A0A087XZR6_POEFO Loading...

Chromosome 7 open reading frame 25

AlphaFold DB , UniProt , Accession A0A087XZR6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 421 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
1M57.9Low84Confident188 Ų18871.8 Ų71.893%0.92638%0.377SS*.  0142.50-73.2-145.7-108.400108.9
2S80.7Confident84.9Confident75 Ų7570.4 Ų70.452%0.52438%0.377SS..  trans-67154.7175.868.30000110.9Q4 A5 T6S2-Q4 PolarHBondContact O-N 2.91Å; S2-A5 PolarHBondContact O-N 3.07Å; S2-A5 WeakPolarHBondContact OG-CB 3.38Å; S2-A5 PolarHBondContact OG-N 3.13Å; S2-T6 PolarHBondContact O-N 3.27Å; S2-T6 VanDerWaalsContact O-N 3.07Å; S2-T6 PolarHBondContact O-OG1 3.05Å
3L78.8Confident85.5Confident78 Ų7868.9 Ų68.941%0.40838%0.376SS..Hα-helixtrans-54.4-42176.8-17099.3000111T6 L7 Q57 L60L3-T6 PolarHBondContact O-N 3.24Å; L3-L7 WeakPolarHBondContact O-CB 3.43Å; L3-L7 PolarHBondContact O-N 3.07Å; L3-Q57 HydrophobicContact CD1-CB 3.62Å; L3-Q57 HydrophobicContact CD1-CG 3.88Å; L3-L60 HydrophobicContact CD1-CD1 3.99Å; L3-L60 HydrophobicContact CG-CD1 3.97Å
4Q83.1Confident86.2Confident157 Ų15764 Ų6473%0.73435%0.349SS*.Hα-helixtrans-68.2-40.2-179.2-166.3163.82.400112.7S2 T6 L7 Q8S2-Q4 PolarHBondContact O-N 2.91Å; Q4-T6 VanDerWaalsContact C-N 3.34Å; Q4-T6 PolarHBondContact O-N 2.85Å; Q4-L7 PolarHBondContact O-N 2.91Å; Q4-Q8 WeakPolarHBondContact O-CB 3.45Å; Q4-Q8 PolarHBondContact O-N 3.21Å
5A85.2Confident86.8Confident43 Ų4364.6 Ų64.636%0.35535%0.348SS..Hα-helixtrans-63.4-41.417400000111.7S2 Q8 D9S2-A5 PolarHBondContact O-N 3.07Å; S2-A5 WeakPolarHBondContact OG-CB 3.38Å; S2-A5 PolarHBondContact OG-N 3.13Å; A5-Q8 PolarHBondContact O-N 2.92Å; A5-D9 WeakPolarHBondContact O-CB 3.17Å; A5-D9 PolarHBondContact O-N 2.81Å
6T86.3Confident87.4Confident11 Ų1163.6 Ų63.67%0.06735%0.352CS..Hα-helixtrans-65.1-41.9177.4-49.80000111.2S2 L3 Q4 D9 R10S2-T6 PolarHBondContact O-N 3.27Å; S2-T6 VanDerWaalsContact O-N 3.07Å; S2-T6 PolarHBondContact O-OG1 3.05Å; L3-T6 PolarHBondContact O-N 3.24Å; Q4-T6 VanDerWaalsContact C-N 3.34Å; Q4-T6 PolarHBondContact O-N 2.85Å; T6-D9 PolarHBondContact O-N 3.35Å; T6-R10 VanDerWaalsContact O-CG 3.27Å; T6-R10 WeakPolarHBondContact O-CG 3.39Å; T6-R10 PolarHBondContact O-N 3.1Å; T6-R10 VanDerWaalsContact O-N 3.08Å
7L88.8Confident87.9Confident12 Ų1260.1 Ų60.16%0.06333%0.332CS..Hα-helixtrans-62.9-45.5177.1179.160.7000111.8L3 Q4 D9 R10 I11 L45 V48 E49 L60L3-L7 WeakPolarHBondContact O-CB 3.43Å; L3-L7 PolarHBondContact O-N 3.07Å; Q4-L7 PolarHBondContact O-N 2.91Å; L7-D9 VanDerWaalsContact C-N 3.35Å; L7-D9 PolarHBondContact O-N 3.11Å; L7-R10 PolarHBondContact O-N 2.85Å; L7-I11 HydrophobicContact CD1-CD1 4.21Å; L7-I11 HydrophobicContact CD1-CG1 4.44Å; L7-I11 HydrophobicContact CG-CD1 4.05Å; L7-I11 WeakPolarHBondContact O-CG1 3.37Å; L7-I11 PolarHBondContact O-N 2.94Å; L7-L45 HydrophobicContact CD1-CB 4.32Å; L7-L45 HydrophobicContact CD1-CD2 4Å; L7-V48 HydrophobicContact CD1-CB 4.22Å; L7-V48 HydrophobicContact CD1-CG1 4.21Å; L7-V48 HydrophobicContact CD2-CB 4.35Å; L7-V48 HydrophobicContact CD2-CG1 3.95Å; L7-E49 HydrophobicContact CD2-CB 3.86Å; L7-E49 HydrophobicContact CD2-CG 4.49Å; L7-L60 HydrophobicContact CB-CD1 4.35Å; L7-L60 HydrophobicContact CD1-CD2 3.82Å
8Q89.9Confident88.4Confident86 Ų8657.8 Ų57.840%0.40232%0.319SS..Hα-helixtrans-60.5-45.4178.8-168.963.92100111.6Q4 A5 R10 I11 S12 E49Q4-Q8 WeakPolarHBondContact O-CB 3.45Å; Q4-Q8 PolarHBondContact O-N 3.21Å; A5-Q8 PolarHBondContact O-N 2.92Å; Q8-R10 VanDerWaalsContact C-N 3.32Å; Q8-R10 PolarHBondContact O-N 2.67Å; Q8-I11 PolarHBondContact O-N 3.08Å; Q8-S12 PolarHBondContact O-N 3.42Å; Q8-S12 PolarHBondContact O-OG 3.01Å; Q8-E49 PolarHBondContact OE1-OE1 3.38Å
9D90.1Very high88.8Confident85 Ų8561.4 Ų61.446%0.45533%0.334SS..Hα-helixtrans-59-42.1176.3179.860000112.1A5 T6 L7 S12 S13A5-D9 WeakPolarHBondContact O-CB 3.17Å; A5-D9 PolarHBondContact O-N 2.81Å; T6-D9 PolarHBondContact O-N 3.35Å; L7-D9 VanDerWaalsContact C-N 3.35Å; L7-D9 PolarHBondContact O-N 3.11Å; D9-S12 PolarHBondContact O-N 3.19Å; D9-S13 VanDerWaalsContact O-CB 3.27Å; D9-S13 WeakPolarHBondContact O-CB 3.45Å; D9-S13 PolarHBondContact O-N 3.22Å; D9-S13 PolarHBondContact O-OG 3.04Å
10R90.7Very high89.1Confident55 Ų5562.9 Ų62.921%0.20833%0.334CS..Hα-helixtrans-64.8-41.1175.5-67.4-59.4-174.1-167.2-0.1112.5T6 L7 Q8 S13 A14 L45 L65T6-R10 VanDerWaalsContact O-CG 3.27Å; T6-R10 WeakPolarHBondContact O-CG 3.39Å; T6-R10 PolarHBondContact O-N 3.1Å; T6-R10 VanDerWaalsContact O-N 3.08Å; L7-R10 PolarHBondContact O-N 2.85Å; Q8-R10 VanDerWaalsContact C-N 3.32Å; Q8-R10 PolarHBondContact O-N 2.67Å; R10-S13 PolarHBondContact O-N 3.41Å; R10-A14 VanDerWaalsContact O-CB 3.29Å; R10-A14 WeakPolarHBondContact O-CB 3.45Å; R10-A14 PolarHBondContact O-N 2.77Å; R10-L45 HydrophobicContact CB-CD1 4.05Å; R10-L45 HydrophobicContact CB-CD2 4.22Å; R10-L65 HydrophobicContact CB-CD1 4.06Å; R10-L65 WeakPolarHBondContact O-CD1 3.4Å
11I92.8Very high89.4Confident0 Ų059.9 Ų59.90%032%0.318CS..Hα-helixtrans-62.8-49.7176.7-72169.8000110.3L7 Q8 S13 A14 Q15 L42 L45 R46 E49L7-I11 HydrophobicContact CD1-CD1 4.21Å; L7-I11 HydrophobicContact CD1-CG1 4.44Å; L7-I11 HydrophobicContact CG-CD1 4.05Å; L7-I11 WeakPolarHBondContact O-CG1 3.37Å; L7-I11 PolarHBondContact O-N 2.94Å; Q8-I11 PolarHBondContact O-N 3.08Å; I11-S13 VanDerWaalsContact C-N 3.33Å; I11-S13 PolarHBondContact O-N 3.37Å; I11-A14 WeakPolarHBondContact O-CB 3.37Å; I11-A14 PolarHBondContact O-N 2.87Å; I11-Q15 WeakPolarHBondContact O-CG 3.41Å; I11-Q15 PolarHBondContact O-N 2.94Å; I11-L42 HydrophobicContact CG2-CD1 4.12Å; I11-L45 HydrophobicContact CD1-CB 4.36Å; I11-L45 HydrophobicContact CG1-CB 3.64Å; I11-L45 HydrophobicContact CG1-CD1 4.32Å; I11-R46 VanDerWaalsContact CG2-CZ 3.45Å; I11-R46 VanDerWaalsContact CG2-NH2 3.34Å; I11-E49 HydrophobicContact CD1-CB 4Å; I11-E49 HydrophobicContact CD1-CG 4.26Å
12S94.4Very high91.1Very high55 Ų5554.6 Ų54.639%0.38529%0.291SS..Hα-helixtrans-60.1-44178-660000111.5Q8 D9 A14 Q15 A16Q8-S12 PolarHBondContact O-N 3.42Å; Q8-S12 PolarHBondContact O-OG 3.01Å; D9-S12 PolarHBondContact O-N 3.19Å; S12-A14 PolarHBondContact O-N 2.84Å; S12-Q15 PolarHBondContact O-N 3.04Å; S12-A16 PolarHBondContact O-N 3.47Å
13S93.1Very high91.7Very high51 Ų5158.4 Ų58.436%0.35730%0.3SS..Hα-helixtrans-60.2-44.8174.8-660000112.2D9 R10 I11 Q15 A16 L17D9-S13 VanDerWaalsContact O-CB 3.27Å; D9-S13 WeakPolarHBondContact O-CB 3.45Å; D9-S13 PolarHBondContact O-N 3.22Å; D9-S13 PolarHBondContact O-OG 3.04Å; R10-S13 PolarHBondContact O-N 3.41Å; I11-S13 VanDerWaalsContact C-N 3.33Å; I11-S13 PolarHBondContact O-N 3.37Å; S13-Q15 PolarHBondContact O-N 2.89Å; S13-A16 PolarHBondContact O-N 3.18Å; S13-L17 WeakPolarHBondContact O-CB 3.26Å; S13-L17 PolarHBondContact O-N 3.33Å
14A94.8Very high92.3Very high0 Ų055.4 Ų55.40%029%0.285CS..Hα-helixtrans-63.2-40.4177.900000112.4R10 I11 S12 L17 L18 L42 L45 L65R10-A14 VanDerWaalsContact O-CB 3.29Å; R10-A14 WeakPolarHBondContact O-CB 3.45Å; R10-A14 PolarHBondContact O-N 2.77Å; I11-A14 WeakPolarHBondContact O-CB 3.37Å; I11-A14 PolarHBondContact O-N 2.87Å; S12-A14 PolarHBondContact O-N 2.84Å; A14-L17 PolarHBondContact O-N 3.12Å; A14-L18 WeakPolarHBondContact O-CB 3.48Å; A14-L18 PolarHBondContact O-N 3.36Å; A14-L42 HydrophobicContact CB-CD1 3.98Å; A14-L45 HydrophobicContact CB-CD1 4.05Å; A14-L65 HydrophobicContact CB-CD1 4.12Å; A14-L65 HydrophobicContact CB-CD2 3.59Å; A14-L65 HydrophobicContact CB-CG 4.49Å
15Q96.3Very high92.4Very high73 Ų7349.4 Ų49.434%0.34126%0.26SS..Hα-helixtrans-65.3-48.8177.3-72.9176.7-44.100111.6I11 S12 S13 L17 L18 Q19 L42I11-Q15 WeakPolarHBondContact O-CG 3.41Å; I11-Q15 PolarHBondContact O-N 2.94Å; S12-Q15 PolarHBondContact O-N 3.04Å; S13-Q15 PolarHBondContact O-N 2.89Å; Q15-L17 VanDerWaalsContact C-N 3.28Å; Q15-L17 PolarHBondContact O-N 3.37Å; Q15-L18 PolarHBondContact O-N 2.91Å; Q15-Q19 PolarHBondContact O-N 3.38Å; Q15-L42 HydrophobicContact CG-CD1 3.72Å; Q15-L42 HydrophobicContact CG-CD2 3.94Å
16A95.8Very high92.4Very high49 Ų4952.5 Ų52.541%0.40528%0.276SS..Hα-helixtrans-60.4-40.9176.900000111.4S12 S13 Q19 R20S12-A16 PolarHBondContact O-N 3.47Å; S13-A16 PolarHBondContact O-N 3.18Å; A16-Q19 PolarHBondContact O-N 3.17Å; A16-R20 WeakPolarHBondContact O-CG 3.32Å; A16-R20 PolarHBondContact O-N 2.97Å; A16-R20 VanDerWaalsContact O-N 3.08Å
17L95.6Very high92.5Very high4 Ų455.9 Ų55.92%0.02131%0.313CS..Hα-helixtrans-67.1-39178.4-172.164000112.7S13 A14 Q15 R20 A21 L38 L65 L68 T69 V72S13-L17 WeakPolarHBondContact O-CB 3.26Å; S13-L17 PolarHBondContact O-N 3.33Å; A14-L17 PolarHBondContact O-N 3.12Å; Q15-L17 VanDerWaalsContact C-N 3.28Å; Q15-L17 PolarHBondContact O-N 3.37Å; L17-R20 PolarHBondContact O-N 3.01Å; L17-A21 WeakPolarHBondContact O-CB 3.48Å; L17-A21 PolarHBondContact O-N 2.84Å; L17-L38 HydrophobicContact CB-CD2 4.24Å; L17-L38 HydrophobicContact CD2-CD2 3.44Å; L17-L38 VanDerWaalsContact CD2-CD2 3.44Å; L17-L38 HydrophobicContact CG-CD1 4.4Å; L17-L38 HydrophobicContact CG-CD2 3.71Å; L17-L65 HydrophobicContact CD2-CD2 4.47Å; L17-L68 HydrophobicContact CD2-CB 4.11Å; L17-T69 WeakPolarHBondContact CD2-OG1 3.49Å; L17-V72 HydrophobicContact CD1-CB 3.7Å; L17-V72 HydrophobicContact CD1-CG1 3.81Å; L17-V72 HydrophobicContact CD1-CG2 3.75Å; L17-V72 HydrophobicContact CG-CG2 4.21Å
18L96.3Very high92.7Very high19 Ų1956.7 Ų56.710%0.09932%0.319CS..Hα-helixtrans-63.2-45.6174.2177.661.2000111.6A14 Q15 R20 A21 E22 C35 L38 R39 L42A14-L18 WeakPolarHBondContact O-CB 3.48Å; A14-L18 PolarHBondContact O-N 3.36Å; Q15-L18 PolarHBondContact O-N 2.91Å; L18-R20 VanDerWaalsContact C-N 3.29Å; L18-R20 PolarHBondContact O-N 3.23Å; L18-A21 PolarHBondContact O-N 2.74Å; L18-A21 VanDerWaalsContact O-N 3.12Å; L18-E22 HydrophobicContact CD1-CG 4.07Å; L18-E22 HydrophobicContact CG-CG 4.42Å; L18-E22 WeakPolarHBondContact O-CG 3.39Å; L18-E22 PolarHBondContact O-N 2.96Å; L18-C35 HydrophobicContact CD1-CB 4.3Å; L18-L38 HydrophobicContact CB-CB 4.36Å; L18-L38 HydrophobicContact CD1-CB 3.86Å; L18-L38 HydrophobicContact CD1-CD1 4.49Å; L18-R39 HydrophobicContact CD1-CG 3.91Å; L18-R39 HydrophobicContact CD2-CG 3.66Å; L18-R39 HydrophobicContact CG-CG 4.47Å; L18-L42 HydrophobicContact CD2-CD2 4.45Å
19Q95.9Very high93Very high126 Ų12657.8 Ų57.859%0.58932%0.324SS*.Hα-helixtrans-58.5-43176.6-74.6-179.5-11.200111.7Q15 A16 E22 H23Q15-Q19 PolarHBondContact O-N 3.38Å; A16-Q19 PolarHBondContact O-N 3.17Å; Q19-E22 PolarHBondContact O-N 3.27Å; Q19-H23 PolarHBondContact O-ND1 2.94Å
20R95.7Very high93.3Very high90 Ų9054.7 Ų54.734%0.3431%0.312SS..Hα-helixtrans-61.3-44.6174.6-71.9168.763.8-150.40.3111.7A16 L17 L18 H23 L24 V72 D73A16-R20 WeakPolarHBondContact O-CG 3.32Å; A16-R20 PolarHBondContact O-N 2.97Å; A16-R20 VanDerWaalsContact O-N 3.08Å; L17-R20 PolarHBondContact O-N 3.01Å; L18-R20 VanDerWaalsContact C-N 3.29Å; L18-R20 PolarHBondContact O-N 3.23Å; R20-H23 PolarHBondContact O-N 2.78Å; R20-L24 PolarHBondContact O-N 3.46Å; R20-V72 HydrophobicContact CB-CG1 4.2Å; R20-D73 IonicContact CZ-OD1 3.63Å; R20-D73 IonicContact NH1-OD1 2.89Å; R20-D73 PolarHBondContact NH1-OD1 2.92Å; R20-D73 IonicContact NH2-OD1 3.22Å; R20-D73 PolarHBondContact NH2-OD1 2.8Å
21A94.9Very high93.5Very high0 Ų052.8 Ų52.80%031%0.306CS..Hα-helixtrans-66.6-35.2-179.200000113.1L17 L18 H23 L24 H31 L38 V72L17-A21 WeakPolarHBondContact O-CB 3.48Å; L17-A21 PolarHBondContact O-N 2.84Å; L18-A21 PolarHBondContact O-N 2.74Å; L18-A21 VanDerWaalsContact O-N 3.12Å; A21-H23 PolarHBondContact O-N 2.97Å; A21-L24 WeakPolarHBondContact O-CB 3.34Å; A21-L24 PolarHBondContact O-N 3.49Å; A21-L24 VanDerWaalsContact O-N 3.12Å; A21-H31 PolarHBondContact O-NE2 3.04Å; A21-H31 VanDerWaalsContact O-NE2 3.11Å; A21-L38 HydrophobicContact CB-CD1 3.42Å; A21-L38 VanDerWaalsContact CB-CD1 3.42Å; A21-V72 HydrophobicContact CB-CG2 4.02Å
22E94.7Very high93.7Very high77 Ų7758.7 Ų58.736%0.3633%0.333SS..Hα-helixtrans-66.8-24.7-179.6-75.5177.6157.300113.8L18 Q19 R39L18-E22 HydrophobicContact CD1-CG 4.07Å; L18-E22 HydrophobicContact CG-CG 4.42Å; L18-E22 WeakPolarHBondContact O-CG 3.39Å; L18-E22 PolarHBondContact O-N 2.96Å; Q19-E22 PolarHBondContact O-N 3.27Å; E22-R39 IonicContact OE1-CZ 2.72Å; E22-R39 IonicContact OE1-NE 2.9Å; E22-R39 IonicContact OE1-NH2 3.17Å; E22-R39 PolarHBondContact OE1-NH2 3.43Å
23H93.3Very high93.8Very high156 Ų15660.7 Ų60.772%0.72234%0.335SS*.THydrogen-bonded Turntrans-96.3-3.9175.7-61.786.7000112.6Q19 R20 A21Q19-H23 PolarHBondContact O-ND1 2.94Å; R20-H23 PolarHBondContact O-N 2.78Å; A21-H23 PolarHBondContact O-N 2.97Å
24L90.6Very high93.9Very high15 Ų1558.3 Ų58.38%0.07932%0.318CS..SBendtrans-86.2122.4-174.1-175.660.3000110.6R20 A21 H31 V72 A75 Q76R20-L24 PolarHBondContact O-N 3.46Å; A21-L24 WeakPolarHBondContact O-CB 3.34Å; A21-L24 PolarHBondContact O-N 3.49Å; A21-L24 VanDerWaalsContact O-N 3.12Å; L24-H31 PolarHBondContact O-CD2 2.9Å; L24-H31 PolarHBondContact O-NE2 3.38Å; L24-V72 HydrophobicContact CD2-CG1 4.21Å; L24-A75 HydrophobicContact CD2-CB 3.78Å; L24-A75 HydrophobicContact CG-CB 4.47Å; L24-Q76 HydrophobicContact CD1-CB 4.42Å; L24-Q76 HydrophobicContact CD1-CG 3.48Å; L24-Q76 VanDerWaalsContact CD1-CG 3.48Å; L24-Q76 HydrophobicContact CD2-CG 4.21Å; L24-Q76 HydrophobicContact CG-CG 4.45Å
25C84.6Confident94Very high31 Ų3158.3 Ų58.321%0.20932%0.318CS..SBendtrans49.658.1169.5-55.70000113.6G27 V28C25-G27 PolarHBondContact O-N 3.03Å; C25-V28 HydrophobicContact CB-CB 4.06Å; C25-V28 HydrophobicContact CB-CG2 3.75Å; C25-V28 VanDerWaalsContact O-CB 3.31Å; C25-V28 WeakPolarHBondContact O-CB 3.41Å; C25-V28 WeakPolarHBondContact O-CG2 3.49Å; C25-V28 PolarHBondContact O-N 3.22Å
26P86.2Confident94Very high107 Ų10756.2 Ų56.270%0.69532%0.316SS*.THydrogen-bonded Turntrans-60.6133.7-17625.8-34.3000111.3V28P26-V28 VanDerWaalsContact C-N 3.32Å; P26-V28 PolarHBondContact O-N 3.12Å
27G88.4Confident94Very high83 Ų8358 Ų5886%0.85632%0.315SS*.THydrogen-bonded Turntrans85.8-5.6179.400000115.3C25C25-G27 PolarHBondContact O-N 3.03Å
28V93.6Very high94Very high29 Ų2957.9 Ų57.918%0.17631%0.314CS..  trans-70.2144.7176.3168.60000111.7C25 P26 G30 H31 V81 V82 L84C25-V28 HydrophobicContact CB-CB 4.06Å; C25-V28 HydrophobicContact CB-CG2 3.75Å; C25-V28 VanDerWaalsContact O-CB 3.31Å; C25-V28 WeakPolarHBondContact O-CB 3.41Å; C25-V28 WeakPolarHBondContact O-CG2 3.49Å; C25-V28 PolarHBondContact O-N 3.22Å; P26-V28 VanDerWaalsContact C-N 3.32Å; P26-V28 PolarHBondContact O-N 3.12Å; V28-G30 PolarHBondContact O-N 2.88Å; V28-H31 WeakPolarHBondContact O-CB 3.44Å; V28-H31 PolarHBondContact O-N 3.12Å; V28-H31 VanDerWaalsContact O-N 3.16Å; V28-V81 HydrophobicContact CG1-CG1 4.28Å; V28-V81 WeakPolarHBondContact CG2-O 3.32Å; V28-V82 VanDerWaalsContact CG1-C 3.46Å; V28-V82 WeakPolarHBondContact CG1-O 3.49Å; V28-L84 HydrophobicContact CG1-CG 4.42Å
29E95.9Very high94.1Very high108 Ų10861 Ų6151%0.50533%0.325SS..BIsolated β-bridgetrans-55.4132.7177.4-165.7-161.6136.500110.7H31 A83 L84 H86E29-H31 PolarHBondContact O-N 3.33Å; E29-A83 HydrophobicContact CB-CB 4.02Å; E29-A83 CarbonylContact O-C 3.44Å; E29-A83 WeakPolarHBondContact O-CA 3.39Å; E29-L84 PolarHBondContact O-N 3.15Å; E29-H86 IonicContact OE1-CE1 3.65Å; E29-H86 PolarHBondContact OE1-CE1 3.3Å; E29-H86 IonicContact OE1-CG 3.65Å; E29-H86 IonicContact OE1-ND1 3.9Å; E29-H86 PolarHBondContact OE1-ND1 3.22Å; E29-H86 IonicContact OE2-CE1 3.08Å; E29-H86 PolarHBondContact OE2-CE1 2.97Å; E29-H86 IonicContact OE2-ND1 3.63Å; E29-H86 PolarHBondContact OE2-ND1 3.15Å; E29-H86 VanDerWaalsContact OE2-ND1 3.15Å
