O-N 3.48Å
458V91.4Very high87.8Confident59 Ų5954.7 Ų54.736%0.35829%0.292SS..Hα-helixtrans-62.6-40.2178.8171.10000111.6F285 L289 I454 G462F285-V458 HydrophobicContact CE2-CG1 4.39Å; F285-V458 HydrophobicContact CZ-CG1 3.91Å; L289-V458 HydrophobicContact CD1-CB 4.44Å; L289-V458 HydrophobicContact CD1-CG1 3.64Å; I454-V458 HydrophobicContact CG2-CG2 4.41Å; I454-V458 WeakPolarHBondContact O-CB 3.35Å; I454-V458 VanDerWaalsContact O-CG2 3.29Å; I454-V458 WeakPolarHBondContact O-CG2 3.42Å; I454-V458 PolarHBondContact O-N 3.23Å; V458-G462 PolarHBondContact O-N 2.91Å
459C89.5Confident86.8Confident6 Ų659.3 Ų59.34%0.04131%0.314CS..Hα-helixtrans-70.3-42.2177.8-167.50000112.1I235 L289 F455 V456 I457 G462 T463I235-C459 HydrophobicContact CD1-CB 3.88Å; I235-C459 HydrophobicContact CG1-CB 4.45Å; L289-C459 HydrophobicContact CD2-CB 4.06Å; F455-C459 WeakPolarHBondContact O-CB 3.22Å; F455-C459 PolarHBondContact O-N 3.31Å; V456-C459 PolarHBondContact O-N 2.81Å; I457-C459 VanDerWaalsContact C-N 3.34Å; I457-C459 PolarHBondContact O-N 3.44Å; C459-G462 PolarHBondContact O-N 2.85Å; C459-T463 WeakPolarHBondContact O-CB 3.44Å; C459-T463 WeakPolarHBondContact O-CG2 3.35Å; C459-T463 PolarHBondContact O-N 3.49Å; C459-T463 PolarHBondContact O-OG1 3.37Å
460V89.4Confident85.5Confident69 Ų6957.5 Ų57.542%0.41831%0.31SS..Hα-helixtrans-66.5-44.1177.3171.60000111.4V456 I457 T463 L464V456-V460 HydrophobicContact CG1-CG2 4.36Å; V456-V460 WeakPolarHBondContact O-CB 3.29Å; V456-V460 VanDerWaalsContact O-CG2 3.28Å; V456-V460 WeakPolarHBondContact O-CG2 3.45Å; V456-V460 PolarHBondContact O-N 2.9Å; I457-V460 PolarHBondContact O-N 2.91Å; V460-T463 WeakPolarHBondContact CA-OG1 3.2Å; V460-T463 PolarHBondContact O-OG1 3.25Å; V460-L464 HydrophobicContact CG1-CD1 3.74Å; V460-L464 HydrophobicContact CG1-CG 4.38Å; V460-L464 VanDerWaalsContact O-CB 3.26Å; V460-L464 WeakPolarHBondContact O-CB 3.32Å; V460-L464 WeakPolarHBondContact O-CG 3.43Å; V460-L464 PolarHBondContact O-N 3.44Å
461V89.8Confident84Confident98 Ų9860.6 Ų60.659%0.59433%0.327SS*.Hα-helixtrans-67-39.2175.4174.20000111.2I457 G465I457-V461 HydrophobicContact CG2-CG2 4.28Å; I457-V461 WeakPolarHBondContact O-CB 3.24Å; I457-V461 VanDerWaalsContact O-CG2 3.29Å; I457-V461 WeakPolarHBondContact O-CG2 3.26Å; I457-V461 PolarHBondContact O-N 3.48Å; V461-G465 PolarHBondContact O-N 2.8Å