30G95.8Very high94Very high21 Ų2157 Ų5722%0.21631%0.313CS..THydrogen-bonded Turntrans77.4-1177.700000115.7V28 Q32 K33 L34 L84V28-G30 PolarHBondContact O-N 2.88Å; G30-Q32 PolarHBondContact O-N 2.86Å; G30-K33 WeakPolarHBondContact O-CA 3.46Å; G30-K33 VanDerWaalsContact O-CB 3.29Å; G30-K33 WeakPolarHBondContact O-CB 3.49Å; G30-K33 PolarHBondContact O-N 3.34Å; G30-L34 PolarHBondContact O-N 2.97Å; G30-L84 WeakPolarHBondContact CA-O 3.44Å
31H95.9Very high94Very high15 Ų1553.3 Ų53.37%0.06930%0.3CS..Hα-helixtrans-51.3-52.5170.5170.4-95.3000112.2A21 L24 V28 E29 K33 L34 C35A21-H31 PolarHBondContact O-NE2 3.04Å; A21-H31 VanDerWaalsContact O-NE2 3.11Å; L24-H31 PolarHBondContact O-CD2 2.9Å; L24-H31 PolarHBondContact O-NE2 3.38Å; V28-H31 WeakPolarHBondContact O-CB 3.44Å; V28-H31 PolarHBondContact O-N 3.12Å; V28-H31 VanDerWaalsContact O-N 3.16Å; E29-H31 PolarHBondContact O-N 3.33Å; H31-K33 PolarHBondContact O-N 3.39Å; H31-L34 PolarHBondContact O-N 3.3Å; H31-L34 VanDerWaalsContact O-N 3.16Å; H31-C35 PolarHBondContact O-N 3.16Å
32Q95.6Very high93.9Very high123 Ų12354.7 Ų54.758%0.57531%0.307SS*.Hα-helixtrans-63.7-29.4178.4-67.8-59.9-25.100112.9G30 G36G30-Q32 PolarHBondContact O-N 2.86Å; Q32-G36 PolarHBondContact O-N 3.23Å
33K96.1Very high93.9Very high97 Ų9758 Ų5842%0.42232%0.316SS..Hα-helixtrans-68.8-41.7176.4-172.6-178.4176.3-174.30110.8G30 H31 G36 K37 L85G30-K33 WeakPolarHBondContact O-CA 3.46Å; G30-K33 VanDerWaalsContact O-CB 3.29Å; G30-K33 WeakPolarHBondContact O-CB 3.49Å; G30-K33 PolarHBondContact O-N 3.34Å; H31-K33 PolarHBondContact O-N 3.39Å; K33-G36 PolarHBondContact O-N 2.89Å; K33-K37 WeakPolarHBondContact O-CG 3.41Å; K33-K37 PolarHBondContact O-N 3.5Å; K33-L85 HydrophobicContact CB-CD1 4.45Å; K33-L85 HydrophobicContact CD-CB 4.08Å; K33-L85 HydrophobicContact CD-CD1 4.28Å; K33-L85 HydrophobicContact CG-CD1 4.06Å; K33-L85 PolarHBondContact NZ-O 3.32Å
34L96.6Very high93.8Very high1 Ų153.7 Ų53.71%0.00530%0.295CS..Hα-helixtrans-62.5-51.4174.2177.560.1000111.1G30 H31 G36 K37 L38 L68 I71 V72 L84 L85G30-L34 PolarHBondContact O-N 2.97Å; H31-L34 PolarHBondContact O-N 3.3Å; H31-L34 VanDerWaalsContact O-N 3.16Å; L34-G36 VanDerWaalsContact C-N 3.27Å; L34-G36 PolarHBondContact O-N 3.35Å; L34-K37 PolarHBondContact O-N 2.89Å; L34-K37 VanDerWaalsContact O-N 3.13Å; L34-L38 HydrophobicContact CD1-CD1 4.38Å; L34-L38 HydrophobicContact CG-CD1 4.3Å; L34-L38 PolarHBondContact O-N 3.11Å; L34-L68 HydrophobicContact CD1-CD2 4.04Å; L34-I71 HydrophobicContact CD1-CB 4.34Å; L34-I71 HydrophobicContact CD1-CD1 4.4Å; L34-I71 HydrophobicContact CD1-CG2 4.01Å; L34-I71 HydrophobicContact CD2-CG2 3.98Å; L34-V72 HydrophobicContact CD2-CG2 4.12Å; L34-L84 HydrophobicContact CD2-CD1 4Å; L34-L85 HydrophobicContact CB-CD1 4.16Å; L34-L85 HydrophobicContact CD1-CD1 4.46Å
35C96.3Very high93.9Very high0 Ų053 Ų530%029%0.292CS..Hα-helixtrans-59.6-39176.5-64.70000111.8L18 H31 K37 L38 R39L18-C35 HydrophobicContact CD1-CB 4.3Å; H31-C35 PolarHBondContact O-N 3.16Å; C35-K37 PolarHBondContact O-N 3.06Å; C35-L38 PolarHBondContact O-N 3.36Å; C35-R39 WeakPolarHBondContact O-CB 3.31Å; C35-R39 VanDerWaalsContact O-CG 3.3Å; C35-R39 WeakPolarHBondContact O-CG 3.34Å; C35-R39 PolarHBondContact O-N 3.15Å
36G96.5Very high94.2Very high29 Ų2955.8 Ų55.830%0.29930%0.298SS..Hα-helixtrans-59.8-43.8174.200000113.2Q32 K33 L34 R39 A40Q32-G36 PolarHBondContact O-N 3.23Å; K33-G36 PolarHBondContact O-N 2.89Å; L34-G36 VanDerWaalsContact C-N 3.27Å; L34-G36 PolarHBondContact O-N 3.35Å; G36-R39 PolarHBondContact O-N 3.01Å; G36-A40 WeakPolarHBondContact O-CB 3.24Å; G36-A40 PolarHBondContact O-N 2.62Å
37K96.1Very high94.5Very high88 Ų8856.4 Ų56.438%0.38329%0.287SS..Hα-helixtrans-63.8-43.6174.9-74.9-172.2174.6-168.80112.1K33 L34 C35 A40 E41 L68 L85K33-K37 WeakPolarHBondContact O-CG 3.41Å; K33-K37 PolarHBondContact O-N 3.5Å; L34-K37 PolarHBondContact O-N 2.89Å; L34-K37 VanDerWaalsContact O-N 3.13Å; C35-K37 PolarHBondContact O-N 3.06Å; K37-A40 WeakPolarHBondContact O-CB 3.37Å; K37-A40 PolarHBondContact O-N 3.06Å; K37-E41 PolarHBondContact O-N 3.12Å; K37-L68 HydrophobicContact CB-CD2 3.93Å; K37-L68 HydrophobicContact CD-CD2 4.2Å; K37-L85 HydrophobicContact CD-CD1 3.94Å
38L96.1Very high94.6Very high0 Ų053.3 Ų53.30%025%0.251CS..Hα-helixtrans-62.8-43.6176.6-78.3163.3000112.3L17 L18 A21 L34 C35 A40 E41 L42 L68 V72L17-L38 HydrophobicContact CB-CD2 4.24Å; L17-L38 HydrophobicContact CD2-CD2 3.44Å; L17-L38 VanDerWaalsContact CD2-CD2 3.44Å; L17-L38 HydrophobicContact CG-CD1 4.4Å; L17-L38 HydrophobicContact CG-CD2 3.71Å; L18-L38 HydrophobicContact CB-CB 4.36Å; L18-L38 HydrophobicContact CD1-CB 3.86Å; L18-L38 HydrophobicContact CD1-CD1 4.49Å; A21-L38 HydrophobicContact CB-CD1 3.42Å; A21-L38 VanDerWaalsContact CB-CD1 3.42Å; L34-L38 HydrophobicContact CD1-CD1 4.38Å; L34-L38 HydrophobicContact CG-CD1 4.3Å; L34-L38 PolarHBondContact O-N 3.11Å; C35-L38 PolarHBondContact O-N 3.36Å; L38-A40 VanDerWaalsContact C-N 3.31Å; L38-A40 PolarHBondContact O-N 3.33Å; L38-E41 PolarHBondContact O-N 3.15Å; L38-L42 WeakPolarHBondContact O-CB 3.36Å; L38-L42 PolarHBondContact O-N 2.89Å; L38-L68 HydrophobicContact CD2-CB 3.79Å; L38-L68 HydrophobicContact CD2-CD1 3.76Å; L38-L68 HydrophobicContact CD2-CG 4.32Å; L38-L68 HydrophobicContact CG-CB 4.39Å; L38-L68 HydrophobicContact CG-CD1 4.11Å; L38-V72 HydrophobicContact CD1-CG2 4.37Å
39R96.6Very high94.5Very high85 Ų8555.7 Ų55.732%0.32126%0.26SS..Hα-helixtrans-63.4-37.1174.2-69.7177.1-163.2126.61.5111.9L18 E22 C35 G36 L42 R43L18-R39 HydrophobicContact CD1-CG 3.91Å; L18-R39 HydrophobicContact CD2-CG 3.66Å; L18-R39 HydrophobicContact CG-CG 4.47Å; E22-R39 IonicContact OE1-CZ 2.72Å; E22-R39 IonicContact OE1-NE 2.9Å; E22-R39 IonicContact OE1-NH2 3.17Å; E22-R39 PolarHBondContact OE1-NH2 3.43Å; C35-R39 WeakPolarHBondContact O-CB 3.31Å; C35-R39 VanDerWaalsContact O-CG 3.3Å; C35-R39 WeakPolarHBondContact O-CG 3.34Å; C35-R39 PolarHBondContact O-N 3.15Å; G36-R39 PolarHBondContact O-N 3.01Å; R39-L42 PolarHBondContact O-N 2.97Å; R39-R43 WeakPolarHBondContact O-CG 3.41Å; R39-R43 PolarHBondContact O-N 3.34Å; R39-R43 PolarHBondContact O-NH1 3.34Å
40A95.4Very high94.1Very high42 Ų4253.8 Ų53.835%0.34726%0.263SS..Hα-helixtrans-65.1-43.1175.700000111.9G36 K37 L38 R43 F44G36-A40 WeakPolarHBondContact O-CB 3.24Å; G36-A40 PolarHBondContact O-N 2.62Å; K37-A40 WeakPolarHBondContact O-CB 3.37Å; K37-A40 PolarHBondContact O-N 3.06Å; L38-A40 VanDerWaalsContact C-N 3.31Å; L38-A40 PolarHBondContact O-N 3.33Å; A40-R43 PolarHBondContact O-N 3.1Å; A40-F44 PolarHBondContact O-N 3.19Å
41E94.3Very high93.7Very high12 Ų1254.9 Ų54.96%0.05627%0.274CS..Hα-helixtrans-62.4-44.1175-167.570-174.300111.3K37 L38 R43 F44 L45 T63 N64 L65 L68K37-E41 PolarHBondContact O-N 3.12Å; L38-E41 PolarHBondContact O-N 3.15Å; E41-R43 PolarHBondContact O-N 3.29Å; E41-F44 WeakPolarHBondContact O-CB 3.41Å; E41-F44 PolarHBondContact O-N 3.04Å; E41-L45 WeakPolarHBondContact O-CG 3.49Å; E41-L45 PolarHBondContact O-N 2.78Å; E41-T63 WeakPolarHBondContact OE1-CA 3.44Å; E41-T63 WeakPolarHBondContact OE1-CB 3.43Å; E41-N64 PolarHBondContact OE1-N 3.28Å; E41-N64 WeakPolarHBondContact OE2-CB 3.27Å; E41-N64 PolarHBondContact OE2-ND2 2.99Å; E41-L65 HydrophobicContact CB-CD2 4.5Å; E41-L65 HydrophobicContact CG-CD2 3.72Å; E41-L65 HydrophobicContact CG-CG 3.84Å; E41-L68 HydrophobicContact CB-CD1 4.23Å
42L94.3Very high93.3Very high29 Ų2960.2 Ų60.215%0.15230%0.299CS..Hα-helixtrans-62.6-42.2176.4-175.763.5000111.9I11 A14 Q15 L18 L38 R39 F44 L45 R46I11-L42 HydrophobicContact CG2-CD1 4.12Å; A14-L42 HydrophobicContact CB-CD1 3.98Å; Q15-L42 HydrophobicContact CG-CD1 3.72Å; Q15-L42 HydrophobicContact CG-CD2 3.94Å; L18-L42 HydrophobicContact CD2-CD2 4.45Å; L38-L42 WeakPolarHBondContact O-CB 3.36Å; L38-L42 PolarHBondContact O-N 2.89Å; R39-L42 PolarHBondContact O-N 2.97Å; L42-F44 VanDerWaalsContact C-N 3.34Å; L42-F44 PolarHBondContact O-N 2.56Å; L42-L45 PolarHBondContact O-N 3.23Å; L42-R46 VanDerWaalsContact O-CG 3.31Å; L42-R46 WeakPolarHBondContact O-CG 3.41Å; L42-R46 PolarHBondContact O-N 3.2Å
43R93.7Very high92.7Very high148 Ų14857 Ų5756%0.55829%0.285SS*.Hα-helixtrans-60.7-43.2173.9-77.2-169.1-56.6-86.32.9111.6R39 A40 E41 R46 R47R39-R43 WeakPolarHBondContact O-CG 3.41Å; R39-R43 PolarHBondContact O-N 3.34Å; R39-R43 PolarHBondContact O-NH1 3.34Å; A40-R43 PolarHBondContact O-N 3.1Å; E41-R43 PolarHBondContact O-N 3.29Å; R43-R46 PolarHBondContact O-N 3.2Å; R43-R47 WeakPolarHBondContact O-CG 3.46Å; R43-R47 PolarHBondContact O-N 3.2Å
44F91.9Very high91.9Very high64 Ų6460.7 Ų60.728%0.28130%0.304SS..Hα-helixtrans-56.5-52.4175.3166-97000110.7A40 E41 L42 R46 R47 V48 L53 V55A40-F44 PolarHBondContact O-N 3.19Å; E41-F44 WeakPolarHBondContact O-CB 3.41Å; E41-F44 PolarHBondContact O-N 3.04Å; L42-F44 VanDerWaalsContact C-N 3.34Å; L42-F44 PolarHBondContact O-N 2.56Å; F44-R46 VanDerWaalsContact C-N 3.33Å; F44-R46 PolarHBondContact O-N 3.18Å; F44-R47 PolarHBondContact O-N 2.91Å; F44-R47 VanDerWaalsContact O-N 3.14Å; F44-V48 HydrophobicContact CE1-CG2 4.28Å; F44-V48 HydrophobicContact CE2-CG2 4.35Å; F44-V48 HydrophobicContact CZ-CG2 4.11Å; F44-V48 WeakPolarHBondContact O-CG2 3.09Å; F44-V48 PolarHBondContact O-N 2.89Å; F44-V48 VanDerWaalsContact O-N 3.15Å; F44-L53 HydrophobicContact CD2-CD2 3.89Å; F44-L53 HydrophobicContact CE2-CD2 3.35Å; F44-L53 HydrophobicContact CZ-CD2 4.22Å; F44-V55 HydrophobicContact CZ-CG1 4.47Å
45L91.8Very high91.2Very high0 Ų061.9 Ų61.90%031%0.311CS..Hα-helixtrans-61.2-39.5-179.5-64.3170.6000112.8L7 R10 I11 A14 E41 L42 R47 V48 E49 L60 T63 L65L7-L45 HydrophobicContact CD1-CB 4.32Å; L7-L45 HydrophobicContact CD1-CD2 4Å; R10-L45 HydrophobicContact CB-CD1 4.05Å; R10-L45 HydrophobicContact CB-CD2 4.22Å; I11-L45 HydrophobicContact CD1-CB 4.36Å; I11-L45 HydrophobicContact CG1-CB 3.64Å; I11-L45 HydrophobicContact CG1-CD1 4.32Å; A14-L45 HydrophobicContact CB-CD1 4.05Å; E41-L45 WeakPolarHBondContact O-CG 3.49Å; E41-L45 PolarHBondContact O-N 2.78Å; L42-L45 PolarHBondContact O-N 3.23Å; L45-R47 PolarHBondContact O-N 3.08Å; L45-V48 WeakPolarHBondContact O-CB 3.31Å; L45-V48 PolarHBondContact O-N 2.82Å; L45-E49 PolarHBondContact O-N 2.87Å; L45-L60 HydrophobicContact CD2-CD2 4.18Å; L45-T63 HydrophobicContact CD2-CG2 3.98Å; L45-L65 HydrophobicContact CD1-CD1 3.97Å
46R92.1Very high90.2Very high91 Ų9169 Ų6934%0.34334%0.342SS..Hα-helixtrans-64.9-35.6176.1-71.4-64.8-175.2-178.2-2.1113I11 L42 R43 F44 V48 E49 A50I11-R46 VanDerWaalsContact CG2-CZ 3.45Å; I11-R46 VanDerWaalsContact CG2-NH2 3.34Å; L42-R46 VanDerWaalsContact O-CG 3.31Å; L42-R46 WeakPolarHBondContact O-CG 3.41Å; L42-R46 PolarHBondContact O-N 3.2Å; R43-R46 PolarHBondContact O-N 3.2Å; F44-R46 VanDerWaalsContact C-N 3.33Å; F44-R46 PolarHBondContact O-N 3.18Å; R46-V48 VanDerWaalsContact C-N 3.33Å; R46-E49 WeakPolarHBondContact CD-OE2 3.37Å; R46-E49 IonicContact CZ-OE2 3.34Å; R46-E49 IonicContact NE-OE2 3.88Å; R46-E49 IonicContact NH1-OE1 3.53Å; R46-E49 PolarHBondContact NH1-OE1 3.02Å; R46-E49 IonicContact NH1-OE2 3.95Å; R46-E49 PolarHBondContact NH1-OE2 2.91Å; R46-E49 WeakPolarHBondContact O-CB 3.29Å; R46-E49 PolarHBondContact O-N 3.4Å; R46-A50 WeakPolarHBondContact O-CB 3.43Å; R46-A50 PolarHBondContact O-N 3.17Å
47R92.3Very high89.2Confident120 Ų12072 Ų7245%0.45335%0.348SS..Hα-helixtrans-67.8-34.4174.3-69.3-17966-151.8-6112.4R43 F44 L45 G51 E52 L53R43-R47 WeakPolarHBondContact O-CG 3.46Å; R43-R47 PolarHBondContact O-N 3.2Å; F44-R47 PolarHBondContact O-N 2.91Å; F44-R47 VanDerWaalsContact O-N 3.14Å; L45-R47 PolarHBondContact O-N 3.08Å; R47-G51 PolarHBondContact O-N 2.94Å; R47-E52 HydrophobicContact CB-CB 4.36Å; R47-E52 WeakPolarHBondContact CG-OE2 3.47Å; R47-E52 IonicContact NE-OE2 2.65Å; R47-E52 PolarHBondContact NE-OE2 3.34Å; R47-E52 VanDerWaalsContact NE-OE2 3.12Å; R47-E52 WeakPolarHBondContact O-CB 3.43Å; R47-E52 PolarHBondContact O-N 3.24Å; R47-L53 PolarHBondContact O-N 3.34Å
48V89.9Confident88.1Confident17 Ų1771.2 Ų71.210%0.10335%0.354CS..Hα-helixtrans-65.6-43.5171.9-177.40000110.7L7 F44 L45 R46 A50 G51 L53 V55 L60L7-V48 HydrophobicContact CD1-CB 4.22Å; L7-V48 HydrophobicContact CD1-CG1 4.21Å; L7-V48 HydrophobicContact CD2-CB 4.35Å; L7-V48 HydrophobicContact CD2-CG1 3.95Å; F44-V48 HydrophobicContact CE1-CG2 4.28Å; F44-V48 HydrophobicContact CE2-CG2 4.35Å; F44-V48 HydrophobicContact CZ-CG2 4.11Å; F44-V48 WeakPolarHBondContact O-CG2 3.09Å; F44-V48 PolarHBondContact O-N 2.89Å; F44-V48 VanDerWaalsContact O-N 3.15Å; L45-V48 WeakPolarHBondContact O-CB 3.31Å; L45-V48 PolarHBondContact O-N 2.82Å; R46-V48 VanDerWaalsContact C-N 3.33Å; V48-A50 VanDerWaalsContact C-N 3.34Å; V48-A50 PolarHBondContact O-N 3.21Å; V48-G51 PolarHBondContact O-N 2.89Å; V48-G51 VanDerWaalsContact O-N 3.11Å; V48-L53 HydrophobicContact CG2-CB 4.3Å; V48-L53 HydrophobicContact CG2-CD2 4.1Å; V48-V55 HydrophobicContact CB-CG2 4.19Å; V48-V55 HydrophobicContact CG1-CG2 3.77Å; V48-V55 HydrophobicContact CG2-CG2 3.36Å; V48-L60 HydrophobicContact CG1-CD2 4.41Å
49E90.6Very high87.1Confident80 Ų8076 Ų7637%0.37438%0.376SS..Hα-helixtrans-62.7-40.1178-175.8-172.1-138.700112.2L7 Q8 I11 L45 R46 G51L7-E49 HydrophobicContact CD2-CB 3.86Å; L7-E49 HydrophobicContact CD2-CG 4.49Å; Q8-E49 PolarHBondContact OE1-OE1 3.38Å; I11-E49 HydrophobicContact CD1-CB 4Å; I11-E49 HydrophobicContact CD1-CG 4.26Å; L45-E49 PolarHBondContact O-N 2.87Å; R46-E49 WeakPolarHBondContact CD-OE2 3.37Å; R46-E49 IonicContact CZ-OE2 3.34Å; R46-E49 IonicContact NE-OE2 3.88Å; R46-E49 IonicContact NH1-OE1 3.53Å; R46-E49 PolarHBondContact NH1-OE1 3.02Å; R46-E49 IonicContact NH1-OE2 3.95Å; R46-E49 PolarHBondContact NH1-OE2 2.91Å; R46-E49 WeakPolarHBondContact O-CB 3.29Å; R46-E49 PolarHBondContact O-N 3.4Å; E49-G51 PolarHBondContact O-N 2.96Å
50A89.2Confident86.1Confident68 Ų6871.9 Ų71.956%0.56236%0.36SS*.THydrogen-bonded Turntrans-72.3-4.7175.900000114R46 V48 E52R46-A50 WeakPolarHBondContact O-CB 3.43Å; R46-A50 PolarHBondContact O-N 3.17Å; V48-A50 VanDerWaalsContact C-N 3.34Å; V48-A50 PolarHBondContact O-N 3.21Å; A50-E52 HydrophobicContact CB-CG 4.07Å; A50-E52 PolarHBondContact O-N 2.9Å
51G86.8Confident84.9Confident43 Ų4373.9 Ų73.944%0.44336%0.362SS..THydrogen-bonded Turntrans74.95-177.800000114.7R47 V48 E49 L53R47-G51 PolarHBondContact O-N 2.94Å; V48-G51 PolarHBondContact O-N 2.89Å; V48-G51 VanDerWaalsContact O-N 3.11Å; E49-G51 PolarHBondContact O-N 2.96Å; G51-L53 PolarHBondContact O-N 2.88Å
52E86.9Confident83.7Confident128 Ų12877.8 Ų77.860%0.59839%0.391SS*.SBendtrans-68.8-20.8177.1-62.4177.5-167.300112.8R47 A50R47-E52 HydrophobicContact CB-CB 4.36Å; R47-E52 WeakPolarHBondContact CG-OE2 3.47Å; R47-E52 IonicContact NE-OE2 2.65Å; R47-E52 PolarHBondContact NE-OE2 3.34Å; R47-E52 VanDerWaalsContact NE-OE2 3.12Å; R47-E52 WeakPolarHBondContact O-CB 3.43Å; R47-E52 PolarHBondContact O-N 3.24Å; A50-E52 HydrophobicContact CB-CG 4.07Å; A50-E52 PolarHBondContact O-N 2.9Å
53L84Confident83Confident56 Ų5677 Ų7729%0.29339%0.387SS..SBendtrans-133.2114.9-178.9-161.285.8000110.2F44 R47 V48 G51 V55F44-L53 HydrophobicContact CD2-CD2 3.89Å; F44-L53 HydrophobicContact CE2-CD2 3.35Å; F44-L53 HydrophobicContact CZ-CD2 4.22Å; R47-L53 PolarHBondContact O-N 3.34Å; V48-L53 HydrophobicContact CG2-CB 4.3Å; V48-L53 HydrophobicContact CG2-CD2 4.1Å; G51-L53 PolarHBondContact O-N 2.88Å; L53-V55 HydrophobicContact CB-CG2 4.39Å; L53-V55 HydrophobicContact CD2-CG2 3.77Å; L53-V55 HydrophobicContact CG-CG2 4.08Å; L53-V55 WeakPolarHBondContact O-CG2 3.33Å
54Q79.5Confident82.7Confident174 Ų17474.6 Ų74.681%0.81339%0.386SS*.  trans-80.2123.4174-67.3-63.9-28.600109.7
55V80.4Confident82.6Confident25 Ų2571.7 Ų71.715%0.15237%0.373CS..  trans-135.9136.7-175.1-143.70000111.3F44 V48 L53 H59F44-V55 HydrophobicContact CZ-CG1 4.47Å; V48-V55 HydrophobicContact CB-CG2 4.19Å; V48-V55 HydrophobicContact CG1-CG2 3.77Å; V48-V55 HydrophobicContact CG2-CG2 3.36Å; L53-V55 HydrophobicContact CB-CG2 4.39Å; L53-V55 HydrophobicContact CD2-CG2 3.77Å; L53-V55 HydrophobicContact CG-CG2 4.08Å; L53-V55 WeakPolarHBondContact O-CG2 3.33Å; V55-H59 HydrophobicContact CG1-CB 3.36Å; V55-H59 WeakPolarHBondContact CG1-ND1 3.48Å
56K76.8Confident82.4Confident151 Ų15173.1 Ų73.166%0.65738%0.382SS*.  trans-64.6147.8171.9-65-176.6-179.6-179.40110S58 H59K56-S58 PolarHBondContact O-N 3.19Å; K56-S58 VanDerWaalsContact O-N 3.15Å; K56-H59 WeakPolarHBondContact O-CB 3.47Å; K56-H59 PolarHBondContact O-N 3.29Å
57Q74.4Confident82.4Confident92 Ų9271 Ų7143%0.4338%0.375SS..Hα-helixtrans-55.4-34.4177.4-171.3173-0.800112.8L3 H59 L60 H61L3-Q57 HydrophobicContact CD1-CB 3.62Å; L3-Q57 HydrophobicContact CD1-CG 3.88Å; Q57-H59 VanDerWaalsContact C-N 3.26Å; Q57-H59 PolarHBondContact O-N 2.87Å; Q57-L60 PolarHBondContact O-N 3.4Å; Q57-L60 VanDerWaalsContact O-N 3.15Å; Q57-H61 PolarHBondContact O-CD2 2.83Å; Q57-H61 PolarHBondContact O-N 3.12Å
58S72.9Confident82.5Confident71 Ų7165.4 Ų65.450%0.49736%0.355SS..Hα-helixtrans-58.1-35175.354.30000113.4K56 H61 S62K56-S58 PolarHBondContact O-N 3.19Å; K56-S58 VanDerWaalsContact O-N 3.15Å; S58-H61 PolarHBondContact O-N 3.38Å; S58-S62 PolarHBondContact O-N 3.11Å; S58-S62 VanDerWaalsContact O-N 3.15Å
59H74.8Confident82.6Confident99 Ų9966.6 Ų66.646%0.45836%0.362SS..Hα-helixtrans-71.8-33178.6-60.4171.2000111.7V55 K56 Q57 H61 S62 T63V55-H59 HydrophobicContact CG1-CB 3.36Å; V55-H59 WeakPolarHBondContact CG1-ND1 3.48Å; K56-H59 WeakPolarHBondContact O-CB 3.47Å; K56-H59 PolarHBondContact O-N 3.29Å; Q57-H59 VanDerWaalsContact C-N 3.26Å; Q57-H59 PolarHBondContact O-N 2.87Å; H59-H61 VanDerWaalsContact C-N 3.3Å; H59-H61 PolarHBondContact O-N 3.15Å; H59-S62 CarbonylContact O-C 3.09Å; H59-S62 PolarHBondContact O-N 2.95Å; H59-S62 VanDerWaalsContact O-N 3.14Å; H59-T63 PolarHBondContact O-N 3.34Å
60L75.9Confident82.7Confident0 Ų062.8 Ų62.80%034%0.344CS..Hα-helixtrans-68.9-29.5173.3-66.9177.4000112.5L3 L7 L45 V48 Q57 S62 T63L3-L60 HydrophobicContact CD1-CD1 3.99Å; L3-L60 HydrophobicContact CG-CD1 3.97Å; L7-L60 HydrophobicContact CB-CD1 4.35Å; L7-L60 HydrophobicContact CD1-CD2 3.82Å; L45-L60 HydrophobicContact CD2-CD2 4.18Å; V48-L60 HydrophobicContact CG1-CD2 4.41Å; Q57-L60 PolarHBondContact O-N 3.4Å; Q57-L60 VanDerWaalsContact O-N 3.15Å; L60-S62 VanDerWaalsContact C-N 3.31Å; L60-T63 WeakPolarHBondContact O-CG2 3.39Å
61H69.6Low83Confident83 Ų8359.6 Ų59.638%0.38432%0.318SS..Hα-helixtrans-77.3-16.4171.8-68.7-62.5000113.4Q57 S58 H59Q57-H61 PolarHBondContact O-CD2 2.83Å; Q57-H61 PolarHBondContact O-N 3.12Å; S58-H61 PolarHBondContact O-N 3.38Å; H59-H61 VanDerWaalsContact C-N 3.3Å; H59-H61 PolarHBondContact O-N 3.15Å
62S69Low83.4Confident95 Ų9557.5 Ų57.566%0.66430%0.297SS*.THydrogen-bonded Turntrans-110.430-179.1-1700000113S58 H59 L60S58-S62 PolarHBondContact O-N 3.11Å; S58-S62 VanDerWaalsContact O-N 3.15Å; H59-S62 CarbonylContact O-C 3.09Å; H59-S62 PolarHBondContact O-N 2.95Å; H59-S62 VanDerWaalsContact O-N 3.14Å; L60-S62 VanDerWaalsContact C-N 3.31Å
63T80.9Confident83.6Confident11 Ų1153 Ų537%0.06728%0.276CS..  trans-62.5152.3174.948.30000111.5E41 L45 H59 L60 L65E41-T63 WeakPolarHBondContact OE1-CA 3.44Å; E41-T63 WeakPolarHBondContact OE1-CB 3.43Å; L45-T63 HydrophobicContact CD2-CG2 3.98Å; H59-T63 PolarHBondContact O-N 3.34Å; L60-T63 WeakPolarHBondContact O-CG2 3.39Å; T63-L65 PolarHBondContact O-N 2.97Å; T63-L65 VanDerWaalsContact O-N 3.11Å
64N86.8Confident84.1Confident98 Ų9850.3 Ų50.352%0.52426%0.263SS..THydrogen-bonded Turntrans-68.4-9.9176.1-64.1-56.4000112.1E41 T66 H67 L68E41-N64 PolarHBondContact OE1-N 3.28Å; E41-N64 WeakPolarHBondContact OE2-CB 3.27Å; E41-N64 PolarHBondContact OE2-ND2 2.99Å; N64-T66 PolarHBondContact O-N 2.92Å; N64-H67 PolarHBondContact O-N 2.84Å; N64-L68 HydrophobicContact CB-CD1 4.24Å; N64-L68 HydrophobicContact CB-CG 4.48Å; N64-L68 WeakPolarHBondContact O-CG 3.41Å; N64-L68 PolarHBondContact O-N 2.88Å
65L89.3Confident84.8Confident4 Ų442.1 Ų42.12%0.02122%0.224CC..Hα-helixtrans-50.7-40.7180-70.2178.1000112.8R10 A14 L17 E41 L45 T63 H67 L68 T69R10-L65 HydrophobicContact CB-CD1 4.06Å; R10-L65 WeakPolarHBondContact O-CD1 3.4Å; A14-L65 HydrophobicContact CB-CD1 4.12Å; A14-L65 HydrophobicContact CB-CD2 3.59Å; A14-L65 HydrophobicContact CB-CG 4.49Å; L17-L65 HydrophobicContact CD2-CD2 4.47Å; E41-L65 HydrophobicContact CB-CD2 4.5Å; E41-L65 HydrophobicContact CG-CD2 3.72Å; E41-L65 HydrophobicContact CG-CG 3.84Å; L45-L65 HydrophobicContact CD1-CD1 3.97Å; T63-L65 PolarHBondContact O-N 2.97Å; T63-L65 VanDerWaalsContact O-N 3.11Å; L65-H67 VanDerWaalsContact C-N 3.31Å; L65-H67 PolarHBondContact O-N 2.84Å; L65-L68 PolarHBondContact O-N 2.72Å; L65-T69 VanDerWaalsContact O-CB 3.31Å; L65-T69 WeakPolarHBondContact O-CB 3.32Å; L65-T69 PolarHBondContact O-N 2.9Å; L65-T69 PolarHBondContact O-OG1 2.86Å
66T88.8Confident85.4Confident29 Ų2944.9 Ų44.918%0.17824%0.236CC..Hα-helixtrans-62.3-41.2-179.7-44.60000112.1N64 A70 N167N64-T66 PolarHBondContact O-N 2.92Å; T66-A70 WeakPolarHBondContact O-CB 3.47Å; T66-A70 PolarHBondContact O-N 2.81Å; T66-A70 VanDerWaalsContact O-N 3.08Å; T66-N167 WeakPolarHBondContact CG2-ND2 3.34Å
67H91.6Very high86.1Confident46 Ų4641.9 Ų41.921%0.21323%0.227CC..Hα-helixtrans-72.2-39.1176.3173.663.3000111.7N64 L65 A70 I71 D103 A115N64-H67 PolarHBondContact O-N 2.84Å; L65-H67 VanDerWaalsContact C-N 3.31Å; L65-H67 PolarHBondContact O-N 2.84Å; H67-A70 VanDerWaalsContact O-CB 3.31Å; H67-A70 WeakPolarHBondContact O-CB 3.34Å; H67-A70 PolarHBondContact O-N 2.79Å; H67-I71 WeakPolarHBondContact O-CG1 3.26Å; H67-I71 PolarHBondContact O-N 3.2Å; H67-I71 VanDerWaalsContact O-N 3.1Å; H67-D103 IonicContact CE1-OD1 3.6Å; H67-D103 IonicContact CE1-OD2 3.57Å; H67-D103 IonicContact NE2-OD1 2.76Å; H67-A115 PolarHBondContact CE1-O 3.28Å; H67-A115 VanDerWaalsContact CE1-O 3.25Å; H67-A115 PolarHBondContact ND1-O 2.83Å
68L94.5Very high86.9Confident4 Ų438.5 Ų38.52%0.02121%0.212CC..Hα-helixtrans-67.2-39177.5-63.6172.2000111.9L17 L34 K37 L38 E41 N64 L65 A70 I71 V72L17-L68 HydrophobicContact CD2-CB 4.11Å; L34-L68 HydrophobicContact CD1-CD2 4.04Å; K37-L68 HydrophobicContact CB-CD2 3.93Å; K37-L68 HydrophobicContact CD-CD2 4.2Å; L38-L68 HydrophobicContact CD2-CB 3.79Å; L38-L68 HydrophobicContact CD2-CD1 3.76Å; L38-L68 HydrophobicContact CD2-CG 4.32Å; L38-L68 HydrophobicContact CG-CB 4.39Å; L38-L68 HydrophobicContact CG-CD1 4.11Å; E41-L68 HydrophobicContact CB-CD1 4.23Å; N64-L68 HydrophobicContact CB-CD1 4.24Å; N64-L68 HydrophobicContact CB-CG 4.48Å; N64-L68 WeakPolarHBondContact O-CG 3.41Å; N64-L68 PolarHBondContact O-N 2.88Å; L65-L68 PolarHBondContact O-N 2.72Å; L68-A70 VanDerWaalsContact C-N 3.29Å; L68-A70 PolarHBondContact O-N 3.1Å; L68-I71 HydrophobicContact CD2-CD1 4.42Å; L68-I71 PolarHBondContact O-N 3.43Å; L68-V72 WeakPolarHBondContact O-CG2 3.48Å; L68-V72 PolarHBondContact O-N 3.48Å; L68-V72 VanDerWaalsContact O-N 3.1Å
69T92.7Very high87.8Confident42 Ų4242.4 Ų42.426%0.25822%0.222SC..Hα-helixtrans-58.1-46.7171.1-61.60000109.7L17 L65 I71 V72 D73L17-T69 WeakPolarHBondContact CD2-OG1 3.49Å; L65-T69 VanDerWaalsContact O-CB 3.31Å; L65-T69 WeakPolarHBondContact O-CB 3.32Å; L65-T69 PolarHBondContact O-N 2.9Å; L65-T69 PolarHBondContact O-OG1 2.86Å; T69-I71 VanDerWaalsContact C-N 3.26Å; T69-I71 PolarHBondContact O-N 3.34Å; T69-V72 PolarHBondContact O-N 3.46Å; T69-D73 WeakPolarHBondContact CG2-OD2 3.46Å; T69-D73 VanDerWaalsContact O-CB 3.32Å; T69-D73 WeakPolarHBondContact O-CB 3.22Å; T69-D73 VanDerWaalsContact O-CG 3.27Å; T69-D73 PolarHBondContact O-N 2.8Å
70A91.6Very high88.5Confident0 Ų042.9 Ų42.90%023%0.228CC..Hα-helixtrans-56.8-39.2178.800000113.3T66 H67 L68 S74 A115 Y166T66-A70 WeakPolarHBondContact O-CB 3.47Å; T66-A70 PolarHBondContact O-N 2.81Å; T66-A70 VanDerWaalsContact O-N 3.08Å; H67-A70 VanDerWaalsContact O-CB 3.31Å; H67-A70 WeakPolarHBondContact O-CB 3.34Å; H67-A70 PolarHBondContact O-N 2.79Å; L68-A70 VanDerWaalsContact C-N 3.29Å; L68-A70 PolarHBondContact O-N 3.1Å; A70-S74 VanDerWaalsContact O-CB 3.25Å; A70-S74 WeakPolarHBondContact O-CB 3.3Å; A70-S74 PolarHBondContact O-N 3.16Å; A70-S74 PolarHBondContact O-OG 2.88Å; A70-A115 HydrophobicContact CB-CB 3.74Å; A70-Y166 VanDerWaalsContact CA-CE2 3.4Å; A70-Y166 VanDerWaalsContact CA-CZ 3.44Å; A70-Y166 HydrophobicContact CB-CD1 4.04Å; A70-Y166 HydrophobicContact CB-CD2 3.07Å; A70-Y166 HydrophobicContact CB-CE1 4.25Å; A70-Y166 HydrophobicContact CB-CE2 3.3Å; A70-Y166 HydrophobicContact CB-CG 3.47Å; A70-Y166 VanDerWaalsContact CB-CG 3.47Å; A70-Y166 PolarHBondContact O-OH 2.92Å
71I95Very high89.4Confident0 Ų043.6 Ų43.60%023%0.232CC..Hα-helixtrans-67.4-50.6177.1-62.2169.2000110.9L34 H67 L68 T69 S74 A75 L84 L85 D103 V104 A115L34-I71 HydrophobicContact CD1-CB 4.34Å; L34-I71 HydrophobicContact CD1-CD1 4.4Å; L34-I71 HydrophobicContact CD1-CG2 4.01Å; L34-I71 HydrophobicContact CD2-CG2 3.98Å; H67-I71 WeakPolarHBondContact O-CG1 3.26Å; H67-I71 PolarHBondContact O-N 3.2Å; H67-I71 VanDerWaalsContact O-N 3.1Å; L68-I71 HydrophobicContact CD2-CD1 4.42Å; L68-I71 PolarHBondContact O-N 3.43Å; T69-I71 VanDerWaalsContact C-N 3.26Å; T69-I71 PolarHBondContact O-N 3.34Å; I71-S74 PolarHBondContact O-N 3.32Å; I71-A75 WeakPolarHBondContact O-CB 3.24Å; I71-A75 PolarHBondContact O-N 3.26Å; I71-L84 HydrophobicContact CG2-CD2 4.45Å; I71-L85 HydrophobicContact CD1-CD2 3.67Å; I71-D103 HydrophobicContact CD1-CB 4.4Å; I71-D103 HydrophobicContact CG1-CB 4.04Å; I71-V104 HydrophobicContact CG2-CG2 3.99Å; I71-A115 HydrophobicContact CG1-CB 3.72Å
72V95.1Very high90.6Very high0 Ų042.7 Ų42.70%023%0.232CC..Hα-helixtrans-61.7-47.5-178.3172.10000110.6L17 R20 A21 L24 L34 L38 L68 T69 S74 A75 Q76L17-V72 HydrophobicContact CD1-CB 3.7Å; L17-V72 HydrophobicContact CD1-CG1 3.81Å; L17-V72 HydrophobicContact CD1-CG2 3.75Å; L17-V72 HydrophobicContact CG-CG2 4.21Å; R20-V72 HydrophobicContact CB-CG1 4.2Å; A21-V72 HydrophobicContact CB-CG2 4.02Å; L24-V72 HydrophobicContact CD2-CG1 4.21Å; L34-V72 HydrophobicContact CD2-CG2 4.12Å; L38-V72 HydrophobicContact CD1-CG2 4.37Å; L68-V72 WeakPolarHBondContact O-CG2 3.48Å; L68-V72 PolarHBondContact O-N 3.48Å; L68-V72 VanDerWaalsContact O-N 3.1Å; T69-V72 PolarHBondContact O-N 3.46Å; V72-S74 PolarHBondContact O-N 3.04Å; V72-A75 PolarHBondContact O-N 3.4Å; V72-Q76 HydrophobicContact CG1-CG 4.47Å; V72-Q76 WeakPolarHBondContact O-CB 3.29Å; V72-Q76 WeakPolarHBondContact O-CG 3.45Å; V72-Q76 PolarHBondContact O-N 3.11Å
73D92.6Very high92Very high33 Ų3338.4 Ų38.418%0.17620%0.203CC..Hα-helixtrans-62.8-42.3179.1-70.93.3000110.9R20 T69 Q76 N77 Y166R20-D73 IonicContact CZ-OD1 3.63Å; R20-D73 IonicContact NH1-OD1 2.89Å; R20-D73 PolarHBondContact NH1-OD1 2.92Å; R20-D73 IonicContact NH2-OD1 3.22Å; R20-D73 PolarHBondContact NH2-OD1 2.8Å; T69-D73 WeakPolarHBondContact CG2-OD2 3.46Å; T69-D73 VanDerWaalsContact O-CB 3.32Å; T69-D73 WeakPolarHBondContact O-CB 3.22Å; T69-D73 VanDerWaalsContact O-CG 3.27Å; T69-D73 PolarHBondContact O-N 2.8Å; D73-Q76 PolarHBondContact O-N 3.25Å; D73-N77 PolarHBondContact O-N 2.8Å; D73-N77 PolarHBondContact O-ND2 3.34Å; D73-Y166 HydrophobicContact CB-CE1 3.6Å; D73-Y166 WeakPolarHBondContact CB-OH 3.44Å; D73-Y166 WeakPolarHBondContact OD2-CE1 3.41Å
74S93.2Very high92.8Very high0 Ų038 Ų380%020%0.2CC..Hα-helixtrans-63-46.1177-64.90000111.5A70 I71 V72 Q76 N77 L78 Y166A70-S74 VanDerWaalsContact O-CB 3.25Å; A70-S74 WeakPolarHBondContact O-CB 3.3Å; A70-S74 PolarHBondContact O-N 3.16Å; A70-S74 PolarHBondContact O-OG 2.88Å; I71-S74 PolarHBondContact O-N 3.32Å; V72-S74 PolarHBondContact O-N 3.04Å; S74-Q76 PolarHBondContact O-N 3.35Å; S74-N77 PolarHBondContact O-N 3.2Å; S74-L78 WeakPolarHBondContact O-CD1 3.38Å; S74-L78 VanDerWaalsContact O-CG 3.28Å; S74-L78 WeakPolarHBondContact O-CG 3.29Å; S74-Y166 PolarHBondContact N-OH 3.13Å; S74-Y166 PolarHBondContact OG-OH 3.28Å; S74-Y166 VanDerWaalsContact OG-OH 3.1Å
75A94.4Very high93.3Very high1 Ų133.4 Ų33.41%0.00818%0.176CC..Hα-helixtrans-69.5-29.4-178.700000113.4L24 I71 V72 N77 L84 V104L24-A75 HydrophobicContact CD2-CB 3.78Å; L24-A75 HydrophobicContact CG-CB 4.47Å; I71-A75 WeakPolarHBondContact O-CB 3.24Å; I71-A75 PolarHBondContact O-N 3.26Å; V72-A75 PolarHBondContact O-N 3.4Å; A75-N77 VanDerWaalsContact C-N 3.32Å; A75-L84 HydrophobicContact CB-CD2 3.83Å; A75-V104 HydrophobicContact CB-CG1 3.93Å; A75-V104 HydrophobicContact CB-CG2 3.99Å
76Q93.4Very high93.6Very high84 Ų8435.3 Ų35.339%0.39318%0.184SC..Hα-helixtrans-71.4-25.7174.9-80.2-173.9-21.700114L24 V72 D73 S74L24-Q76 HydrophobicContact CD1-CB 4.42Å; L24-Q76 HydrophobicContact CD1-CG 3.48Å; L24-Q76 VanDerWaalsContact CD1-CG 3.48Å; L24-Q76 HydrophobicContact CD2-CG 4.21Å; L24-Q76 HydrophobicContact CG-CG 4.45Å; V72-Q76 HydrophobicContact CG1-CG 4.47Å; V72-Q76 WeakPolarHBondContact O-CB 3.29Å; V72-Q76 WeakPolarHBondContact O-CG 3.45Å; V72-Q76 PolarHBondContact O-N 3.11Å; D73-Q76 PolarHBondContact O-N 3.25Å; S74-Q76 PolarHBondContact O-N 3.35Å
77N91.9Very high94Very high87 Ų8737.1 Ų37.147%0.46520%0.195SC..THydrogen-bonded Turntrans-101.314.2-176.7-69.8-77.3000112.9D73 S74 A75 F246D73-N77 PolarHBondContact O-N 2.8Å; D73-N77 PolarHBondContact O-ND2 3.34Å; S74-N77 PolarHBondContact O-N 3.2Å; A75-N77 VanDerWaalsContact C-N 3.32Å; N77-F246 HydrophobicContact CB-CB 3.51Å; N77-F246 HydrophobicContact CB-CD1 4.42Å; N77-F246 HydrophobicContact CB-CD2 4.19Å; N77-F246 HydrophobicContact CB-CG 3.82Å
78L91.8Very high94.2Very high22 Ų2235.8 Ų35.812%0.11519%0.189CC..SBendtrans-125.6146.8179.7-71.6172.6000110.5S74 V81 V104 A106 V113 F246 L248S74-L78 WeakPolarHBondContact O-CD1 3.38Å; S74-L78 VanDerWaalsContact O-CG 3.28Å; S74-L78 WeakPolarHBondContact O-CG 3.29Å; L78-V81 HydrophobicContact CB-CG2 4.35Å; L78-V104 HydrophobicContact CD1-CG1 4.23Å; L78-A106 HydrophobicContact CB-CB 3.8Å; L78-A106 HydrophobicContact CD1-CB 3.85Å; L78-A106 HydrophobicContact CG-CB 4.31Å; L78-V113 HydrophobicContact CD1-CG2 3.56Å; L78-F246 HydrophobicContact CD1-CE1 4.12Å; L78-F246 HydrophobicContact CD2-CD1 3.98Å; L78-F246 HydrophobicContact CD2-CE1 3.85Å; L78-F246 HydrophobicContact CG-CD1 4.27Å; L78-F246 HydrophobicContact CG-CE1 4Å; L78-L248 HydrophobicContact CD2-CD1 3.82Å
79E90.1Very high94.2Very high153 Ų15339 Ų3972%0.71521%0.211SC*.SBendtrans-92.2158.8177.5-63.8-179.1-178.100110.6V81 D107E79-V81 VanDerWaalsContact C-N 3.3Å; E79-V81 PolarHBondContact O-N 3.42Å; E79-V81 VanDerWaalsContact O-N 3.15Å; E79-D107 PolarHBondContact O-N 2.94Å; E79-D107 VanDerWaalsContact O-N 3.1Å