462G87.6Confident82.5Confident13 Ų1364 Ų6413%0.13434%0.342CS..Hα-helixtrans-66.8-45.5177.400000113.4V458 C459 L466V458-G462 PolarHBondContact O-N 2.91Å; C459-G462 PolarHBondContact O-N 2.85Å; G462-L466 WeakPolarHBondContact O-CB 3.35Å; G462-L466 WeakPolarHBondContact O-CG 3.19Å; G462-L466 PolarHBondContact O-N 3.21Å; G462-L466 VanDerWaalsContact O-N 3.09Å
463T85.8Confident80.7Confident32 Ų3267.5 Ų67.520%0.19636%0.357CS..Hα-helixtrans-61.5-52.817445.80000111.2Y282 C459 V460 G465 L466 F467Y282-T463 HydrophobicContact CE2-CG2 3.54Å; Y282-T463 VanDerWaalsContact OH-CG2 3.29Å; Y282-T463 WeakPolarHBondContact OH-CG2 3.42Å; C459-T463 WeakPolarHBondContact O-CB 3.44Å; C459-T463 WeakPolarHBondContact O-CG2 3.35Å; C459-T463 PolarHBondContact O-N 3.49Å; C459-T463 PolarHBondContact O-OG1 3.37Å; V460-T463 WeakPolarHBondContact CA-OG1 3.2Å; V460-T463 PolarHBondContact O-OG1 3.25Å; T463-G465 PolarHBondContact O-N 3.33Å; T463-L466 PolarHBondContact O-N 3.32Å; T463-F467 WeakPolarHBondContact O-CB 3.35Å; T463-F467 WeakPolarHBondContact O-CD2 3.35Å; T463-F467 PolarHBondContact O-N 2.77Å
464L85.3Confident78.8Confident92 Ų9264.7 Ų64.748%0.48236%0.36SS..Hα-helixtrans-60.6-48.1179.5-69.4174000111.2V460 L466 F467 L468V460-L464 HydrophobicContact CG1-CD1 3.74Å; V460-L464 HydrophobicContact CG1-CG 4.38Å; V460-L464 VanDerWaalsContact O-CB 3.26Å; V460-L464 WeakPolarHBondContact O-CB 3.32Å; V460-L464 WeakPolarHBondContact O-CG 3.43Å; V460-L464 PolarHBondContact O-N 3.44Å; L464-L466 VanDerWaalsContact C-N 3.32Å; L464-L466 PolarHBondContact O-N 2.89Å; L464-F467 PolarHBondContact O-N 3.45Å; L464-L468 HydrophobicContact CB-CD1 3.7Å; L464-L468 HydrophobicContact CD2-CD1 3.75Å; L464-L468 HydrophobicContact CG-CD1 4.29Å; L464-L468 VanDerWaalsContact O-CB 3.26Å; L464-L468 WeakPolarHBondContact O-CB 3.27Å; L464-L468 VanDerWaalsContact O-CD1 3.25Å; L464-L468 WeakPolarHBondContact O-CD1 3.4Å; L464-L468 PolarHBondContact O-N 2.93Å
465G83.8Confident76.5Confident48 Ų4868.6 Ų68.650%0.49538%0.376SS..Hα-helixtrans-57.8-40.7179.600000113.6V461 T463V461-G465 PolarHBondContact O-N 2.8Å; T463-G465 PolarHBondContact O-N 3.33Å
466L82Confident74.2Confident36 Ų3673.7 Ų73.719%0.18840%0.403CS..Hα-helixtrans-77.3-40.8178.9-69.8169.3000112.9L278 Y282 G462 T463 L464 P470L278-L466 HydrophobicContact CD1-CB 4.36Å; L278-L466 HydrophobicContact CD1-CD2 4.24Å; L278-L466 WeakPolarHBondContact CD1-O 3.49Å; Y282-L466 HydrophobicContact CD2-CD1 3.9Å; G462-L466 WeakPolarHBondContact O-CB 3.35Å; G462-L466 WeakPolarHBondContact O-CG 3.19Å; G462-L466 PolarHBondContact O-N 3.21Å; G462-L466 VanDerWaalsContact O-N 3.09Å; T463-L466 PolarHBondContact O-N 3.32Å; L464-L466 VanDerWaalsContact C-N 3.32Å; L464-L466 PolarHBondContact O-N 2.89Å; L466-P470 WeakPolarHBondContact O-CD 3.45Å