80D90.5Very high94.2Very high108 Ų10837.6 Ų37.658%0.57820%0.201SC*.SBendtrans46.748.6175.5-61.8-35.8000114.4V82 D107 V108D80-V82 WeakPolarHBondContact O-CG1 3.13Å; D80-V82 PolarHBondContact O-N 3.14Å; D80-D107 PolarHBondContact O-N 3.27Å; D80-V108 HydrophobicContact CB-CG2 4.1Å; D80-V108 PolarHBondContact O-N 3.41Å
81V94.9Very high94.3Very high15 Ų1545 Ų459%0.09123%0.229CC..  trans-63.7118.6174.6-176.40000109.3V28 L78 E79 L84 V104 A106V28-V81 HydrophobicContact CG1-CG1 4.28Å; V28-V81 WeakPolarHBondContact CG2-O 3.32Å; L78-V81 HydrophobicContact CB-CG2 4.35Å; E79-V81 VanDerWaalsContact C-N 3.3Å; E79-V81 PolarHBondContact O-N 3.42Å; E79-V81 VanDerWaalsContact O-N 3.15Å; V81-L84 HydrophobicContact CG1-CD2 4.06Å; V81-L84 HydrophobicContact CG1-CG 4.38Å; V81-V104 HydrophobicContact CG1-CG1 4.04Å; V81-V104 HydrophobicContact CG2-CG1 4.46Å; V81-A106 HydrophobicContact CG2-CB 4.3Å
82V95.1Very high94.2Very high65 Ų6546.1 Ų46.139%0.39424%0.235SC..  trans-105.7-23-176.6-64.90000113.6V28 D80 V105V28-V82 VanDerWaalsContact CG1-C 3.46Å; V28-V82 WeakPolarHBondContact CG1-O 3.49Å; D80-V82 WeakPolarHBondContact O-CG1 3.13Å; D80-V82 PolarHBondContact O-N 3.14Å; V82-V105 HydrophobicContact CG2-CB 3.96Å; V82-V105 HydrophobicContact CG2-CG1 3.47Å; V82-V105 VanDerWaalsContact CG2-CG1 3.47Å; V82-V105 WeakPolarHBondContact CG2-O 3.38Å; V82-V105 PolarHBondContact N-O 3.22Å
83A97.3Very high94Very high5 Ų551.4 Ų51.44%0.04128%0.279CS..EExtended strand (participates in β ladder)trans-157.3151.617500000112.8E29 H86 V105E29-A83 HydrophobicContact CB-CB 4.02Å; E29-A83 CarbonylContact O-C 3.44Å; E29-A83 WeakPolarHBondContact O-CA 3.39Å; A83-H86 HydrophobicContact CB-CB 3.85Å; A83-V105 HydrophobicContact CB-CB 4.08Å; A83-V105 HydrophobicContact CB-CG2 4.18Å; A83-V105 PolarHBondContact N-O 3.14Å; A83-V105 PolarHBondContact O-N 3.1Å
84L97.6Very high94Very high1 Ų153.1 Ų53.11%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-122138.9173.7-63.4169.3000109.3V28 E29 G30 L34 I71 A75 V81 H86 D103 V104V28-L84 HydrophobicContact CG1-CG 4.42Å; E29-L84 PolarHBondContact O-N 3.15Å; G30-L84 WeakPolarHBondContact CA-O 3.44Å; L34-L84 HydrophobicContact CD2-CD1 4Å; I71-L84 HydrophobicContact CG2-CD2 4.45Å; A75-L84 HydrophobicContact CB-CD2 3.83Å; V81-L84 HydrophobicContact CG1-CD2 4.06Å; V81-L84 HydrophobicContact CG1-CG 4.38Å; L84-H86 PolarHBondContact O-N 3.49Å; L84-H86 VanDerWaalsContact O-N 3.16Å; L84-D103 WeakPolarHBondContact CA-O 3.5Å; L84-V104 HydrophobicContact CD2-CB 4.35Å; L84-V104 HydrophobicContact CD2-CG1 4.08Å; L84-V104 HydrophobicContact CD2-CG2 3.97Å
85L97.2Very high93.8Very high3 Ų354.8 Ų54.82%0.01631%0.314CS..EExtended strand (participates in β ladder)trans52.337.2178.2-59.2172000113.4K33 L34 K37 I71 V102 D103K33-L85 HydrophobicContact CB-CD1 4.45Å; K33-L85 HydrophobicContact CD-CB 4.08Å; K33-L85 HydrophobicContact CD-CD1 4.28Å; K33-L85 HydrophobicContact CG-CD1 4.06Å; K33-L85 PolarHBondContact NZ-O 3.32Å; L34-L85 HydrophobicContact CB-CD1 4.16Å; L34-L85 HydrophobicContact CD1-CD1 4.46Å; K37-L85 HydrophobicContact CD-CD1 3.94Å; I71-L85 HydrophobicContact CD1-CD2 3.67Å; L85-V102 CarbonylContact C-O 3.5Å; L85-V102 VanDerWaalsContact CA-O 3.3Å; L85-V102 WeakPolarHBondContact CA-O 3.32Å; L85-V102 PolarHBondContact N-O 3.35Å; L85-D103 PolarHBondContact N-O 2.51Å
86H97.3Very high93.8Very high44 Ų4461.3 Ų61.320%0.20434%0.339CS..EExtended strand (participates in β ladder)trans-77.3142.2-175.6-169.978.8000111.1E29 A83 L84 F88 V101 V102 V105E29-H86 IonicContact OE1-CE1 3.65Å; E29-H86 PolarHBondContact OE1-CE1 3.3Å; E29-H86 IonicContact OE1-CG 3.65Å; E29-H86 IonicContact OE1-ND1 3.9Å; E29-H86 PolarHBondContact OE1-ND1 3.22Å; E29-H86 IonicContact OE2-CE1 3.08Å; E29-H86 PolarHBondContact OE2-CE1 2.97Å; E29-H86 IonicContact OE2-ND1 3.63Å; E29-H86 PolarHBondContact OE2-ND1 3.15Å; E29-H86 VanDerWaalsContact OE2-ND1 3.15Å; A83-H86 HydrophobicContact CB-CB 3.85Å; L84-H86 PolarHBondContact O-N 3.49Å; L84-H86 VanDerWaalsContact O-N 3.16Å; H86-F88 HydrophobicContact CB-CE2 4.33Å; H86-F88 AromaticContact CD2-CD2 3.66Å; H86-F88 AromaticContact CD2-CE1 3.73Å; H86-F88 AromaticContact CD2-CE2 3.39Å; H86-F88 WeakPolarHBondContact CD2-CE2 3.23Å; H86-F88 AromaticContact CD2-CG 3.98Å; H86-F88 AromaticContact CD2-CZ 3.42Å; H86-F88 VanDerWaalsContact CD2-CZ 3.42Å; H86-F88 WeakPolarHBondContact CD2-CZ 3.42Å; H86-F88 AromaticContact NE2-CE1 3.94Å; H86-V101 CarbonylContact O-C 3.56Å; H86-V101 WeakPolarHBondContact O-CA 3.4Å; H86-V102 PolarHBondContact N-O 3.45Å; H86-V102 PolarHBondContact O-N 2.76Å; H86-V105 HydrophobicContact CB-CG2 4.12Å
87V96.9Very high93.8Very high66 Ų6661.7 Ų61.740%0.435%0.35SS..EExtended strand (participates in β ladder)trans-103.2111.7-178.4-172.40000109.2T99 L100 V101V87-T99 HydrophobicContact CG1-CG2 4.32Å; V87-L100 WeakPolarHBondContact CA-O 3.42Å; V87-V101 HydrophobicContact CG2-CG2 4.29Å
88F95.3Very high94Very high19 Ų1962.7 Ų62.78%0.08335%0.347CS..EExtended strand (participates in β ladder)trans-92.7140.5172.2-72.2-81.5000110.4H86 T99 L100 V102 V105 W112 M152H86-F88 HydrophobicContact CB-CE2 4.33Å; H86-F88 AromaticContact CD2-CD2 3.66Å; H86-F88 AromaticContact CD2-CE1 3.73Å; H86-F88 AromaticContact CD2-CE2 3.39Å; H86-F88 WeakPolarHBondContact CD2-CE2 3.23Å; H86-F88 AromaticContact CD2-CG 3.98Å; H86-F88 AromaticContact CD2-CZ 3.42Å; H86-F88 VanDerWaalsContact CD2-CZ 3.42Å; H86-F88 WeakPolarHBondContact CD2-CZ 3.42Å; H86-F88 AromaticContact NE2-CE1 3.94Å; F88-T99 CarbonylContact O-C 3.44Å; F88-T99 WeakPolarHBondContact O-CA 3.36Å; F88-L100 HydrophobicContact CB-CD1 4.15Å; F88-L100 HydrophobicContact CD2-CD1 4.49Å; F88-L100 PolarHBondContact N-O 3.23Å; F88-L100 PolarHBondContact O-N 3.11Å; F88-V102 HydrophobicContact CD2-CB 3.98Å; F88-V102 HydrophobicContact CD2-CG2 3.4Å; F88-V102 HydrophobicContact CE2-CB 3.88Å; F88-V102 HydrophobicContact CE2-CG2 3.62Å; F88-V105 HydrophobicContact CE2-CG2 3.82Å; F88-V105 HydrophobicContact CZ-CG2 4.16Å; F88-W112 HydrophobicContact CB-CH2 4.29Å; F88-W112 AromaticContact CD1-CH2 3.65Å; F88-W112 HydrophobicContact CD1-CH2 3.65Å; F88-W112 AromaticContact CD1-CZ2 3.73Å; F88-W112 HydrophobicContact CD1-CZ2 3.73Å; F88-W112 HydrophobicContact CD2-CE3 4.42Å; F88-W112 AromaticContact CD2-CH2 3.88Å; F88-W112 HydrophobicContact CD2-CH2 3.88Å; F88-W112 HydrophobicContact CD2-CZ2 4.03Å; F88-W112 HydrophobicContact CD2-CZ3 4.09Å; F88-W112 AromaticContact CE1-CH2 3.86Å; F88-W112 HydrophobicContact CE1-CH2 3.86Å; F88-W112 AromaticContact CE1-CZ2 3.4Å; F88-W112 HydrophobicContact CE1-CZ2 3.4Å; F88-W112 VanDerWaalsContact CE1-CZ2 3.4Å; F88-W112 HydrophobicContact CE2-CD2 4.13Å; F88-W112 AromaticContact CE2-CE2 3.72Å; F88-W112 HydrophobicContact CE2-CE3 4.45Å; F88-W112 HydrophobicContact CE2-CH2 4.05Å; F88-W112 AromaticContact CE2-CZ2 3.7Å; F88-W112 HydrophobicContact CE2-CZ2 3.7Å; F88-W112 HydrophobicContact CE2-CZ3 4.41Å; F88-W112 AromaticContact CG-CH2 3.66Å; F88-W112 HydrophobicContact CG-CH2 3.66Å; F88-W112 HydrophobicContact CG-CZ2 4.03Å; F88-W112 HydrophobicContact CG-CZ3 4.15Å; F88-W112 HydrophobicContact CZ-CD2 4.47Å; F88-W112 AromaticContact CZ-CE2 3.61Å; F88-W112 HydrophobicContact CZ-CH2 4.05Å; F88-W112 AromaticContact CZ-CZ2 3.38Å; F88-W112 HydrophobicContact CZ-CZ2 3.38Å; F88-W112 AromaticContact CZ-NE1 3.89Å; F88-M152 HydrophobicContact CD1-CE 3.88Å; F88-M152 HydrophobicContact CD1-CG 4.16Å; F88-M152 HydrophobicContact CE1-CE 3.94Å
89S94.3Very high94.2Very high70 Ų7066 Ų6649%0.4937%0.368SS..EExtended strand (participates in β ladder)trans-104.1136.9169.6-56.20000109.4R98S89-R98 CarbonylContact C-O 3.55Å; S89-R98 VanDerWaalsContact CA-O 3.31Å; S89-R98 WeakPolarHBondContact CA-O 3.4Å
90Y93.9Very high94.5Very high13 Ų1359.3 Ų59.35%0.05134%0.338CS..EExtended strand (participates in β ladder)trans-145.5163.6179.873.4-79.8000110.6R98 L100 D144 L147 A148Y90-R98 HydrophobicContact CD1-CB 4.06Å; Y90-R98 HydrophobicContact CE1-CB 3.55Å; Y90-R98 HydrophobicContact CE2-CB 4.08Å; Y90-R98 PolarHBondContact N-O 2.7Å; Y90-R98 PolarHBondContact O-N 3.45Å; Y90-R98 VanDerWaalsContact O-O 3.14Å; Y90-L100 HydrophobicContact CD1-CD2 4.07Å; Y90-L100 HydrophobicContact CD1-CG 4.23Å; Y90-L100 HydrophobicContact CE1-CB 4.28Å; Y90-L100 HydrophobicContact CE1-CD2 3.74Å; Y90-L100 HydrophobicContact CE1-CG 4.07Å; Y90-D144 WeakPolarHBondContact OH-CB 3.15Å; Y90-D144 PolarHBondContact OH-OD2 3.49Å; Y90-D144 VanDerWaalsContact OH-OD2 3.11Å; Y90-L147 HydrophobicContact CD2-CD2 4.2Å; Y90-L147 HydrophobicContact CD2-CG 4.15Å; Y90-L147 HydrophobicContact CE2-CD2 3.99Å; Y90-L147 HydrophobicContact CE2-CG 4.32Å; Y90-A148 HydrophobicContact CD1-CB 3.83Å; Y90-A148 HydrophobicContact CD2-CB 4.25Å; Y90-A148 HydrophobicContact CG-CB 3.68Å
91R93.6Very high94.9Very high156 Ų15656.9 Ų56.959%0.58933%0.326SS*.EExtended strand (participates in β ladder)trans-96129.8173.2-65.5-177.1178.8-88.32.4110.3G95 R96 Q151R91-G95 PolarHBondContact NH1-O 2.86Å; R91-R96 WeakPolarHBondContact CA-O 3.21Å; R91-Q151 PolarHBondContact O-NE2 3.01Å
92D92.9Very high95Very high24 Ų2456.1 Ų56.113%0.12832%0.322CS..  trans-74.3178.6172.671.211.2000111.9A94 G95 R96 R98D92-A94 PolarHBondContact O-N 3.39Å; D92-A94 WeakPolarHBondContact OD1-CA 3.38Å; D92-A94 WeakPolarHBondContact OD1-CB 3.26Å; D92-A94 PolarHBondContact OD1-N 3.42Å; D92-G95 WeakPolarHBondContact O-CA 3.11Å; D92-G95 PolarHBondContact O-N 3.27Å; D92-G95 PolarHBondContact OD1-N 2.92Å; D92-R96 PolarHBondContact N-O 3.33Å; D92-R96 WeakPolarHBondContact OD1-CB 3.31Å; D92-R96 PolarHBondContact OD1-N 3.46Å; D92-R96 IonicContact OD1-NE 2.71Å; D92-R96 IonicContact OD2-CZ 2.66Å; D92-R96 IonicContact OD2-NE 3.23Å; D92-R96 PolarHBondContact OD2-NE 2.91Å; D92-R96 IonicContact OD2-NH2 2.56Å; D92-R96 PolarHBondContact OD2-NH2 2.71Å; D92-R98 HydrophobicContact CB-CG 3.86Å; D92-R98 IonicContact OD2-CZ 3.35Å; D92-R98 IonicContact OD2-NE 3.33Å; D92-R98 PolarHBondContact OD2-NE 3.28Å; D92-R98 VanDerWaalsContact OD2-NE 3.08Å; D92-R98 IonicContact OD2-NH2 3.15Å
93A89.3Confident95.2Very high110 Ų11053.2 Ų53.291%0.90930%0.304SS*.THydrogen-bonded Turntrans-59-26.217900000113.3G95A93-G95 VanDerWaalsContact C-N 3.27Å
94A93.1Very high95.2Very high70 Ų7053 Ų5358%0.57930%0.302SS*.THydrogen-bonded Turntrans-88.18.3175.200000112.7D92 R96D92-A94 PolarHBondContact O-N 3.39Å; D92-A94 WeakPolarHBondContact OD1-CA 3.38Å; D92-A94 WeakPolarHBondContact OD1-CB 3.26Å; D92-A94 PolarHBondContact OD1-N 3.42Å; A94-R96 HydrophobicContact CB-CG 4.27Å; A94-R96 PolarHBondContact O-N 2.79Å
95G89.8Confident95.1Very high34 Ų3453.1 Ų53.135%0.35130%0.303SS..SBendtrans75.42.9-179.600000114.9R91 D92 A93R91-G95 PolarHBondContact NH1-O 2.86Å; D92-G95 WeakPolarHBondContact O-CA 3.11Å; D92-G95 PolarHBondContact O-N 3.27Å; D92-G95 PolarHBondContact OD1-N 2.92Å; A93-G95 VanDerWaalsContact C-N 3.27Å
96R94.2Very high95Very high138 Ų13853 Ų5352%0.52130%0.302SS..  trans-76.7141.3-177.2-58.5174.8-63.7-160.2-4.8110.2R91 D92 A94 R98R91-R96 WeakPolarHBondContact CA-O 3.21Å; D92-R96 PolarHBondContact N-O 3.33Å; D92-R96 WeakPolarHBondContact OD1-CB 3.31Å; D92-R96 PolarHBondContact OD1-N 3.46Å; D92-R96 IonicContact OD1-NE 2.71Å; D92-R96 IonicContact OD2-CZ 2.66Å; D92-R96 IonicContact OD2-NE 3.23Å; D92-R96 PolarHBondContact OD2-NE 2.91Å; D92-R96 IonicContact OD2-NH2 2.56Å; D92-R96 PolarHBondContact OD2-NH2 2.71Å; A94-R96 HydrophobicContact CB-CG 4.27Å; A94-R96 PolarHBondContact O-N 2.79Å; R96-R98 VanDerWaalsContact CZ-NH2 3.27Å; R96-R98 PolarHBondContact O-N 2.75Å
97C93.9Very high94.7Very high92 Ų9252.3 Ų52.362%0.62230%0.3SS*.EExtended strand (participates in β ladder)trans-69.8122.4175.2-166.40000109.8
98R95.6Very high94.3Very high108 Ų10853.4 Ų53.441%0.40831%0.307SS..EExtended strand (participates in β ladder)trans-122.4159.9175.2-63.1-58.2-172.7168.93.3109.2S89 Y90 D92 R96S89-R98 CarbonylContact C-O 3.55Å; S89-R98 VanDerWaalsContact CA-O 3.31Å; S89-R98 WeakPolarHBondContact CA-O 3.4Å; Y90-R98 HydrophobicContact CD1-CB 4.06Å; Y90-R98 HydrophobicContact CE1-CB 3.55Å; Y90-R98 HydrophobicContact CE2-CB 4.08Å; Y90-R98 PolarHBondContact N-O 2.7Å; Y90-R98 PolarHBondContact O-N 3.45Å; Y90-R98 VanDerWaalsContact O-O 3.14Å; D92-R98 HydrophobicContact CB-CG 3.86Å; D92-R98 IonicContact OD2-CZ 3.35Å; D92-R98 IonicContact OD2-NE 3.33Å; D92-R98 PolarHBondContact OD2-NE 3.28Å; D92-R98 VanDerWaalsContact OD2-NE 3.08Å; D92-R98 IonicContact OD2-NH2 3.15Å; R96-R98 VanDerWaalsContact CZ-NH2 3.27Å; R96-R98 PolarHBondContact O-N 2.75Å
99T96.4Very high94.1Very high92 Ų9252.8 Ų52.856%0.56431%0.306SS*.EExtended strand (participates in β ladder)trans-126.2150174.258.60000110.5V87 F88V87-T99 HydrophobicContact CG1-CG2 4.32Å; F88-T99 CarbonylContact O-C 3.44Å; F88-T99 WeakPolarHBondContact O-CA 3.36Å
100L96.4Very high94Very high13 Ų1350.4 Ų50.47%0.06829%0.288CS..EExtended strand (participates in β ladder)trans-138.5153.7169.262.178.1000110.3V87 F88 Y90 V102 D144 F145 A148V87-L100 WeakPolarHBondContact CA-O 3.42Å; F88-L100 HydrophobicContact CB-CD1 4.15Å; F88-L100 HydrophobicContact CD2-CD1 4.49Å; F88-L100 PolarHBondContact N-O 3.23Å; F88-L100 PolarHBondContact O-N 3.11Å; Y90-L100 HydrophobicContact CD1-CD2 4.07Å; Y90-L100 HydrophobicContact CD1-CG 4.23Å; Y90-L100 HydrophobicContact CE1-CB 4.28Å; Y90-L100 HydrophobicContact CE1-CD2 3.74Å; Y90-L100 HydrophobicContact CE1-CG 4.07Å; L100-V102 HydrophobicContact CD1-CG2 3.57Å; L100-D144 HydrophobicContact CD2-CB 4.2Å; L100-F145 HydrophobicContact CB-CE2 4.35Å; L100-F145 HydrophobicContact CD1-CD2 4.31Å; L100-F145 HydrophobicContact CD1-CE1 4.29Å; L100-F145 HydrophobicContact CD1-CE2 4.01Å; L100-F145 HydrophobicContact CD1-CZ 3.98Å; L100-F145 HydrophobicContact CD2-CD2 3.79Å; L100-F145 HydrophobicContact CD2-CE2 4.11Å; L100-F145 HydrophobicContact CD2-CG 4.24Å; L100-F145 HydrophobicContact CG-CE2 4.41Å; L100-A148 HydrophobicContact CD2-CB 3.59Å; L100-A148 HydrophobicContact CG-CB 4.31Å
101V97.3Very high94Very high56 Ų5649.8 Ų49.834%0.33929%0.285SS..EExtended strand (participates in β ladder)trans-102.8115.8177.7-174.40000108.8H86 V87 F145H86-V101 CarbonylContact O-C 3.56Å; H86-V101 WeakPolarHBondContact O-CA 3.4Å; V87-V101 HydrophobicContact CG2-CG2 4.29Å; V101-F145 WeakPolarHBondContact O-CZ 3.32Å
102V98.1Very high94.2Very high0 Ų042.5 Ų42.50%026%0.258CS..EExtended strand (participates in β ladder)trans-88.5127.4168.6178.30000107.7L85 H86 F88 L100 V104 V105 W112 F145L85-V102 CarbonylContact C-O 3.5Å; L85-V102 VanDerWaalsContact CA-O 3.3Å; L85-V102 WeakPolarHBondContact CA-O 3.32Å; L85-V102 PolarHBondContact N-O 3.35Å; H86-V102 PolarHBondContact N-O 3.45Å; H86-V102 PolarHBondContact O-N 2.76Å; F88-V102 HydrophobicContact CD2-CB 3.98Å; F88-V102 HydrophobicContact CD2-CG2 3.4Å; F88-V102 HydrophobicContact CE2-CB 3.88Å; F88-V102 HydrophobicContact CE2-CG2 3.62Å; L100-V102 HydrophobicContact CD1-CG2 3.57Å; V102-V104 VanDerWaalsContact CG1-O 3.3Å; V102-V104 WeakPolarHBondContact CG1-O 3.22Å; V102-V105 HydrophobicContact CB-CG2 4.09Å; V102-V105 HydrophobicContact CG1-CG2 3.65Å; V102-W112 HydrophobicContact CG1-CB 3.73Å; V102-W112 HydrophobicContact CG1-CG 4.02Å; V102-W112 HydrophobicContact CG2-CB 4.29Å; V102-W112 HydrophobicContact CG2-CD2 3.87Å; V102-W112 HydrophobicContact CG2-CE3 3.58Å; V102-W112 HydrophobicContact CG2-CG 4.19Å; V102-W112 HydrophobicContact CG2-CZ3 4.2Å; V102-F145 HydrophobicContact CB-CE1 4.39Å; V102-F145 HydrophobicContact CG2-CD1 4.34Å; V102-F145 HydrophobicContact CG2-CE1 3.68Å; V102-F145 HydrophobicContact CG2-CZ 4.2Å
103D98Very high94.4Very high3 Ų341.3 Ų41.32%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-78.5-39.5-170.3-63.6-48.6000111.7H67 I71 L84 L85 V113 K114 A115H67-D103 IonicContact CE1-OD1 3.6Å; H67-D103 IonicContact CE1-OD2 3.57Å; H67-D103 IonicContact NE2-OD1 2.76Å; I71-D103 HydrophobicContact CD1-CB 4.4Å; I71-D103 HydrophobicContact CG1-CB 4.04Å; L84-D103 WeakPolarHBondContact CA-O 3.5Å; L85-D103 PolarHBondContact N-O 2.51Å; D103-V113 WeakPolarHBondContact CB-O 3.46Å; D103-V113 PolarHBondContact N-O 3.22Å; D103-K114 IonicContact OD1-NZ 2.91Å; D103-K114 PolarHBondContact OD1-NZ 2.86Å; D103-K114 WeakPolarHBondContact OD2-CA 3.31Å; D103-K114 WeakPolarHBondContact OD2-CD 3.37Å; D103-K114 WeakPolarHBondContact OD2-CE 3.33Å; D103-K114 IonicContact OD2-NZ 3.35Å; D103-K114 PolarHBondContact OD2-NZ 3.07Å; D103-A115 HydrophobicContact CB-CB 4Å; D103-A115 PolarHBondContact OD2-N 2.87Å
104V97.6Very high94.8Very high0 Ų037.6 Ų37.60%022%0.215CC..EExtended strand (participates in β ladder)trans-135.6130.5172.2-173.90000109.6I71 A75 L78 V81 L84 V102 V113I71-V104 HydrophobicContact CG2-CG2 3.99Å; A75-V104 HydrophobicContact CB-CG1 3.93Å; A75-V104 HydrophobicContact CB-CG2 3.99Å; L78-V104 HydrophobicContact CD1-CG1 4.23Å; V81-V104 HydrophobicContact CG1-CG1 4.04Å; V81-V104 HydrophobicContact CG2-CG1 4.46Å; L84-V104 HydrophobicContact CD2-CB 4.35Å; L84-V104 HydrophobicContact CD2-CG1 4.08Å; L84-V104 HydrophobicContact CD2-CG2 3.97Å; V102-V104 VanDerWaalsContact CG1-O 3.3Å; V102-V104 WeakPolarHBondContact CG1-O 3.22Å; V104-V113 HydrophobicContact CB-CB 4.01Å; V104-V113 HydrophobicContact CB-CG2 4.19Å; V104-V113 PolarHBondContact N-O 3.25Å; V104-V113 PolarHBondContact O-N 2.89Å
105V97.1Very high94.9Very high4 Ų434.4 Ų34.42%0.02419%0.188CC..EExtended strand (participates in β ladder)trans-113.8116172.6-174.10000107.7V82 A83 H86 F88 V102 T111V82-V105 HydrophobicContact CG2-CB 3.96Å; V82-V105 HydrophobicContact CG2-CG1 3.47Å; V82-V105 VanDerWaalsContact CG2-CG1 3.47Å; V82-V105 WeakPolarHBondContact CG2-O 3.38Å; V82-V105 PolarHBondContact N-O 3.22Å; A83-V105 HydrophobicContact CB-CB 4.08Å; A83-V105 HydrophobicContact CB-CG2 4.18Å; A83-V105 PolarHBondContact N-O 3.14Å; A83-V105 PolarHBondContact O-N 3.1Å; H86-V105 HydrophobicContact CB-CG2 4.12Å; F88-V105 HydrophobicContact CE2-CG2 3.82Å; F88-V105 HydrophobicContact CZ-CG2 4.16Å; V102-V105 HydrophobicContact CB-CG2 4.09Å; V102-V105 HydrophobicContact CG1-CG2 3.65Å; V105-T111 WeakPolarHBondContact CA-O 3.3Å
106A94.2Very high95.1Very high0 Ų033.2 Ų33.20%017%0.174CC..EExtended strand (participates in β ladder)trans-131.1-179.9-172.700000111.9L78 V81 V108 G109 L110 T111L78-A106 HydrophobicContact CB-CB 3.8Å; L78-A106 HydrophobicContact CD1-CB 3.85Å; L78-A106 HydrophobicContact CG-CB 4.31Å; V81-A106 HydrophobicContact CG2-CB 4.3Å; A106-V108 VanDerWaalsContact C-N 3.32Å; A106-V108 PolarHBondContact O-N 2.77Å; A106-G109 CarbonylContact O-C 3.09Å; A106-G109 WeakPolarHBondContact O-CA 3.5Å; A106-G109 PolarHBondContact O-N 2.98Å; A106-L110 PolarHBondContact O-N 3.47Å; A106-T111 PolarHBondContact N-O 3.25Å; A106-T111 PolarHBondContact O-N 3.35Å
107D90.9Very high94.8Very high30 Ų3027.5 Ų27.516%0.1616%0.158CC..G310 helixtrans52.149.3-179.5-52.3-37.3000111.6E79 D80 G109 L110 T111 R160 L251E79-D107 PolarHBondContact O-N 2.94Å; E79-D107 VanDerWaalsContact O-N 3.1Å; D80-D107 PolarHBondContact O-N 3.27Å; D107-G109 PolarHBondContact O-N 3.17Å; D107-G109 VanDerWaalsContact O-N 3.08Å; D107-L110 HydrophobicContact CB-CB 4.3Å; D107-L110 WeakPolarHBondContact O-CB 3.23Å; D107-L110 PolarHBondContact O-N 3.15Å; D107-T111 WeakPolarHBondContact OD2-CB 3.39Å; D107-T111 PolarHBondContact OD2-OG1 3.16Å; D107-R160 IonicContact OD2-NH2 3.81Å; D107-L251 HydrophobicContact CB-CD1 3.44Å; D107-L251 VanDerWaalsContact CB-CD1 3.44Å
108V87.6Confident94.6Very high89 Ų8927.4 Ų27.454%0.53915%0.145SC..G310 helixtrans58.925.4-178.2-158.50000112.9D80 A106D80-V108 HydrophobicContact CB-CG2 4.1Å; D80-V108 PolarHBondContact O-N 3.41Å; A106-V108 VanDerWaalsContact C-N 3.32Å; A106-V108 PolarHBondContact O-N 2.77Å
109G91.3Very high94.4Very high7 Ų726.9 Ų26.97%0.07215%0.146CC..G310 helixtrans97.2-1.6-178.800000115.3A106 D107 W112 P159A106-G109 CarbonylContact O-C 3.09Å; A106-G109 WeakPolarHBondContact O-CA 3.5Å; A106-G109 PolarHBondContact O-N 2.98Å; D107-G109 PolarHBondContact O-N 3.17Å; D107-G109 VanDerWaalsContact O-N 3.08Å; G109-W112 PolarHBondContact O-NE1 3.4Å; G109-P159 WeakPolarHBondContact O-CG 3.41Å
110L92.2Very high94.2Very high19 Ų1922.6 Ų22.610%0.09912%0.119CC..THydrogen-bonded Turntrans-85.2-7.1-179.3-69.6170000114.3A106 D107 V154 R157 P159 R160 L251A106-L110 PolarHBondContact O-N 3.47Å; D107-L110 HydrophobicContact CB-CB 4.3Å; D107-L110 WeakPolarHBondContact O-CB 3.23Å; D107-L110 PolarHBondContact O-N 3.15Å; L110-V154 HydrophobicContact CD2-CB 3.8Å; L110-V154 HydrophobicContact CD2-CG1 4.3Å; L110-V154 HydrophobicContact CG-CB 4.28Å; L110-V154 HydrophobicContact CG-CG1 4.35Å; L110-R157 HydrophobicContact CD2-CB 3.66Å; L110-P159 CarbonylContact O-C 3.53Å; L110-P159 VanDerWaalsContact O-CA 3.26Å; L110-P159 WeakPolarHBondContact O-CA 3.49Å; L110-R160 PolarHBondContact O-N 2.95Å; L110-L251 HydrophobicContact CB-CD1 3.52Å; L110-L251 HydrophobicContact CB-CD2 4.46Å; L110-L251 HydrophobicContact CD1-CD1 4.15Å; L110-L251 HydrophobicContact CG-CD1 4.49Å
111T94.9Very high94Very high0 Ų025 Ų250%013%0.13CC..EExtended strand (participates in β ladder)trans-125.3124.4171.9-710000110.4V105 A106 D107 V113 R160 V162 L248V105-T111 WeakPolarHBondContact CA-O 3.3Å; A106-T111 PolarHBondContact N-O 3.25Å; A106-T111 PolarHBondContact O-N 3.35Å; D107-T111 WeakPolarHBondContact OD2-CB 3.39Å; D107-T111 PolarHBondContact OD2-OG1 3.16Å; T111-V113 HydrophobicContact CG2-CG2 4.08Å; T111-R160 PolarHBondContact OG1-NE 3.03Å; T111-R160 PolarHBondContact OG1-NH2 3.48Å; T111-R160 VanDerWaalsContact OG1-NH2 3.11Å; T111-V162 HydrophobicContact CG2-CG2 3.81Å; T111-L248 HydrophobicContact CG2-CD1 3.8Å
112W97.3Very high93.7Very high3 Ų324.5 Ų24.51%0.01113%0.132CC..EExtended strand (participates in β ladder)trans-113.4120.3176-69.810.7000109.4F88 V102 G109 A148 M152 P159 R160 I161 V162F88-W112 HydrophobicContact CB-CH2 4.29Å; F88-W112 AromaticContact CD1-CH2 3.65Å; F88-W112 HydrophobicContact CD1-CH2 3.65Å; F88-W112 AromaticContact CD1-CZ2 3.73Å; F88-W112 HydrophobicContact CD1-CZ2 3.73Å; F88-W112 HydrophobicContact CD2-CE3 4.42Å; F88-W112 AromaticContact CD2-CH2 3.88Å; F88-W112 HydrophobicContact CD2-CH2 3.88Å; F88-W112 HydrophobicContact CD2-CZ2 4.03Å; F88-W112 HydrophobicContact CD2-CZ3 4.09Å; F88-W112 AromaticContact CE1-CH2 3.86Å; F88-W112 HydrophobicContact CE1-CH2 3.86Å; F88-W112 AromaticContact CE1-CZ2 3.4Å; F88-W112 HydrophobicContact CE1-CZ2 3.4Å; F88-W112 VanDerWaalsContact CE1-CZ2 3.4Å; F88-W112 HydrophobicContact CE2-CD2 4.13Å; F88-W112 AromaticContact CE2-CE2 3.72Å; F88-W112 HydrophobicContact CE2-CE3 4.45Å; F88-W112 HydrophobicContact CE2-CH2 4.05Å; F88-W112 AromaticContact CE2-CZ2 3.7Å; F88-W112 HydrophobicContact CE2-CZ2 3.7Å; F88-W112 HydrophobicContact CE2-CZ3 4.41Å; F88-W112 AromaticContact CG-CH2 3.66Å; F88-W112 HydrophobicContact CG-CH2 3.66Å; F88-W112 HydrophobicContact CG-CZ2 4.03Å; F88-W112 HydrophobicContact CG-CZ3 4.15Å; F88-W112 HydrophobicContact CZ-CD2 4.47Å; F88-W112 AromaticContact CZ-CE2 3.61Å; F88-W112 HydrophobicContact CZ-CH2 4.05Å; F88-W112 AromaticContact CZ-CZ2 3.38Å; F88-W112 HydrophobicContact CZ-CZ2 3.38Å; F88-W112 AromaticContact CZ-NE1 3.89Å; V102-W112 HydrophobicContact CG1-CB 3.73Å; V102-W112 HydrophobicContact CG1-CG 4.02Å; V102-W112 HydrophobicContact CG2-CB 4.29Å; V102-W112 HydrophobicContact CG2-CD2 3.87Å; V102-W112 HydrophobicContact CG2-CE3 3.58Å; V102-W112 HydrophobicContact CG2-CG 4.19Å; V102-W112 HydrophobicContact CG2-CZ3 4.2Å; G109-W112 PolarHBondContact O-NE1 3.4Å; W112-A148 HydrophobicContact CZ3-CB 4.06Å; W112-M152 HydrophobicContact CH2-CB 3.83Å; W112-M152 HydrophobicContact CH2-CG 4.1Å; W112-M152 HydrophobicContact CZ2-CB 3.87Å; W112-M152 HydrophobicContact CZ2-CG 4.47Å; W112-P159 HydrophobicContact CD2-CB 3.89Å; W112-P159 HydrophobicContact CD2-CG 4.26Å; W112-P159 HydrophobicContact CG-CB 3.8Å; W112-P159 HydrophobicContact CZ2-CB 4.37Å; W112-P159 HydrophobicContact CZ2-CG 3.82Å; W112-R160 PolarHBondContact N-O 3.34Å; W112-I161 HydrophobicContact CB-CD1 3.79Å; W112-I161 HydrophobicContact CD2-CD1 4.22Å; W112-I161 HydrophobicContact CE3-CD1 3.84Å; W112-I161 HydrophobicContact CG-CD1 4.26Å; W112-V162 PolarHBondContact O-N 2.84Å
113V97.6Very high93.5Very high0 Ų024.5 Ų24.50%013%0.132CC..EExtended strand (participates in β ladder)trans-105.5130179.5-169.30000110.7L78 D103 V104 T111 V162 A164L78-V113 HydrophobicContact CD1-CG2 3.56Å; D103-V113 WeakPolarHBondContact CB-O 3.46Å; D103-V113 PolarHBondContact N-O 3.22Å; V104-V113 HydrophobicContact CB-CB 4.01Å; V104-V113 HydrophobicContact CB-CG2 4.19Å; V104-V113 PolarHBondContact N-O 3.25Å; V104-V113 PolarHBondContact O-N 2.89Å; T111-V113 HydrophobicContact CG2-CG2 4.08Å; V113-V162 CarbonylContact C-O 3.51Å; V113-V162 WeakPolarHBondContact CA-O 3.38Å; V113-V162 HydrophobicContact CG1-CB 4.48Å; V113-V162 HydrophobicContact CG2-CB 4.24Å; V113-A164 HydrophobicContact CG1-CB 3.98Å
114K97.6Very high93.3Very high32 Ų3224.6 Ų24.614%0.13913%0.132CC..EExtended strand (participates in β ladder)trans-100.3115162.6-175.475-155.7142.90108.9D103 V116 F145 V162 F163 A164D103-K114 IonicContact OD1-NZ 2.91Å; D103-K114 PolarHBondContact OD1-NZ 2.86Å; D103-K114 WeakPolarHBondContact OD2-CA 3.31Å; D103-K114 WeakPolarHBondContact OD2-CD 3.37Å; D103-K114 WeakPolarHBondContact OD2-CE 3.33Å; D103-K114 IonicContact OD2-NZ 3.35Å; D103-K114 PolarHBondContact OD2-NZ 3.07Å; K114-V116 HydrophobicContact CG-CG2 4.11Å; K114-F145 HydrophobicContact CB-CE1 3.99Å; K114-F145 HydrophobicContact CB-CZ 4.02Å; K114-F145 HydrophobicContact CD-CE1 4.25Å; K114-F145 HydrophobicContact CD-CE2 3.9Å; K114-F145 HydrophobicContact CD-CZ 3.45Å; K114-F145 VanDerWaalsContact CD-CZ 3.45Å; K114-F145 HydrophobicContact CG-CZ 4.21Å; K114-V162 PolarHBondContact N-O 2.94Å; K114-F163 HydrophobicContact CB-CD1 3.78Å; K114-F163 HydrophobicContact CB-CD2 4.37Å; K114-F163 HydrophobicContact CB-CE1 3.71Å; K114-F163 HydrophobicContact CB-CE2 4.33Å; K114-F163 HydrophobicContact CB-CG 4.1Å; K114-F163 HydrophobicContact CB-CZ 4Å; K114-F163 HydrophobicContact CG-CD2 4.38Å; K114-F163 HydrophobicContact CG-CE1 4.32Å; K114-F163 HydrophobicContact CG-CE2 4.13Å; K114-F163 HydrophobicContact CG-CZ 4.08Å; K114-A164 PolarHBondContact O-N 2.66Å
115A95.1Very high93.1Very high2 Ų226.9 Ų26.92%0.01715%0.145CC..EExtended strand (participates in β ladder)trans-84.7115176.200000109.8H67 A70 I71 D103H67-A115 PolarHBondContact CE1-O 3.28Å; H67-A115 VanDerWaalsContact CE1-O 3.25Å; H67-A115 PolarHBondContact ND1-O 2.83Å; A70-A115 HydrophobicContact CB-CB 3.74Å; I71-A115 HydrophobicContact CG1-CB 3.72Å; D103-A115 HydrophobicContact CB-CB 4Å; D103-A115 PolarHBondContact OD2-N 2.87Å
116V93.9Very high92.9Very high9 Ų928 Ų286%0.05515%0.15CC..EExtended strand (participates in β ladder)trans-108.1104.5-176.9-172.80000109.9K114 R118 L123 F163 A164 F165 Y166K114-V116 HydrophobicContact CG-CG2 4.11Å; V116-R118 HydrophobicContact CG1-CB 4.42Å; V116-L123 HydrophobicContact CG1-CD1 3.67Å; V116-L123 HydrophobicContact CG1-CD2 4.36Å; V116-F163 HydrophobicContact CG2-CD2 4.24Å; V116-A164 PolarHBondContact N-O 3.23Å; V116-F165 HydrophobicContact CB-CD1 3.7Å; V116-F165 HydrophobicContact CB-CE1 3.98Å; V116-F165 HydrophobicContact CB-CG 4.34Å; V116-F165 HydrophobicContact CG1-CD1 3.71Å; V116-F165 HydrophobicContact CG1-CE1 3.85Å; V116-F165 HydrophobicContact CG2-CD1 4.18Å; V116-F165 HydrophobicContact CG2-CE1 3.99Å; V116-F165 HydrophobicContact CG2-CZ 4.45Å; V116-Y166 PolarHBondContact O-N 3.21Å; V116-Y166 VanDerWaalsContact O-N 3.1Å
117G88.8Confident92.9Very high18 Ų1831.8 Ų31.819%0.18616%0.164CC..  trans-91-3.2177.200000114.8N167G117-N167 PolarHBondContact O-ND2 2.96Å
118R89.5Confident92.9Very high90 Ų9033.5 Ų33.534%0.3417%0.171SC..SBendtrans-75.3149.3179.5-72.8-174.3-83.9174.1-0.4110.9V116 L123V116-R118 HydrophobicContact CG1-CB 4.42Å; R118-L123 HydrophobicContact CB-CD1 4.19Å; R118-L123 HydrophobicContact CB-CD2 3.48Å; R118-L123 VanDerWaalsContact CB-CD2 3.48Å; R118-L123 HydrophobicContact CB-CG 3.82Å; R118-L123 HydrophobicContact CG-CD2 4.27Å
119K90.4Very high93.1Very high98 Ų9832.5 Ų32.543%0.42618%0.18SC..  trans-68.6140.5179.4-67.3172.8176.9175.50111.3E121 A122 L123 N167K119-E121 PolarHBondContact O-N 2.79Å; K119-E121 VanDerWaalsContact O-N 3.15Å; K119-A122 PolarHBondContact O-N 3.25Å; K119-A122 VanDerWaalsContact O-N 3.12Å; K119-L123 WeakPolarHBondContact O-CG 3.29Å; K119-L123 PolarHBondContact O-N 3.24Å; K119-L123 VanDerWaalsContact O-N 3.1Å; K119-N167 HydrophobicContact CG-CB 4.44Å
120A92Very high93Very high2 Ų236.9 Ų36.92%0.01719%0.194CC..Hα-helixtrans-47.5-44.5179.500000113.9L123 H124 N167 G168 V189 V235A120-L123 PolarHBondContact O-N 3.08Å; A120-H124 WeakPolarHBondContact O-CB 3.39Å; A120-H124 PolarHBondContact O-N 3.04Å; A120-N167 PolarHBondContact N-O 2.83Å; A120-G168 WeakPolarHBondContact CB-O 3.31Å; A120-V189 HydrophobicContact CB-CG2 3.7Å; A120-V235 HydrophobicContact CB-CG1 4.05Å
121E92.1Very high92.7Very high62 Ų6237.6 Ų37.629%0.2921%0.206SC..Hα-helixtrans-63.1-48.4-179.9-172.1-175.5155.100113K119 L123 H124 N125 V235 R237K119-E121 PolarHBondContact O-N 2.79Å; K119-E121 VanDerWaalsContact O-N 3.15Å; E121-L123 VanDerWaalsContact C-N 3.26Å; E121-L123 PolarHBondContact O-N 3.48Å; E121-H124 PolarHBondContact O-N 3.34Å; E121-H124 VanDerWaalsContact O-N 3.15Å; E121-N125 VanDerWaalsContact O-CG 3.27Å; E121-N125 PolarHBondContact O-N 2.76Å; E121-N125 PolarHBondContact O-OD1 3.22Å; E121-V235 HydrophobicContact CB-CB 4.13Å; E121-V235 HydrophobicContact CB-CG2 4.4Å; E121-V235 HydrophobicContact CG-CB 4.38Å; E121-R237 IonicContact OE2-CZ 3.96Å; E121-R237 IonicContact OE2-NE 3.12Å; E121-R237 PolarHBondContact OE2-NE 2.94Å; E121-R237 IonicContact OE2-NH2 3.41Å; E121-R237 PolarHBondContact OE2-NH2 3.25Å
122A91Very high92.4Very high46 Ų4645.2 Ų45.238%0.3824%0.242SC..Hα-helixtrans-61.9-38.7177.400000111.2K119 I126K119-A122 PolarHBondContact O-N 3.25Å; K119-A122 VanDerWaalsContact O-N 3.12Å; A122-I126 WeakPolarHBondContact O-CD1 3.36Å; A122-I126 VanDerWaalsContact O-CG1 3.24Å; A122-I126 WeakPolarHBondContact O-CG1 3.27Å; A122-I126 PolarHBondContact O-N 3.1Å