467F76.9Confident71.6Confident58 Ų5877 Ų7725%0.25442%0.423SS..Hα-helixtrans-87.6-20.3-175.8-74-74.5000114.9L278 Y282 T463 L464 P470 L471L278-F467 HydrophobicContact CD2-CD1 4.4Å; Y282-F467 HydrophobicContact CD1-CE2 4.14Å; Y282-F467 HydrophobicContact CD1-CZ 4.18Å; Y282-F467 HydrophobicContact CD2-CE2 4.01Å; Y282-F467 HydrophobicContact CE1-CE2 4.13Å; Y282-F467 HydrophobicContact CE1-CZ 4.4Å; Y282-F467 HydrophobicContact CE2-CE2 4.05Å; Y282-F467 HydrophobicContact CG-CE2 4.06Å; Y282-F467 HydrophobicContact CG-CZ 4.31Å; T463-F467 WeakPolarHBondContact O-CB 3.35Å; T463-F467 WeakPolarHBondContact O-CD2 3.35Å; T463-F467 PolarHBondContact O-N 2.77Å; L464-F467 PolarHBondContact O-N 3.45Å; F467-P470 WeakPolarHBondContact O-CD 3.41Å; F467-L471 WeakPolarHBondContact O-CD1 3.37Å
468L73.2Confident69.1Low65 Ų6576.9 Ų76.934%0.3443%0.429SS..Hα-helixtrans-76.4-29.4171.7-85.5126000113L464 L471 F472L464-L468 HydrophobicContact CB-CD1 3.7Å; L464-L468 HydrophobicContact CD2-CD1 3.75Å; L464-L468 HydrophobicContact CG-CD1 4.29Å; L464-L468 VanDerWaalsContact O-CB 3.26Å; L464-L468 WeakPolarHBondContact O-CB 3.27Å; L464-L468 VanDerWaalsContact O-CD1 3.25Å; L464-L468 WeakPolarHBondContact O-CD1 3.4Å; L464-L468 PolarHBondContact O-N 2.93Å; L468-L471 PolarHBondContact O-N 3.43Å; L468-L471 VanDerWaalsContact O-N 3.15Å; L468-F472 HydrophobicContact CB-CD2 4.27Å; L468-F472 HydrophobicContact CB-CE2 4.06Å; L468-F472 HydrophobicContact CD2-CD2 4.28Å; L468-F472 HydrophobicContact CD2-CE2 3.42Å; L468-F472 VanDerWaalsContact CD2-CE2 3.42Å; L468-F472 HydrophobicContact CD2-CZ 3.83Å; L468-F472 HydrophobicContact CG-CE2 4.38Å; L468-F472 VanDerWaalsContact O-CD2 3.29Å; L468-F472 WeakPolarHBondContact O-CD2 3.26Å; L468-F472 PolarHBondContact O-N 2.99Å; L468-F472 VanDerWaalsContact O-N 3.1Å
469Q68.9Low66.5Low105 Ų10581.2 Ų81.249%0.49145%0.45SS..Hα-helixtrans-55.9-48.3-179.1179.8177.91900112.8Q473Q469-Q473 PolarHBondContact O-N 2.84Å
470P62.7Low63.8Low24 Ų2489.8 Ų89.816%0.15649%0.49CS..Hα-helixtrans-67.7-34.9174-16.727.9000114.2L278 L466 F467 Q473 S474L278-P470 HydrophobicContact CD2-CG 3.38Å; L466-P470 WeakPolarHBondContact O-CD 3.45Å; F467-P470 WeakPolarHBondContact O-CD 3.41Å; P470-Q473 PolarHBondContact O-N 2.84Å; P470-S474 PolarHBondContact O-N 3.39Å