123L93.6Very high91.7Very high1 Ų156.7 Ų56.71%0.00529%0.287CS..Hα-helixtrans-65.9-39.9176.1-63.5176.6000112.2V116 R118 K119 A120 E121 W127 V138 F165 M173V116-L123 HydrophobicContact CG1-CD1 3.67Å; V116-L123 HydrophobicContact CG1-CD2 4.36Å; R118-L123 HydrophobicContact CB-CD1 4.19Å; R118-L123 HydrophobicContact CB-CD2 3.48Å; R118-L123 VanDerWaalsContact CB-CD2 3.48Å; R118-L123 HydrophobicContact CB-CG 3.82Å; R118-L123 HydrophobicContact CG-CD2 4.27Å; K119-L123 WeakPolarHBondContact O-CG 3.29Å; K119-L123 PolarHBondContact O-N 3.24Å; K119-L123 VanDerWaalsContact O-N 3.1Å; A120-L123 PolarHBondContact O-N 3.08Å; E121-L123 VanDerWaalsContact C-N 3.26Å; E121-L123 PolarHBondContact O-N 3.48Å; L123-W127 PolarHBondContact O-N 3.36Å; L123-W127 VanDerWaalsContact O-N 3.12Å; L123-V138 HydrophobicContact CB-CG2 4.29Å; L123-V138 HydrophobicContact CD1-CG2 4.23Å; L123-V138 HydrophobicContact CD2-CG2 3.4Å; L123-V138 HydrophobicContact CG-CG2 4.16Å; L123-F165 HydrophobicContact CD1-CD1 3.87Å; L123-F165 HydrophobicContact CD1-CE1 3.86Å; L123-M173 HydrophobicContact CB-CE 3.47Å; L123-M173 VanDerWaalsContact CB-CE 3.47Å; L123-M173 HydrophobicContact CB-SD 4.24Å; L123-M173 HydrophobicContact CD1-CE 4.31Å
124H94.4Very high91.1Very high4 Ų460 Ų602%0.01932%0.321CS..Hα-helixtrans-67.9-46.9179.2-170.461.5000111.5A120 E121 I126 W127 Q128 S170 T233 V235A120-H124 WeakPolarHBondContact O-CB 3.39Å; A120-H124 PolarHBondContact O-N 3.04Å; E121-H124 PolarHBondContact O-N 3.34Å; E121-H124 VanDerWaalsContact O-N 3.15Å; H124-I126 VanDerWaalsContact C-N 3.34Å; H124-I126 PolarHBondContact O-N 3.18Å; H124-W127 AromaticContact ND1-CE3 3.72Å; H124-W127 WeakPolarHBondContact O-CA 3.21Å; H124-W127 WeakPolarHBondContact O-CB 3.43Å; H124-W127 PolarHBondContact O-N 2.93Å; H124-Q128 WeakPolarHBondContact O-CG 3.45Å; H124-Q128 PolarHBondContact O-N 3.01Å; H124-S170 PolarHBondContact ND1-OG 2.9Å; H124-T233 PolarHBondContact NE2-OG1 2.71Å; H124-V235 HydrophobicContact CB-CG2 3.58Å
125N92.8Very high90.5Very high49 Ų4961.7 Ų61.726%0.26233%0.331SS..Hα-helixtrans-58.1-45.8177.7-67-3000111.5E121 W127 Q128 G129 R130E121-N125 VanDerWaalsContact O-CG 3.27Å; E121-N125 PolarHBondContact O-N 2.76Å; E121-N125 PolarHBondContact O-OD1 3.22Å; N125-W127 VanDerWaalsContact C-N 3.28Å; N125-W127 PolarHBondContact O-N 3.08Å; N125-Q128 PolarHBondContact O-N 3.07Å; N125-G129 PolarHBondContact O-N 3.2Å; N125-R130 HydrophobicContact CB-CB 4.23Å; N125-R130 CarbonylContact O-C 3.58Å; N125-R130 WeakPolarHBondContact O-CA 3.29Å; N125-R130 WeakPolarHBondContact O-CB 3.36Å; N125-R130 PolarHBondContact O-N 3.02Å
126I93.4Very high90.3Very high26 Ų2665.2 Ų65.213%0.13335%0.346CS..Hα-helixtrans-60-40.3175.4-68166.4000111.1A122 H124 Q128 G129 D135A122-I126 WeakPolarHBondContact O-CD1 3.36Å; A122-I126 VanDerWaalsContact O-CG1 3.24Å; A122-I126 WeakPolarHBondContact O-CG1 3.27Å; A122-I126 PolarHBondContact O-N 3.1Å; H124-I126 VanDerWaalsContact C-N 3.34Å; H124-I126 PolarHBondContact O-N 3.18Å; I126-Q128 VanDerWaalsContact C-N 3.3Å; I126-Q128 PolarHBondContact O-N 3.49Å; I126-G129 PolarHBondContact O-N 3.3Å; I126-D135 HydrophobicContact CD1-CB 4.25Å; I126-D135 HydrophobicContact CG1-CB 4.19Å; I126-D135 HydrophobicContact CG2-CB 3.85Å
127W93.8Very high90.3Very high80 Ų8065.4 Ų65.430%0.30335%0.348SS..Hα-helixtrans-67.6-31.6179.2178.737.6000112.6L123 H124 N125 G129 V139 P172 M173 R176L123-W127 PolarHBondContact O-N 3.36Å; L123-W127 VanDerWaalsContact O-N 3.12Å; H124-W127 AromaticContact ND1-CE3 3.72Å; H124-W127 WeakPolarHBondContact O-CA 3.21Å; H124-W127 WeakPolarHBondContact O-CB 3.43Å; H124-W127 PolarHBondContact O-N 2.93Å; N125-W127 VanDerWaalsContact C-N 3.28Å; N125-W127 PolarHBondContact O-N 3.08Å; W127-G129 PolarHBondContact O-N 3.49Å; W127-V139 HydrophobicContact CD2-CG2 4.3Å; W127-V139 HydrophobicContact CG-CG2 4.18Å; W127-P172 HydrophobicContact CH2-CB 4.13Å; W127-P172 HydrophobicContact CZ3-CB 4Å; W127-M173 HydrophobicContact CB-SD 4.39Å; W127-M173 HydrophobicContact CE3-CB 3.74Å; W127-M173 HydrophobicContact CE3-CG 4.15Å; W127-M173 HydrophobicContact CE3-SD 4.38Å; W127-M173 HydrophobicContact CH2-CB 4.49Å; W127-M173 HydrophobicContact CZ3-CB 3.72Å; W127-R176 HydrophobicContact CH2-CB 4.17Å; W127-R176 HydrophobicContact CZ2-CB 3.94Å; W127-R176 HydrophobicContact CZ2-CG 3.97Å
128Q91.9Very high90.6Very high66 Ų6664.6 Ų64.631%0.30834%0.339SS..THydrogen-bonded Turntrans-80.59.6174.1-64.2-167.2-55.600114.4H124 N125 I126 R130 T233H124-Q128 WeakPolarHBondContact O-CG 3.45Å; H124-Q128 PolarHBondContact O-N 3.01Å; N125-Q128 PolarHBondContact O-N 3.07Å; I126-Q128 VanDerWaalsContact C-N 3.3Å; I126-Q128 PolarHBondContact O-N 3.49Å; Q128-R130 HydrophobicContact CB-CG 4.43Å; Q128-R130 PolarHBondContact O-N 3.35Å; Q128-T233 PolarHBondContact NE2-OG1 3.24Å; Q128-T233 PolarHBondContact OE1-OG1 3.06Å; Q128-T233 VanDerWaalsContact OE1-OG1 3.08Å
129G90.6Very high90.8Very high69 Ų6960.6 Ų60.671%0.71133%0.325SS*.THydrogen-bonded Turntrans80.5-0.1-178.200000114.5N125 I126 W127 G131N125-G129 PolarHBondContact O-N 3.2Å; I126-G129 PolarHBondContact O-N 3.3Å; W127-G129 PolarHBondContact O-N 3.49Å; G129-G131 PolarHBondContact O-N 3.47Å
130R90.4Very high91Very high98 Ų9863.7 Ų63.737%0.3733%0.334SS..  trans-8727.7177.6-51.5177.1-169.4173.33.5112.4N125 Q128N125-R130 HydrophobicContact CB-CB 4.23Å; N125-R130 CarbonylContact O-C 3.58Å; N125-R130 WeakPolarHBondContact O-CA 3.29Å; N125-R130 WeakPolarHBondContact O-CB 3.36Å; N125-R130 PolarHBondContact O-N 3.02Å; Q128-R130 HydrophobicContact CB-CG 4.43Å; Q128-R130 PolarHBondContact O-N 3.35Å
131G86.3Confident91.2Very high34 Ų3465.3 Ų65.335%0.35134%0.341SS..SBendtrans-89.1177.1177.600000112G129G129-G131 PolarHBondContact O-N 3.47Å
132Q87.9Confident91.4Very high161 Ų16162.4 Ų62.475%0.75233%0.327SS*.  trans-83.7159.5170.9-63.9179.7-3.600110.7G134 D135Q132-G134 PolarHBondContact O-N 3.01Å; Q132-D135 PolarHBondContact N-OD2 2.92Å; Q132-D135 VanDerWaalsContact O-CB 3.26Å; Q132-D135 WeakPolarHBondContact O-CB 3.22Å; Q132-D135 PolarHBondContact O-N 3.42Å
133Y83.1Confident91.7Very high244 Ų24464.1 Ų64.196%0.95733%0.327SS*.THydrogen-bonded Turntrans-54.2128.4173.1-179.1-96.2000110.8
134G84.5Confident91.8Very high69 Ų6965.9 Ų65.971%0.71134%0.337SS*.THydrogen-bonded Turntrans87.7-6.7-176.200000115.3Q132 K136Q132-G134 PolarHBondContact O-N 3.01Å; G134-K136 PolarHBondContact O-N 2.76Å
135D85.9Confident92Very high67 Ų6766 Ų6636%0.35834%0.338SS..PPolyproline II helixtrans-66.2119.8175-85.7-30.9000111.4I126 Q132I126-D135 HydrophobicContact CD1-CB 4.25Å; I126-D135 HydrophobicContact CG1-CB 4.19Å; I126-D135 HydrophobicContact CG2-CB 3.85Å; Q132-D135 PolarHBondContact N-OD2 2.92Å; Q132-D135 VanDerWaalsContact O-CB 3.26Å; Q132-D135 WeakPolarHBondContact O-CB 3.22Å; Q132-D135 PolarHBondContact O-N 3.42Å
136K89.4Confident92.2Very high77 Ų7765 Ų6534%0.33533%0.332SS..PPolyproline II helixtrans-92.4117.3172.6-167.2169.3-177.2161.50110.5G134 R140 Q141 D144G134-K136 PolarHBondContact O-N 2.76Å; K136-R140 HydrophobicContact CD-CB 4.48Å; K136-R140 WeakPolarHBondContact CE-O 3.42Å; K136-R140 HydrophobicContact CG-CB 3.94Å; K136-Q141 HydrophobicContact CB-CG 4.42Å; K136-Q141 HydrophobicContact CD-CG 4.04Å; K136-Q141 HydrophobicContact CG-CG 3.95Å; K136-Q141 PolarHBondContact O-NE2 2.57Å; K136-D144 IonicContact NZ-OD1 2.62Å; K136-D144 PolarHBondContact NZ-OD1 2.62Å; K136-D144 IonicContact NZ-OD2 3.01Å; K136-D144 PolarHBondContact NZ-OD2 3.16Å
137S94.3Very high92.3Very high13 Ų1366.6 Ų66.69%0.09134%0.341CS..PPolyproline II helixtrans-58.4150.6175.9790000112V139 R140 Q141S137-V139 PolarHBondContact O-N 2.95Å; S137-R140 PolarHBondContact O-N 2.93Å; S137-R140 WeakPolarHBondContact OG-CG 3.39Å; S137-R140 PolarHBondContact OG-N 3.03Å; S137-Q141 WeakPolarHBondContact O-CG 3.33Å; S137-Q141 PolarHBondContact O-N 2.67Å
138V94.5Very high92.3Very high1 Ų162.8 Ų62.81%0.00633%0.326CS..Hα-helixtrans-62.2-34.4179.9178.60000111.3L123 Q141 A142 F163 F165 M173 L177L123-V138 HydrophobicContact CB-CG2 4.29Å; L123-V138 HydrophobicContact CD1-CG2 4.23Å; L123-V138 HydrophobicContact CD2-CG2 3.4Å; L123-V138 HydrophobicContact CG-CG2 4.16Å; V138-Q141 WeakPolarHBondContact O-CB 3.38Å; V138-Q141 PolarHBondContact O-N 2.88Å; V138-A142 PolarHBondContact O-N 3.38Å; V138-F163 HydrophobicContact CG1-CD2 3.5Å; V138-F163 VanDerWaalsContact CG1-CD2 3.5Å; V138-F163 HydrophobicContact CG1-CE2 3.61Å; V138-F165 HydrophobicContact CG1-CE1 3.92Å; V138-F165 HydrophobicContact CG1-CZ 3.78Å; V138-M173 HydrophobicContact CB-SD 4.34Å; V138-L177 HydrophobicContact CG1-CD1 4.29Å
139V95.3Very high92.5Very high6 Ų659.9 Ų59.94%0.03631%0.313CS..Hα-helixtrans-62.7-47.9175.5-178.40000110.6W127 S137 Q141 A142 E143 M173 R176 L177 L180W127-V139 HydrophobicContact CD2-CG2 4.3Å; W127-V139 HydrophobicContact CG-CG2 4.18Å; S137-V139 PolarHBondContact O-N 2.95Å; V139-Q141 VanDerWaalsContact C-N 3.29Å; V139-Q141 PolarHBondContact O-N 2.89Å; V139-A142 WeakPolarHBondContact O-CB 3.34Å; V139-A142 PolarHBondContact O-N 2.93Å; V139-E143 PolarHBondContact O-N 3.11Å; V139-M173 HydrophobicContact CG2-CG 4.34Å; V139-R176 HydrophobicContact CG1-CG 3.95Å; V139-R176 HydrophobicContact CG2-CG 4.12Å; V139-L177 HydrophobicContact CG2-CD2 4.43Å; V139-L180 HydrophobicContact CG1-CD1 3.65Å
140R94.4Very high92.5Very high163 Ų16364.3 Ų64.362%0.61531%0.308SS*.Hα-helixtrans-63.8-32.7174.4-72.8-175.8176.2-172.4-0.2112.7K136 S137 A142 D144K136-R140 HydrophobicContact CD-CB 4.48Å; K136-R140 WeakPolarHBondContact CE-O 3.42Å; K136-R140 HydrophobicContact CG-CB 3.94Å; S137-R140 PolarHBondContact O-N 2.93Å; S137-R140 WeakPolarHBondContact OG-CG 3.39Å; S137-R140 PolarHBondContact OG-N 3.03Å; R140-A142 VanDerWaalsContact C-N 3.34Å; R140-D144 PolarHBondContact O-N 3.01Å
141Q95.9Very high92.5Very high36 Ų3663.3 Ų63.317%0.16831%0.308CS..Hα-helixtrans-66.8-37.4172.4-66.9-177.432.400111.6K136 S137 V138 V139 E143 D144 F145 F163K136-Q141 HydrophobicContact CB-CG 4.42Å; K136-Q141 HydrophobicContact CD-CG 4.04Å; K136-Q141 HydrophobicContact CG-CG 3.95Å; K136-Q141 PolarHBondContact O-NE2 2.57Å; S137-Q141 WeakPolarHBondContact O-CG 3.33Å; S137-Q141 PolarHBondContact O-N 2.67Å; V138-Q141 WeakPolarHBondContact O-CB 3.38Å; V138-Q141 PolarHBondContact O-N 2.88Å; V139-Q141 VanDerWaalsContact C-N 3.29Å; V139-Q141 PolarHBondContact O-N 2.89Å; Q141-E143 VanDerWaalsContact C-N 3.35Å; Q141-D144 WeakPolarHBondContact O-CB 3.3Å; Q141-D144 PolarHBondContact O-N 2.89Å; Q141-F145 VanDerWaalsContact O-CD2 3.26Å; Q141-F145 WeakPolarHBondContact O-CD2 3.45Å; Q141-F145 PolarHBondContact O-N 3.19Å; Q141-F145 VanDerWaalsContact O-N 3.12Å; Q141-F163 HydrophobicContact CB-CE2 4.31Å; Q141-F163 HydrophobicContact CB-CZ 4.33Å
142A97.3Very high92.5Very high0 Ų064.2 Ų64.20%030%0.303CS..Hα-helixtrans-65.9-38.5177.500000112V138 V139 R140 F145 L146 F163 L177 V182V138-A142 PolarHBondContact O-N 3.38Å; V139-A142 WeakPolarHBondContact O-CB 3.34Å; V139-A142 PolarHBondContact O-N 2.93Å; R140-A142 VanDerWaalsContact C-N 3.34Å; A142-F145 WeakPolarHBondContact O-CB 3.43Å; A142-F145 PolarHBondContact O-N 3.29Å; A142-L146 WeakPolarHBondContact O-CG 3.45Å; A142-L146 PolarHBondContact O-N 3.06Å; A142-F163 VanDerWaalsContact CA-CZ 3.44Å; A142-F163 HydrophobicContact CB-CE1 4.1Å; A142-F163 HydrophobicContact CB-CE2 4.01Å; A142-F163 HydrophobicContact CB-CZ 3.72Å; A142-L177 HydrophobicContact CB-CD2 3.49Å; A142-L177 VanDerWaalsContact CB-CD2 3.49Å; A142-V182 HydrophobicContact CB-CG2 3.8Å
143E96.6Very high92.4Very high82 Ų8258.9 Ų58.938%0.38328%0.283SS..Hα-helixtrans-59.3-45.7173.1-69.5166.8172.400112V139 Q141 F145 L146 L147 L180V139-E143 PolarHBondContact O-N 3.11Å; Q141-E143 VanDerWaalsContact C-N 3.35Å; E143-F145 VanDerWaalsContact C-N 3.31Å; E143-F145 PolarHBondContact O-N 3.27Å; E143-L146 PolarHBondContact O-N 3.31Å; E143-L147 WeakPolarHBondContact O-CB 3.44Å; E143-L147 PolarHBondContact O-N 3.02Å; E143-L180 HydrophobicContact CG-CD1 4.15Å
144D96.4Very high92.4Very high39 Ų3949.1 Ų49.121%0.20925%0.249CC..Hα-helixtrans-58.2-43.4173.9-74.110.8000112Y90 L100 K136 R140 Q141 L147 A148Y90-D144 WeakPolarHBondContact OH-CB 3.15Å; Y90-D144 PolarHBondContact OH-OD2 3.49Å; Y90-D144 VanDerWaalsContact OH-OD2 3.11Å; L100-D144 HydrophobicContact CD2-CB 4.2Å; K136-D144 IonicContact NZ-OD1 2.62Å; K136-D144 PolarHBondContact NZ-OD1 2.62Å; K136-D144 IonicContact NZ-OD2 3.01Å; K136-D144 PolarHBondContact NZ-OD2 3.16Å; R140-D144 PolarHBondContact O-N 3.01Å; Q141-D144 WeakPolarHBondContact O-CB 3.3Å; Q141-D144 PolarHBondContact O-N 2.89Å; D144-L147 PolarHBondContact O-N 2.98Å; D144-A148 WeakPolarHBondContact O-CB 3.46Å; D144-A148 PolarHBondContact O-N 2.99Å
145F97.6Very high92.4Very high7 Ų748.5 Ų48.53%0.03123%0.229CC..Hα-helixtrans-63.2-43.9179.2-92.7-115.9000111.5L100 V101 V102 K114 Q141 A142 E143 A148 S149 I161 F163L100-F145 HydrophobicContact CB-CE2 4.35Å; L100-F145 HydrophobicContact CD1-CD2 4.31Å; L100-F145 HydrophobicContact CD1-CE1 4.29Å; L100-F145 HydrophobicContact CD1-CE2 4.01Å; L100-F145 HydrophobicContact CD1-CZ 3.98Å; L100-F145 HydrophobicContact CD2-CD2 3.79Å; L100-F145 HydrophobicContact CD2-CE2 4.11Å; L100-F145 HydrophobicContact CD2-CG 4.24Å; L100-F145 HydrophobicContact CG-CE2 4.41Å; V101-F145 WeakPolarHBondContact O-CZ 3.32Å; V102-F145 HydrophobicContact CB-CE1 4.39Å; V102-F145 HydrophobicContact CG2-CD1 4.34Å; V102-F145 HydrophobicContact CG2-CE1 3.68Å; V102-F145 HydrophobicContact CG2-CZ 4.2Å; K114-F145 HydrophobicContact CB-CE1 3.99Å; K114-F145 HydrophobicContact CB-CZ 4.02Å; K114-F145 HydrophobicContact CD-CE1 4.25Å; K114-F145 HydrophobicContact CD-CE2 3.9Å; K114-F145 HydrophobicContact CD-CZ 3.45Å; K114-F145 VanDerWaalsContact CD-CZ 3.45Å; K114-F145 HydrophobicContact CG-CZ 4.21Å; Q141-F145 VanDerWaalsContact O-CD2 3.26Å; Q141-F145 WeakPolarHBondContact O-CD2 3.45Å; Q141-F145 PolarHBondContact O-N 3.19Å; Q141-F145 VanDerWaalsContact O-N 3.12Å; A142-F145 WeakPolarHBondContact O-CB 3.43Å; A142-F145 PolarHBondContact O-N 3.29Å; E143-F145 VanDerWaalsContact C-N 3.31Å; E143-F145 PolarHBondContact O-N 3.27Å; F145-A148 PolarHBondContact O-N 3.35Å; F145-S149 WeakPolarHBondContact O-CB 3.26Å; F145-S149 PolarHBondContact O-N 3.38Å; F145-S149 PolarHBondContact O-OG 2.93Å; F145-I161 HydrophobicContact CB-CD1 4.18Å; F145-I161 HydrophobicContact CB-CG1 4.19Å; F145-I161 HydrophobicContact CB-CG2 3.77Å; F145-I161 HydrophobicContact CD1-CD1 4.22Å; F145-I161 HydrophobicContact CD1-CG2 4.02Å; F145-I161 HydrophobicContact CG-CG2 4.27Å; F145-F163 HydrophobicContact CB-CE1 4.33Å; F145-F163 HydrophobicContact CD1-CE1 4.22Å; F145-F163 HydrophobicContact CD2-CE1 4.46Å; F145-F163 HydrophobicContact CD2-CZ 4.29Å; F145-F163 HydrophobicContact CG-CE1 4.09Å; F145-F163 HydrophobicContact CG-CZ 4.35Å
146L96.2Very high92.3Very high27 Ų2746.6 Ų46.614%0.14122%0.217CC..Hα-helixtrans-64.7-40.2176.3-70.3167000111.6A142 E143 S149 R150 I161 L180 V182A142-L146 WeakPolarHBondContact O-CG 3.45Å; A142-L146 PolarHBondContact O-N 3.06Å; E143-L146 PolarHBondContact O-N 3.31Å; L146-S149 PolarHBondContact O-OG 2.76Å; L146-S149 VanDerWaalsContact O-OG 3.11Å; L146-R150 VanDerWaalsContact O-CG 3.27Å; L146-R150 WeakPolarHBondContact O-CG 3.38Å; L146-R150 PolarHBondContact O-N 3.47Å; L146-I161 HydrophobicContact CD2-CB 4.3Å; L146-I161 HydrophobicContact CD2-CG1 3.87Å; L146-I161 HydrophobicContact CG-CG1 4.36Å; L146-L180 HydrophobicContact CD1-CB 4.09Å; L146-L180 VanDerWaalsContact CD1-O 3.29Å; L146-L180 WeakPolarHBondContact CD1-O 3.31Å; L146-V182 HydrophobicContact CD1-CG2 3.87Å; L146-V182 HydrophobicContact CD2-CG2 4.29Å; L146-V182 HydrophobicContact CG-CG2 4.11Å
147L95.6Very high92Very high60 Ų6044.9 Ų44.931%0.31421%0.208SC..Hα-helixtrans-65.6-41.8176.3-179.758.5000111.7Y90 E143 D144 Q151Y90-L147 HydrophobicContact CD2-CD2 4.2Å; Y90-L147 HydrophobicContact CD2-CG 4.15Å; Y90-L147 HydrophobicContact CE2-CD2 3.99Å; Y90-L147 HydrophobicContact CE2-CG 4.32Å; E143-L147 WeakPolarHBondContact O-CB 3.44Å; E143-L147 PolarHBondContact O-N 3.02Å; D144-L147 PolarHBondContact O-N 2.98Å; L147-Q151 PolarHBondContact O-NE2 3.31Å
148A95.3Very high91.8Very high0 Ų048.2 Ų48.20%022%0.222CC..Hα-helixtrans-67.9-42.1177.100000112.3Y90 L100 W112 D144 F145 R150 Q151 M152Y90-A148 HydrophobicContact CD1-CB 3.83Å; Y90-A148 HydrophobicContact CD2-CB 4.25Å; Y90-A148 HydrophobicContact CG-CB 3.68Å; L100-A148 HydrophobicContact CD2-CB 3.59Å; L100-A148 HydrophobicContact CG-CB 4.31Å; W112-A148 HydrophobicContact CZ3-CB 4.06Å; D144-A148 WeakPolarHBondContact O-CB 3.46Å; D144-A148 PolarHBondContact O-N 2.99Å; F145-A148 PolarHBondContact O-N 3.35Å; A148-R150 VanDerWaalsContact C-N 3.27Å; A148-R150 PolarHBondContact O-N 3.17Å; A148-Q151 PolarHBondContact O-N 2.9Å; A148-M152 PolarHBondContact O-N 3.4Å
149S94.3Very high91.7Very high4 Ų448.4 Ų48.43%0.02822%0.223CC..Hα-helixtrans-65.4-31.7-179.875.90000112.4F145 L146 Q151 M152 H158 P159F145-S149 WeakPolarHBondContact O-CB 3.26Å; F145-S149 PolarHBondContact O-N 3.38Å; F145-S149 PolarHBondContact O-OG 2.93Å; L146-S149 PolarHBondContact O-OG 2.76Å; L146-S149 VanDerWaalsContact O-OG 3.11Å; S149-Q151 PolarHBondContact O-N 3.42Å; S149-M152 CarbonylContact O-C 3.45Å; S149-M152 PolarHBondContact O-N 2.78Å; S149-H158 PolarHBondContact O-ND1 3.47Å; S149-P159 WeakPolarHBondContact O-CD 3.43Å
150R91.4Very high91.6Very high163 Ų16350.5 Ų50.562%0.61523%0.231SC*.Hα-helixtrans-60.9-31.7172.1-74.4172.3-173.9-173.53.5113.2L146 A148 H158L146-R150 VanDerWaalsContact O-CG 3.27Å; L146-R150 WeakPolarHBondContact O-CG 3.38Å; L146-R150 PolarHBondContact O-N 3.47Å; A148-R150 VanDerWaalsContact C-N 3.27Å; A148-R150 PolarHBondContact O-N 3.17Å; R150-H158 WeakPolarHBondContact CA-ND1 3.37Å; R150-H158 PolarHBondContact O-CE1 3.36Å; R150-H158 PolarHBondContact O-ND1 3.33Å
151Q90.1Very high91.7Very high77 Ų7742.8 Ų42.836%0.3620%0.202SC..Hα-helixtrans-87.4-11.8180-63.8176.15300113.2R91 L147 A148 S149 P153R91-Q151 PolarHBondContact O-NE2 3.01Å; L147-Q151 PolarHBondContact O-NE2 3.31Å; A148-Q151 PolarHBondContact O-N 2.9Å; S149-Q151 PolarHBondContact O-N 3.42Å; Q151-P153 WeakPolarHBondContact O-CD 3.21Å
152M87.6Confident91.8Very high52 Ų5241.1 Ų41.126%0.25619%0.194SC..SBendtrans-121.858.6-177.3-64.5-63.7-71.300111.9F88 W112 A148 S149 P159F88-M152 HydrophobicContact CD1-CE 3.88Å; F88-M152 HydrophobicContact CD1-CG 4.16Å; F88-M152 HydrophobicContact CE1-CE 3.94Å; W112-M152 HydrophobicContact CH2-CB 3.83Å; W112-M152 HydrophobicContact CH2-CG 4.1Å; W112-M152 HydrophobicContact CZ2-CB 3.87Å; W112-M152 HydrophobicContact CZ2-CG 4.47Å; A148-M152 PolarHBondContact O-N 3.4Å; S149-M152 CarbonylContact O-C 3.45Å; S149-M152 PolarHBondContact O-N 2.78Å; M152-P159 WeakPolarHBondContact O-CD 3.46Å
153P84.6Confident91.8Very high49 Ų4941.1 Ų41.132%0.31819%0.194SC..  trans-68.4139178.429.8-34.6000111.4Q151 R157Q151-P153 WeakPolarHBondContact O-CD 3.21Å; P153-R157 CarbonylContact C-O 3.54Å; P153-R157 VanDerWaalsContact CA-O 3.23Å; P153-R157 WeakPolarHBondContact CA-O 3.18Å
154V83Confident91.7Very high40 Ų4037.2 Ų37.224%0.24218%0.176CC..BIsolated β-bridgetrans-108121168.7179.90000106.9L110 Y156 R157L110-V154 HydrophobicContact CD2-CB 3.8Å; L110-V154 HydrophobicContact CD2-CG1 4.3Å; L110-V154 HydrophobicContact CG-CB 4.28Å; L110-V154 HydrophobicContact CG-CG1 4.35Å; V154-Y156 VanDerWaalsContact C-N 3.28Å; V154-Y156 PolarHBondContact O-N 3.06Å; V154-R157 PolarHBondContact N-O 3.33Å; V154-R157 WeakPolarHBondContact O-CA 3.38Å; V154-R157 WeakPolarHBondContact O-CB 3.43Å; V154-R157 PolarHBondContact O-N 3.08Å
155N84.6Confident91.7Very high55 Ų5535.5 Ų35.529%0.29417%0.166SC..THydrogen-bonded Turntrans51.744.5-178-60.9-23.5000113.8R157 V381 S401N155-R157 PolarHBondContact O-N 3.1Å; N155-R157 VanDerWaalsContact O-N 3.16Å; N155-V381 HydrophobicContact CB-CG2 3.92Å; N155-S401 WeakPolarHBondContact CA-OG 3.41Å; N155-S401 PolarHBondContact N-OG 3.34Å
156Y84Confident91.3Very high28 Ų2838.3 Ų38.311%0.1118%0.177CC..THydrogen-bonded Turntrans59.813.5-174-52.9-76.6000116.1V154 D376 R379 A380 V381 S401V154-Y156 VanDerWaalsContact C-N 3.28Å; V154-Y156 PolarHBondContact O-N 3.06Å; Y156-D376 WeakPolarHBondContact CE1-OD1 3.27Å; Y156-D376 WeakPolarHBondContact OH-CA 3.4Å; Y156-R379 HydrophobicContact CD1-CB 4.14Å; Y156-R379 HydrophobicContact CD1-CG 4.46Å; Y156-R379 VanDerWaalsContact CD2-C 3.42Å; Y156-R379 HydrophobicContact CD2-CB 4.34Å; Y156-R379 WeakPolarHBondContact CD2-O 3.38Å; Y156-R379 VanDerWaalsContact CE2-C 3.47Å; Y156-R379 HydrophobicContact CG-CB 3.95Å; Y156-A380 WeakPolarHBondContact CE2-O 3.38Å; Y156-A380 PolarHBondContact OH-O 3.24Å; Y156-V381 HydrophobicContact CD2-CG2 4.28Å; Y156-V381 HydrophobicContact CE2-CG2 4.3Å; Y156-S401 VanDerWaalsContact CE2-CB 3.45Å; Y156-S401 PolarHBondContact N-OG 3.01Å
157R84Confident91Very high40 Ų4040.2 Ų40.215%0.15119%0.188CC..BIsolated β-bridgetrans-109.5137.1176.3-62.1176.258177.58109.9L110 P153 V154 N155 P252 E253L110-R157 HydrophobicContact CD2-CB 3.66Å; P153-R157 CarbonylContact C-O 3.54Å; P153-R157 VanDerWaalsContact CA-O 3.23Å; P153-R157 WeakPolarHBondContact CA-O 3.18Å; V154-R157 PolarHBondContact N-O 3.33Å; V154-R157 WeakPolarHBondContact O-CA 3.38Å; V154-R157 WeakPolarHBondContact O-CB 3.43Å; V154-R157 PolarHBondContact O-N 3.08Å; N155-R157 PolarHBondContact O-N 3.1Å; N155-R157 VanDerWaalsContact O-N 3.16Å; R157-P252 PolarHBondContact NH1-O 3.24Å; R157-P252 PolarHBondContact NH2-O 3.15Å; R157-E253 PolarHBondContact NH1-O 3.48Å
158H88.4Confident90.8Very high84 Ų8437.6 Ų37.639%0.38918%0.175SC..PPolyproline II helixtrans-79.4134.7173.4-59.3-54.9000109.2S149 R150 R160S149-H158 PolarHBondContact O-ND1 3.47Å; R150-H158 WeakPolarHBondContact CA-ND1 3.37Å; R150-H158 PolarHBondContact O-CE1 3.36Å; R150-H158 PolarHBondContact O-ND1 3.33Å; H158-R160 PolarHBondContact O-N 3.47Å
159P93Very high90.8Very high5 Ų537.6 Ų37.63%0.03218%0.175CC..PPolyproline II helixtrans-54.3133173.9-26.633.4000111.5G109 L110 W112 S149 M152 I161G109-P159 WeakPolarHBondContact O-CG 3.41Å; L110-P159 CarbonylContact O-C 3.53Å; L110-P159 VanDerWaalsContact O-CA 3.26Å; L110-P159 WeakPolarHBondContact O-CA 3.49Å; W112-P159 HydrophobicContact CD2-CB 3.89Å; W112-P159 HydrophobicContact CD2-CG 4.26Å; W112-P159 HydrophobicContact CG-CB 3.8Å; W112-P159 HydrophobicContact CZ2-CB 4.37Å; W112-P159 HydrophobicContact CZ2-CG 3.82Å; S149-P159 WeakPolarHBondContact O-CD 3.43Å; M152-P159 WeakPolarHBondContact O-CD 3.46Å; P159-I161 PolarHBondContact O-N 3.33Å
160R93.9Very high90.9Very high49 Ų4937.4 Ų37.419%0.18517%0.174CC..EExtended strand (participates in β ladder)trans-65.8129.2168.917417659.7-171.2-2.4108.7D107 L110 T111 W112 H158 V162 P249 L251D107-R160 IonicContact OD2-NH2 3.81Å; L110-R160 PolarHBondContact O-N 2.95Å; T111-R160 PolarHBondContact OG1-NE 3.03Å; T111-R160 PolarHBondContact OG1-NH2 3.48Å; T111-R160 VanDerWaalsContact OG1-NH2 3.11Å; W112-R160 PolarHBondContact N-O 3.34Å; H158-R160 PolarHBondContact O-N 3.47Å; R160-V162 HydrophobicContact CG-CG2 4.21Å; R160-P249 PolarHBondContact NH1-O 3.47Å; R160-L251 HydrophobicContact CB-CD2 3.93Å
161I96.9Very high91.1Very high2 Ų231 Ų311%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-93128.9176.9-56.1-50.3000109.7W112 F145 L146 P159 F163 V182 A183W112-I161 HydrophobicContact CB-CD1 3.79Å; W112-I161 HydrophobicContact CD2-CD1 4.22Å; W112-I161 HydrophobicContact CE3-CD1 3.84Å; W112-I161 HydrophobicContact CG-CD1 4.26Å; F145-I161 HydrophobicContact CB-CD1 4.18Å; F145-I161 HydrophobicContact CB-CG1 4.19Å; F145-I161 HydrophobicContact CB-CG2 3.77Å; F145-I161 HydrophobicContact CD1-CD1 4.22Å; F145-I161 HydrophobicContact CD1-CG2 4.02Å; F145-I161 HydrophobicContact CG-CG2 4.27Å; L146-I161 HydrophobicContact CD2-CB 4.3Å; L146-I161 HydrophobicContact CD2-CG1 3.87Å; L146-I161 HydrophobicContact CG-CG1 4.36Å; P159-I161 PolarHBondContact O-N 3.33Å; I161-F163 HydrophobicContact CG2-CD1 3.79Å; I161-F163 HydrophobicContact CG2-CE1 3.56Å; I161-V182 HydrophobicContact CB-CG2 4.38Å; I161-V182 HydrophobicContact CG2-CG1 4.13Å; I161-V182 HydrophobicContact CG2-CG2 4.15Å; I161-A183 PolarHBondContact O-N 2.92Å
162V96.9Very high91.4Very high0 Ų030 Ų300%015%0.154CC..EExtended strand (participates in β ladder)trans-124.7125.5180-173.70000109.2T111 W112 V113 K114 R160 A183 R185 L248T111-V162 HydrophobicContact CG2-CG2 3.81Å; W112-V162 PolarHBondContact O-N 2.84Å; V113-V162 CarbonylContact C-O 3.51Å; V113-V162 WeakPolarHBondContact CA-O 3.38Å; V113-V162 HydrophobicContact CG1-CB 4.48Å; V113-V162 HydrophobicContact CG2-CB 4.24Å; K114-V162 PolarHBondContact N-O 2.94Å; R160-V162 HydrophobicContact CG-CG2 4.21Å; V162-A183 CarbonylContact C-O 3.57Å; V162-A183 VanDerWaalsContact CA-O 3.29Å; V162-A183 WeakPolarHBondContact CA-O 3.38Å; V162-A183 HydrophobicContact CG1-CB 4.46Å; V162-A183 HydrophobicContact CG2-CB 4.13Å; V162-R185 HydrophobicContact CG1-CG 3.89Å; V162-L248 HydrophobicContact CG1-CD1 4.47Å; V162-L248 HydrophobicContact CG1-CD2 4.05Å; V162-L248 HydrophobicContact CG2-CD1 3.64Å; V162-L248 HydrophobicContact CG2-CD2 3.95Å; V162-L248 HydrophobicContact CG2-CG 4.49Å
163F97.3Very high91.8Very high0 Ų027.5 Ų27.50%014%0.142CC..EExtended strand (participates in β ladder)trans-107.2113.3172-84.245.5000108.1K114 V116 V138 Q141 A142 F145 I161 F165 V182 A183 R185K114-F163 HydrophobicContact CB-CD1 3.78Å; K114-F163 HydrophobicContact CB-CD2 4.37Å; K114-F163 HydrophobicContact CB-CE1 3.71Å; K114-F163 HydrophobicContact CB-CE2 4.33Å; K114-F163 HydrophobicContact CB-CG 4.1Å; K114-F163 HydrophobicContact CB-CZ 4Å; K114-F163 HydrophobicContact CG-CD2 4.38Å; K114-F163 HydrophobicContact CG-CE1 4.32Å; K114-F163 HydrophobicContact CG-CE2 4.13Å; K114-F163 HydrophobicContact CG-CZ 4.08Å; V116-F163 HydrophobicContact CG2-CD2 4.24Å; V138-F163 HydrophobicContact CG1-CD2 3.5Å; V138-F163 VanDerWaalsContact CG1-CD2 3.5Å; V138-F163 HydrophobicContact CG1-CE2 3.61Å; Q141-F163 HydrophobicContact CB-CE2 4.31Å; Q141-F163 HydrophobicContact CB-CZ 4.33Å; A142-F163 VanDerWaalsContact CA-CZ 3.44Å; A142-F163 HydrophobicContact CB-CE1 4.1Å; A142-F163 HydrophobicContact CB-CE2 4.01Å; A142-F163 HydrophobicContact CB-CZ 3.72Å; F145-F163 HydrophobicContact CB-CE1 4.33Å; F145-F163 HydrophobicContact CD1-CE1 4.22Å; F145-F163 HydrophobicContact CD2-CE1 4.46Å; F145-F163 HydrophobicContact CD2-CZ 4.29Å; F145-F163 HydrophobicContact CG-CE1 4.09Å; F145-F163 HydrophobicContact CG-CZ 4.35Å; I161-F163 HydrophobicContact CG2-CD1 3.79Å; I161-F163 HydrophobicContact CG2-CE1 3.56Å; F163-F165 HydrophobicContact CB-CD2 4.46Å; F163-F165 HydrophobicContact CB-CE2 3.63Å; F163-F165 HydrophobicContact CB-CZ 3.96Å; F163-F165 HydrophobicContact CD2-CZ 4.2Å; F163-F165 WeakPolarHBondContact O-CD2 3.4Å; F163-V182 HydrophobicContact CB-CG1 4.06Å; F163-V182 HydrophobicContact CD1-CG1 3.61Å; F163-V182 HydrophobicContact CE1-CG1 4.36Å; F163-V182 HydrophobicContact CG-CG1 3.97Å; F163-A183 PolarHBondContact N-O 3.43Å; F163-R185 PolarHBondContact O-N 2.97Å
164A95.8Very high92.3Very high0 Ų025.1 Ų25.10%013%0.126CC..EExtended strand (participates in β ladder)trans-103.9109.9-176.800000110.4V113 K114 V116 Y166 R185 F246V113-A164 HydrophobicContact CG1-CB 3.98Å; K114-A164 PolarHBondContact O-N 2.66Å; V116-A164 PolarHBondContact N-O 3.23Å; A164-Y166 HydrophobicContact CB-CD2 4.44Å; A164-Y166 HydrophobicContact CB-CE2 3.78Å; A164-R185 HydrophobicContact CB-CB 4.14Å; A164-F246 HydrophobicContact CB-CE2 4.46Å; A164-F246 HydrophobicContact CB-CZ 4.45Å
165F94.7Very high92.9Very high4 Ų426 Ų262%0.01813%0.129CC..EExtended strand (participates in β ladder)trans-98.5115.5-175.5-62.1-91.1000111V116 L123 V138 F163 V169 L177 V184 R185 G186V116-F165 HydrophobicContact CB-CD1 3.7Å; V116-F165 HydrophobicContact CB-CE1 3.98Å; V116-F165 HydrophobicContact CB-CG 4.34Å; V116-F165 HydrophobicContact CG1-CD1 3.71Å; V116-F165 HydrophobicContact CG1-CE1 3.85Å; V116-F165 HydrophobicContact CG2-CD1 4.18Å; V116-F165 HydrophobicContact CG2-CE1 3.99Å; V116-F165 HydrophobicContact CG2-CZ 4.45Å; L123-F165 HydrophobicContact CD1-CD1 3.87Å; L123-F165 HydrophobicContact CD1-CE1 3.86Å; V138-F165 HydrophobicContact CG1-CE1 3.92Å; V138-F165 HydrophobicContact CG1-CZ 3.78Å; F163-F165 HydrophobicContact CB-CD2 4.46Å; F163-F165 HydrophobicContact CB-CE2 3.63Å; F163-F165 HydrophobicContact CB-CZ 3.96Å; F163-F165 HydrophobicContact CD2-CZ 4.2Å; F163-F165 WeakPolarHBondContact O-CD2 3.4Å; F165-V169 HydrophobicContact CB-CB 4.21Å; F165-V169 HydrophobicContact CB-CG1 4.42Å; F165-V169 HydrophobicContact CD1-CB 3.85Å; F165-V169 HydrophobicContact CD1-CG2 4.26Å; F165-V169 HydrophobicContact CD2-CB 3.86Å; F165-V169 HydrophobicContact CD2-CG1 3.93Å; F165-V169 HydrophobicContact CD2-CG2 4.28Å; F165-V169 HydrophobicContact CE1-CB 4.14Å; F165-V169 HydrophobicContact CE1-CG2 4.03Å; F165-V169 HydrophobicContact CE2-CB 4.15Å; F165-V169 HydrophobicContact CE2-CG1 4.38Å; F165-V169 HydrophobicContact CE2-CG2 4.05Å; F165-V169 HydrophobicContact CG-CB 3.71Å; F165-V169 HydrophobicContact CG-CG1 4.14Å; F165-V169 HydrophobicContact CG-CG2 4.39Å; F165-V169 HydrophobicContact CZ-CB 4.29Å; F165-V169 HydrophobicContact CZ-CG2 3.92Å; F165-L177 HydrophobicContact CE2-CD1 3.83Å; F165-L177 HydrophobicContact CZ-CD1 3.54Å; F165-V184 HydrophobicContact CD2-CG1 3.93Å; F165-V184 HydrophobicContact CE2-CG1 3.93Å; F165-R185 WeakPolarHBondContact CD2-O 3.5Å; F165-R185 PolarHBondContact N-O 3.35Å; F165-G186 VanDerWaalsContact O-CA 3.24Å; F165-G186 WeakPolarHBondContact O-CA 3.48Å
166Y89.3Confident93.5Very high66 Ų6628.9 Ų28.926%0.25914%0.136SC..EExtended strand (participates in β ladder)trans-98.1-7.8-176.9-76.6-104.5000113.6A70 D73 S74 V116 A164A70-Y166 VanDerWaalsContact CA-CE2 3.4Å; A70-Y166 VanDerWaalsContact CA-CZ 3.44Å; A70-Y166 HydrophobicContact CB-CD1 4.04Å; A70-Y166 HydrophobicContact CB-CD2 3.07Å; A70-Y166 HydrophobicContact CB-CE1 4.25Å; A70-Y166 HydrophobicContact CB-CE2 3.3Å; A70-Y166 HydrophobicContact CB-CG 3.47Å; A70-Y166 VanDerWaalsContact CB-CG 3.47Å; A70-Y166 PolarHBondContact O-OH 2.92Å; D73-Y166 HydrophobicContact CB-CE1 3.6Å; D73-Y166 WeakPolarHBondContact CB-OH 3.44Å; D73-Y166 WeakPolarHBondContact OD2-CE1 3.41Å; S74-Y166 PolarHBondContact N-OH 3.13Å; S74-Y166 PolarHBondContact OG-OH 3.28Å; S74-Y166 VanDerWaalsContact OG-OH 3.1Å; V116-Y166 PolarHBondContact O-N 3.21Å; V116-Y166 VanDerWaalsContact O-N 3.1Å; A164-Y166 HydrophobicContact CB-CD2 4.44Å; A164-Y166 HydrophobicContact CB-CE2 3.78Å
167N90Very high94.2Very high67 Ų6727.5 Ų27.536%0.35813%0.131SC..EExtended strand (participates in β ladder)trans-123.130.6171.9-75.9-39.1000111.6T66 G117 K119 A120T66-N167 WeakPolarHBondContact CG2-ND2 3.34Å; G117-N167 PolarHBondContact O-ND2 2.96Å; K119-N167 HydrophobicContact CG-CB 4.44Å; A120-N167 PolarHBondContact N-O 2.83Å
168G92.1Very high94.7Very high5 Ų530.2 Ų30.25%0.05214%0.141CC..EExtended strand (participates in β ladder)trans73.3168.4179.100000115.6A120 D187A120-G168 WeakPolarHBondContact CB-O 3.31Å; G168-D187 CarbonylContact C-O 3.57Å; G168-D187 WeakPolarHBondContact CA-O 3.48Å