471L60.1Low61.1Low110 Ų11094.1 Ų94.158%0.57651%0.505SS*.Hα-helixtrans-62.1-47.5-178-75.1169.3000110.6F467 L468 S474F467-L471 WeakPolarHBondContact O-CD1 3.37Å; L468-L471 PolarHBondContact O-N 3.43Å; L468-L471 VanDerWaalsContact O-N 3.15Å; L471-S474 PolarHBondContact O-N 3.47Å; L471-S474 PolarHBondContact O-OG 3.21Å
472F59.1Low58.5Low122 Ų12295.1 Ų95.154%0.53551%0.514SS..Hα-helixtrans-65.4-39.5173.7-69.7-61.8000112.6L468 S474 Q475 I476L468-F472 HydrophobicContact CB-CD2 4.27Å; L468-F472 HydrophobicContact CB-CE2 4.06Å; L468-F472 HydrophobicContact CD2-CD2 4.28Å; L468-F472 HydrophobicContact CD2-CE2 3.42Å; L468-F472 VanDerWaalsContact CD2-CE2 3.42Å; L468-F472 HydrophobicContact CD2-CZ 3.83Å; L468-F472 HydrophobicContact CG-CE2 4.38Å; L468-F472 VanDerWaalsContact O-CD2 3.29Å; L468-F472 WeakPolarHBondContact O-CD2 3.26Å; L468-F472 PolarHBondContact O-N 2.99Å; L468-F472 VanDerWaalsContact O-N 3.1Å; F472-S474 PolarHBondContact O-N 3.44Å; F472-Q475 PolarHBondContact O-N 2.93Å; F472-I476 WeakPolarHBondContact O-CG1 3.46Å
473Q54.5Low55.9Low97 Ų97101.8 Ų101.845%0.45355%0.545SS..Hα-helixtrans-59.1-36.8177.7-151.186.937.300112Q469 P470 Q475 I476Q469-Q473 PolarHBondContact O-N 2.84Å; P470-Q473 PolarHBondContact O-N 2.84Å; Q473-Q475 PolarHBondContact O-N 3.21Å; Q473-I476 PolarHBondContact O-N 3.05Å; Q473-I476 VanDerWaalsContact O-N 3.14Å
474S50.3Low53.4Low85 Ų85105.4 Ų105.459%0.59457%0.571SS**THydrogen-bonded Turntrans-67.3-16.5-179.773.60000114.9P470 L471 F472P470-S474 PolarHBondContact O-N 3.39Å; L471-S474 PolarHBondContact O-N 3.47Å; L471-S474 PolarHBondContact O-OG 3.21Å; F472-S474 PolarHBondContact O-N 3.44Å
475Q43.6Very low50.9Low164 Ų164109.5 Ų109.577%0.76659%0.588SS**THydrogen-bonded Turntrans-92.3-7174.2-64.7-167.9-57.800113.8F472 Q473F472-Q475 PolarHBondContact O-N 2.93Å; Q473-Q475 PolarHBondContact O-N 3.21Å
476I41.5Very low48.6Very low126 Ų126113 Ų11365%0.64660%0.6SS**  trans-124.543.7-171.6-40.1169.8000110.7F472 Q473 P478F472-I476 WeakPolarHBondContact O-CG1 3.46Å; Q473-I476 PolarHBondContact O-N 3.05Å; Q473-I476 VanDerWaalsContact O-N 3.14Å; I476-P478 WeakPolarHBondContact O-CD 3.41Å
477V37.7Very low46.8Very low107 Ų107117.1 Ų117.165%0.64863%0.629SS**  trans-99.6105.4161.2-179.10000107.2
478P37.6Very low45Very low99 Ų99125.8 Ų125.864%0.64366%0.66SS**  trans-69.9141.4170.8-9.425.9000109.3I476 Q480I476-P478 WeakPolarHBondContact O-CD 3.41Å; P478-Q480 PolarHBondContact O-N 3.44Å
479D37.1Very low43.6Very low150 Ų150130.7 Ų130.780%0.80269%0.685SS**  trans-61.6100.6172.2-164.918.1000109.6Q481D479-Q481 VanDerWaalsContact C-N 3.34Å; D479-Q481 PolarHBondContact O-N 3.33Å
480Q34.3Very low42.2Very low186 Ų186140.4 Ų140.487%0.86972%0.717SS**  trans-76.387.4179.3-82.3-165.2-29.500110P478P478-Q480 PolarHBondContact O-N 3.44Å
481Q32.3Very low41.2Very low159 Ų159146.3 Ų146.374%0.74375%0.745SS**  trans-55.5137164.6-67.6-177.1-24.500110.3D479 I483D479-Q481 VanDerWaalsContact C-N 3.34Å; D479-Q481 PolarHBondContact O-N 3.33Å; Q481-I483 PolarHBondContact O-N 3.15Å
482P34.6Very low40.2Very low120 Ų120148.2 Ų148.278%0.77975%0.754SS**  trans-67.6126.7176.626.9-33000110.8S484P482-S484 PolarHBondContact O-N 3.32Å; P482-S484 VanDerWaalsContact O-N 3.08Å
483I32.3Very low39.2Very low153 Ų153149.6 Ų149.679%0.78577%0.766SS**  trans-64.3109.3176.8-62.9169.8000108.8Q481 E485Q481-I483 PolarHBondContact O-N 3.15Å; I483-E485 HydrophobicContact CG2-CG 4.03Å
484S34Very low38.3Very low107 Ų107152.7 Ų152.775%0.74879%0.785SS**  trans-10565.3178.244.20000111.2P482 T486P482-S484 PolarHBondContact O-N 3.32Å; P482-S484 VanDerWaalsContact O-N 3.08Å; S484-T486 PolarHBondContact O-N 3.34Å; S484-T486 VanDerWaalsContact O-N 3.08Å
485E32.9Very low37.5Very low178 Ų178156.9 Ų156.983%0.83280%0.796SS**  trans-77.593.4168.7-74.2-164.6160.600110.7I483I483-E485 HydrophobicContact CG2-CG 4.03Å
486T34.7Very low37.1Very low122 Ų122156.5 Ų156.575%0.74880%0.798SS**  trans-97.3114.616143.50000109.1S484 R488S484-T486 PolarHBondContact O-N 3.34Å; S484-T486 VanDerWaalsContact O-N 3.08Å; T486-R488 PolarHBondContact O-N 3.15Å; T486-R488 VanDerWaalsContact O-N 3.15Å
487P45.6Very low36.8Very low123 Ų123158.6 Ų158.680%0.79981%0.809SS**  trans-73.2108.7171.628.5-31.3000108.9I489P487-I489 PolarHBondContact O-N 2.92Å
488R37.6Very low36.7Very low240 Ų240162.6 Ų162.691%0.90682%0.822SS**  trans-64.4127.5167.1-80.4-171.4-176.9179.53109.5T486T486-R488 PolarHBondContact O-N 3.15Å; T486-R488 VanDerWaalsContact O-N 3.15Å
489I44.8Very low36.7Very low168 Ų168167.9 Ų167.986%0.86284%0.837SS**  trans-56.4138.5166.7-60.8165.4000109.5P487P487-I489 PolarHBondContact O-N 2.92Å
490R40Very low36.6Very low309 Ų309169.5 Ų169.5100%1.16684%0.84SS**  trans-137.40152.1-161.4-178.5-157.4-176.87.7109.3

Retrieved 490 of 490 residues in 639.1 ms (Link to these results)

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