169V95.6Very high95.1Very high0 Ų034 Ų340%016%0.158CC..EExtended strand (participates in β ladder)trans-139.6139176.857.70000108.7F165 M173 A174 V184 D187 I188 V189F165-V169 HydrophobicContact CB-CB 4.21Å; F165-V169 HydrophobicContact CB-CG1 4.42Å; F165-V169 HydrophobicContact CD1-CB 3.85Å; F165-V169 HydrophobicContact CD1-CG2 4.26Å; F165-V169 HydrophobicContact CD2-CB 3.86Å; F165-V169 HydrophobicContact CD2-CG1 3.93Å; F165-V169 HydrophobicContact CD2-CG2 4.28Å; F165-V169 HydrophobicContact CE1-CB 4.14Å; F165-V169 HydrophobicContact CE1-CG2 4.03Å; F165-V169 HydrophobicContact CE2-CB 4.15Å; F165-V169 HydrophobicContact CE2-CG1 4.38Å; F165-V169 HydrophobicContact CE2-CG2 4.05Å; F165-V169 HydrophobicContact CG-CB 3.71Å; F165-V169 HydrophobicContact CG-CG1 4.14Å; F165-V169 HydrophobicContact CG-CG2 4.39Å; F165-V169 HydrophobicContact CZ-CB 4.29Å; F165-V169 HydrophobicContact CZ-CG2 3.92Å; V169-M173 HydrophobicContact CG2-CB 4.1Å; V169-M173 HydrophobicContact CG2-CE 3.59Å; V169-M173 HydrophobicContact CG2-CG 4.05Å; V169-A174 HydrophobicContact CG1-CB 3.98Å; V169-A174 HydrophobicContact CG2-CB 4.18Å; V169-V184 HydrophobicContact CG1-CG1 3.91Å; V169-D187 PolarHBondContact N-O 3.15Å; V169-I188 HydrophobicContact CG1-CG1 4.06Å; V169-I188 CarbonylContact O-C 3.59Å; V169-I188 WeakPolarHBondContact O-CA 3.48Å; V169-V189 WeakPolarHBondContact O-CG2 3.31Å; V169-V189 PolarHBondContact O-N 3.24Å
170S96.3Very high95.3Very high0 Ų036 Ų360%017%0.169CC..EExtended strand (participates in β ladder)trans-67.5145.6177.559.60000111.5H124 M173 A174 V189H124-S170 PolarHBondContact ND1-OG 2.9Å; S170-M173 PolarHBondContact O-N 2.95Å; S170-M173 VanDerWaalsContact O-N 3.11Å; S170-M173 WeakPolarHBondContact OG-CB 3.34Å; S170-A174 PolarHBondContact O-N 3.37Å; S170-V189 CarbonylContact C-O 3.51Å; S170-V189 WeakPolarHBondContact CA-O 3.39Å
171S95.8Very high95.3Very high29 Ų2936.2 Ų36.220%0.20319%0.187CC..Hα-helixtrans-50.9-50.5-179.3-159.10000113.3M173 A174 D175 V189S171-M173 VanDerWaalsContact C-N 3.25Å; S171-M173 PolarHBondContact O-N 3.33Å; S171-A174 WeakPolarHBondContact O-CB 3.4Å; S171-A174 PolarHBondContact O-N 3.18Å; S171-A174 VanDerWaalsContact O-N 3.12Å; S171-D175 VanDerWaalsContact O-CG 3.26Å; S171-D175 PolarHBondContact O-N 3.32Å; S171-D175 VanDerWaalsContact O-OD2 3.1Å; S171-D175 PolarHBondContact OG-OD2 3.48Å; S171-V189 PolarHBondContact N-O 3.26Å
172P95.3Very high95.3Very high54 Ų5436.3 Ų36.335%0.35119%0.187SC..Hα-helixtrans-64-32.8-177.4-19.532.9000112.4W127 R176 V191W127-P172 HydrophobicContact CH2-CB 4.13Å; W127-P172 HydrophobicContact CZ3-CB 4Å; P172-R176 WeakPolarHBondContact O-CB 3.25Å; P172-R176 PolarHBondContact O-N 3.18Å; P172-V191 HydrophobicContact CG-CB 4.42Å; P172-V191 HydrophobicContact CG-CG2 4.1Å
173M95.4Very high95.2Very high0 Ų037.5 Ų37.50%020%0.197CC..Hα-helixtrans-73.2-40176.4-176.3163.158.100111.7L123 W127 V138 V139 V169 S170 S171 D175 R176 L177L123-M173 HydrophobicContact CB-CE 3.47Å; L123-M173 VanDerWaalsContact CB-CE 3.47Å; L123-M173 HydrophobicContact CB-SD 4.24Å; L123-M173 HydrophobicContact CD1-CE 4.31Å; W127-M173 HydrophobicContact CB-SD 4.39Å; W127-M173 HydrophobicContact CE3-CB 3.74Å; W127-M173 HydrophobicContact CE3-CG 4.15Å; W127-M173 HydrophobicContact CE3-SD 4.38Å; W127-M173 HydrophobicContact CH2-CB 4.49Å; W127-M173 HydrophobicContact CZ3-CB 3.72Å; V138-M173 HydrophobicContact CB-SD 4.34Å; V139-M173 HydrophobicContact CG2-CG 4.34Å; V169-M173 HydrophobicContact CG2-CB 4.1Å; V169-M173 HydrophobicContact CG2-CE 3.59Å; V169-M173 HydrophobicContact CG2-CG 4.05Å; S170-M173 PolarHBondContact O-N 2.95Å; S170-M173 VanDerWaalsContact O-N 3.11Å; S170-M173 WeakPolarHBondContact OG-CB 3.34Å; S171-M173 VanDerWaalsContact C-N 3.25Å; S171-M173 PolarHBondContact O-N 3.33Å; M173-D175 VanDerWaalsContact C-N 3.3Å; M173-D175 PolarHBondContact O-N 2.83Å; M173-R176 PolarHBondContact O-N 3.21Å; M173-L177 HydrophobicContact CG-CD1 4.37Å; M173-L177 VanDerWaalsContact O-CG 3.31Å; M173-L177 WeakPolarHBondContact O-CG 3.45Å; M173-L177 PolarHBondContact O-N 2.87Å
174A96.3Very high95.1Very high0 Ų037.7 Ų37.70%020%0.198CC..Hα-helixtrans-61-42.7174.200000111V169 S170 S171 L177 R178 V184 I188V169-A174 HydrophobicContact CG1-CB 3.98Å; V169-A174 HydrophobicContact CG2-CB 4.18Å; S170-A174 PolarHBondContact O-N 3.37Å; S171-A174 WeakPolarHBondContact O-CB 3.4Å; S171-A174 PolarHBondContact O-N 3.18Å; S171-A174 VanDerWaalsContact O-N 3.12Å; A174-L177 PolarHBondContact O-N 2.91Å; A174-R178 VanDerWaalsContact O-CG 3.32Å; A174-R178 WeakPolarHBondContact O-CG 3.28Å; A174-R178 PolarHBondContact O-N 2.85Å; A174-V184 HydrophobicContact CB-CG1 4.27Å; A174-I188 HydrophobicContact CB-CD1 3.99Å; A174-I188 HydrophobicContact CB-CG1 4.24Å; A174-I188 HydrophobicContact CB-CG2 4.28Å
175D96.1Very high95.1Very high57 Ų5739.3 Ų39.331%0.30520%0.204SC..Hα-helixtrans-66.6-42.1177.4-64.1-31.1000111.2S171 M173 L177 R178 H179S171-D175 VanDerWaalsContact O-CG 3.26Å; S171-D175 PolarHBondContact O-N 3.32Å; S171-D175 VanDerWaalsContact O-OD2 3.1Å; S171-D175 PolarHBondContact OG-OD2 3.48Å; M173-D175 VanDerWaalsContact C-N 3.3Å; M173-D175 PolarHBondContact O-N 2.83Å; D175-L177 PolarHBondContact O-N 3.19Å; D175-R178 PolarHBondContact O-N 3.1Å; D175-R178 IonicContact OD1-CZ 3.62Å; D175-R178 IonicContact OD1-NH1 2.78Å; D175-R178 PolarHBondContact OD1-NH1 2.88Å; D175-H179 PolarHBondContact O-N 2.87Å; D175-H179 PolarHBondContact O-ND1 3.41Å
176R97.2Very high95Very high116 Ų11640 Ų4044%0.43821%0.212SC..Hα-helixtrans-59.6-44174-178.258.7-179.1-172.80.5112.4W127 V139 P172 M173 R178 H179 L180W127-R176 HydrophobicContact CH2-CB 4.17Å; W127-R176 HydrophobicContact CZ2-CB 3.94Å; W127-R176 HydrophobicContact CZ2-CG 3.97Å; V139-R176 HydrophobicContact CG1-CG 3.95Å; V139-R176 HydrophobicContact CG2-CG 4.12Å; P172-R176 WeakPolarHBondContact O-CB 3.25Å; P172-R176 PolarHBondContact O-N 3.18Å; M173-R176 PolarHBondContact O-N 3.21Å; R176-R178 PolarHBondContact O-N 3.47Å; R176-H179 PolarHBondContact O-N 3.2Å; R176-L180 WeakPolarHBondContact O-CG 3.36Å; R176-L180 PolarHBondContact O-N 3.21Å; R176-L180 VanDerWaalsContact O-N 3.16Å
177L97.3Very high95.2Very high0 Ų039.5 Ų39.50%021%0.214CC..Hα-helixtrans-62.9-41.4177.5-71.9168.7000111.9V138 V139 A142 F165 M173 A174 D175 L180 G181 V182 V184V138-L177 HydrophobicContact CG1-CD1 4.29Å; V139-L177 HydrophobicContact CG2-CD2 4.43Å; A142-L177 HydrophobicContact CB-CD2 3.49Å; A142-L177 VanDerWaalsContact CB-CD2 3.49Å; F165-L177 HydrophobicContact CE2-CD1 3.83Å; F165-L177 HydrophobicContact CZ-CD1 3.54Å; M173-L177 HydrophobicContact CG-CD1 4.37Å; M173-L177 VanDerWaalsContact O-CG 3.31Å; M173-L177 WeakPolarHBondContact O-CG 3.45Å; M173-L177 PolarHBondContact O-N 2.87Å; A174-L177 PolarHBondContact O-N 2.91Å; D175-L177 PolarHBondContact O-N 3.19Å; L177-L180 WeakPolarHBondContact O-CB 3.32Å; L177-L180 PolarHBondContact O-N 3.46Å; L177-G181 PolarHBondContact O-N 3.06Å; L177-V182 HydrophobicContact CB-CB 4.31Å; L177-V182 WeakPolarHBondContact O-CB 3.24Å; L177-V182 PolarHBondContact O-N 3.28Å; L177-V184 HydrophobicContact CB-CG2 3.71Å; L177-V184 HydrophobicContact CD1-CG2 4.1Å
178R95.8Very high95.5Very high97 Ų9736.4 Ų36.437%0.36620%0.197SC..Hα-helixtrans-63.1-42.9175.5-71.4168.3-178.4151.2-8.4112.3A174 D175 R176 L180 G181 V184A174-R178 VanDerWaalsContact O-CG 3.32Å; A174-R178 WeakPolarHBondContact O-CG 3.28Å; A174-R178 PolarHBondContact O-N 2.85Å; D175-R178 PolarHBondContact O-N 3.1Å; D175-R178 IonicContact OD1-CZ 3.62Å; D175-R178 IonicContact OD1-NH1 2.78Å; D175-R178 PolarHBondContact OD1-NH1 2.88Å; R176-R178 PolarHBondContact O-N 3.47Å; R178-L180 PolarHBondContact O-N 3.46Å; R178-G181 WeakPolarHBondContact O-CA 3.41Å; R178-G181 PolarHBondContact O-N 3.44Å; R178-V184 HydrophobicContact CG-CG2 4.27Å
179H96.9Very high95.7Very high162 Ų16236.5 Ų36.575%0.7520%0.197SC*.Hα-helixtrans-60.8-31.3176-78.489.2000112.5D175 R176 G181D175-H179 PolarHBondContact O-N 2.87Å; D175-H179 PolarHBondContact O-ND1 3.41Å; R176-H179 PolarHBondContact O-N 3.2Å; H179-G181 PolarHBondContact O-N 2.95Å
180L96.1Very high95.6Very high48 Ų4837.1 Ų37.125%0.25120%0.202SC..THydrogen-bonded Turntrans-74.1-9.5172.7-68.7175.1000113.9V139 E143 L146 R176 L177 R178V139-L180 HydrophobicContact CG1-CD1 3.65Å; E143-L180 HydrophobicContact CG-CD1 4.15Å; L146-L180 HydrophobicContact CD1-CB 4.09Å; L146-L180 VanDerWaalsContact CD1-O 3.29Å; L146-L180 WeakPolarHBondContact CD1-O 3.31Å; R176-L180 WeakPolarHBondContact O-CG 3.36Å; R176-L180 PolarHBondContact O-N 3.21Å; R176-L180 VanDerWaalsContact O-N 3.16Å; L177-L180 WeakPolarHBondContact O-CB 3.32Å; L177-L180 PolarHBondContact O-N 3.46Å; R178-L180 PolarHBondContact O-N 3.46Å
181G94.4Very high95.4Very high54 Ų5438.9 Ų38.956%0.55721%0.213SC*.THydrogen-bonded Turntrans88.819-17500000114.2L177 R178 H179L177-G181 PolarHBondContact O-N 3.06Å; R178-G181 WeakPolarHBondContact O-CA 3.41Å; R178-G181 PolarHBondContact O-N 3.44Å; H179-G181 PolarHBondContact O-N 2.95Å
182V96.4Very high95.1Very high3 Ų344.9 Ų44.92%0.01823%0.231CC..PPolyproline II helixtrans-94129.1175.1175.70000110.2A142 L146 I161 F163 L177A142-V182 HydrophobicContact CB-CG2 3.8Å; L146-V182 HydrophobicContact CD1-CG2 3.87Å; L146-V182 HydrophobicContact CD2-CG2 4.29Å; L146-V182 HydrophobicContact CG-CG2 4.11Å; I161-V182 HydrophobicContact CB-CG2 4.38Å; I161-V182 HydrophobicContact CG2-CG1 4.13Å; I161-V182 HydrophobicContact CG2-CG2 4.15Å; F163-V182 HydrophobicContact CB-CG1 4.06Å; F163-V182 HydrophobicContact CD1-CG1 3.61Å; F163-V182 HydrophobicContact CE1-CG1 4.36Å; F163-V182 HydrophobicContact CG-CG1 3.97Å; L177-V182 HydrophobicContact CB-CB 4.31Å; L177-V182 WeakPolarHBondContact O-CB 3.24Å; L177-V182 PolarHBondContact O-N 3.28Å
183A95.4Very high94.5Very high26 Ų2646.7 Ų46.722%0.21524%0.241CC..EExtended strand (participates in β ladder)trans-75129.8172.300000110.1I161 V162 F163 L248I161-A183 PolarHBondContact O-N 2.92Å; V162-A183 CarbonylContact C-O 3.57Å; V162-A183 VanDerWaalsContact CA-O 3.29Å; V162-A183 WeakPolarHBondContact CA-O 3.38Å; V162-A183 HydrophobicContact CG1-CB 4.46Å; V162-A183 HydrophobicContact CG2-CB 4.13Å; F163-A183 PolarHBondContact N-O 3.43Å; A183-L248 HydrophobicContact CB-CD2 4.34Å
184V95.4Very high93.2Very high4 Ų451.1 Ų51.12%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-103.8135.6179.9176.60000109.9F165 V169 A174 L177 R178 L244F165-V184 HydrophobicContact CD2-CG1 3.93Å; F165-V184 HydrophobicContact CE2-CG1 3.93Å; V169-V184 HydrophobicContact CG1-CG1 3.91Å; A174-V184 HydrophobicContact CB-CG1 4.27Å; L177-V184 HydrophobicContact CB-CG2 3.71Å; L177-V184 HydrophobicContact CD1-CG2 4.1Å; R178-V184 HydrophobicContact CG-CG2 4.27Å; V184-L244 VanDerWaalsContact O-CD1 3.31Å; V184-L244 WeakPolarHBondContact O-CD1 3.23Å
185R94.6Very high91.2Very high34 Ų3459.7 Ų59.713%0.12830%0.301CS..EExtended strand (participates in β ladder)trans-127152.2171.6-63.7-68.6158.3-164.8-13.6110.8V162 F163 A164 F165 L244 A245 F246 L248V162-R185 HydrophobicContact CG1-CG 3.89Å; F163-R185 PolarHBondContact O-N 2.97Å; A164-R185 HydrophobicContact CB-CB 4.14Å; F165-R185 WeakPolarHBondContact CD2-O 3.5Å; F165-R185 PolarHBondContact N-O 3.35Å; R185-L244 CarbonylContact C-O 3.58Å; R185-L244 VanDerWaalsContact CA-O 3.3Å; R185-L244 WeakPolarHBondContact CA-O 3.49Å; R185-L244 WeakPolarHBondContact CB-O 3.22Å; R185-L244 WeakPolarHBondContact CD-O 3.34Å; R185-A245 WeakPolarHBondContact CD-O 3.44Å; R185-A245 PolarHBondContact NH1-O 2.91Å; R185-F246 HydrophobicContact CB-CE2 4.47Å; R185-F246 HydrophobicContact CG-CE1 4.49Å; R185-F246 HydrophobicContact CG-CE2 4.4Å; R185-F246 HydrophobicContact CG-CZ 4.25Å; R185-L248 HydrophobicContact CG-CD2 4.33Å
186G92.9Very high89.1Confident17 Ų1763.5 Ų63.518%0.17532%0.317CS..EExtended strand (participates in β ladder)trans107.8-171-17600000114.1F165 L244F165-G186 VanDerWaalsContact O-CA 3.24Å; F165-G186 WeakPolarHBondContact O-CA 3.48Å; G186-L244 PolarHBondContact N-O 3.38Å; G186-L244 PolarHBondContact O-N 3.04Å
187D94.7Very high86.5Confident56 Ų5666.7 Ų66.730%0.29934%0.337SS..EExtended strand (participates in β ladder)trans-81129.2-178.8-71.2-2.3000110.9G168 V169 V240 R243G168-D187 CarbonylContact C-O 3.57Å; G168-D187 WeakPolarHBondContact CA-O 3.48Å; V169-D187 PolarHBondContact N-O 3.15Å; D187-V240 HydrophobicContact CB-CG1 4.05Å; D187-V240 HydrophobicContact CB-CG2 4.43Å; D187-R243 VanDerWaalsContact OD1-CG 3.29Å; D187-R243 WeakPolarHBondContact OD1-CG 3.39Å; D187-R243 IonicContact OD1-NE 2.91Å; D187-R243 IonicContact OD2-NE 2.78Å
188I95.4Very high83.8Confident3 Ų375.9 Ų75.92%0.01538%0.38CS..EExtended strand (participates in β ladder)trans-96.8122.6174.1-58.4-178.6000108V169 A174 V240 L241 A242 L244V169-I188 HydrophobicContact CG1-CG1 4.06Å; V169-I188 CarbonylContact O-C 3.59Å; V169-I188 WeakPolarHBondContact O-CA 3.48Å; A174-I188 HydrophobicContact CB-CD1 3.99Å; A174-I188 HydrophobicContact CB-CG1 4.24Å; A174-I188 HydrophobicContact CB-CG2 4.28Å; I188-V240 CarbonylContact O-C 3.59Å; I188-V240 WeakPolarHBondContact O-CA 3.49Å; I188-L241 PolarHBondContact O-N 3.21Å; I188-A242 HydrophobicContact CB-CB 4.33Å; I188-A242 HydrophobicContact CD1-CB 4.27Å; I188-A242 PolarHBondContact N-O 3.49Å; I188-L244 HydrophobicContact CD1-CD1 4.1Å; I188-L244 HydrophobicContact CD1-CG 4.41Å
189V95.7Very high81.1Confident6 Ų680.1 Ų80.14%0.03640%0.401CS..EExtended strand (participates in β ladder)trans-110.2146.2-175.1-640000111.8A120 V169 S170 S171 V235 T239 V240A120-V189 HydrophobicContact CB-CG2 3.7Å; V169-V189 WeakPolarHBondContact O-CG2 3.31Å; V169-V189 PolarHBondContact O-N 3.24Å; S170-V189 CarbonylContact C-O 3.51Å; S170-V189 WeakPolarHBondContact CA-O 3.39Å; S171-V189 PolarHBondContact N-O 3.26Å; V189-V235 HydrophobicContact CB-CG1 4.44Å; V189-V235 HydrophobicContact CG2-CG1 3.48Å; V189-V235 VanDerWaalsContact CG2-CG1 3.48Å; V189-T239 WeakPolarHBondContact CA-O 3.48Å; V189-V240 HydrophobicContact CG1-CG2 4.3Å
190A93.4Very high78.3Confident13 Ų1380.1 Ų80.111%0.10741%0.407CS..EExtended strand (participates in β ladder)trans-68.6160.6-179.800000112.5Q236 T239 L241A190-Q236 HydrophobicContact CB-CB 4.26Å; A190-Q236 PolarHBondContact O-N 2.65Å; A190-T239 HydrophobicContact CB-CG2 3.79Å; A190-T239 PolarHBondContact N-O 3.33Å; A190-L241 HydrophobicContact CB-CD1 3.96Å; A190-L241 HydrophobicContact CB-CD2 4.03Å; A190-L241 HydrophobicContact CB-CG 3.99Å
191V92.5Very high75.7Confident37 Ų3787 Ų8722%0.22444%0.438CS..EExtended strand (participates in β ladder)trans-128.4133.5174.8-179.90000107.8P172 T233 Q234 V235P172-V191 HydrophobicContact CG-CB 4.42Å; P172-V191 HydrophobicContact CG-CG2 4.1Å; V191-T233 HydrophobicContact CG1-CG2 4.32Å; V191-Q234 CarbonylContact C-O 3.51Å; V191-Q234 WeakPolarHBondContact CA-O 3.45Å; V191-V235 HydrophobicContact CG2-CG2 4.38Å
192R90.5Very high73Confident155 Ų15587.1 Ų87.159%0.58544%0.439SS*.EExtended strand (participates in β ladder)trans-93.1143.8167.5-81.7-172.7176.9154.110109.6T233 Q234 Q236R192-T233 CarbonylContact O-C 3.47Å; R192-T233 WeakPolarHBondContact O-CA 3.35Å; R192-T233 WeakPolarHBondContact O-CB 3.27Å; R192-Q234 PolarHBondContact N-O 2.91Å; R192-Q234 PolarHBondContact O-N 3.43Å; R192-Q236 HydrophobicContact CG-CG 4.08Å
193V82.5Confident70.1Confident92 Ų9296.5 Ų96.556%0.55848%0.482SS*.EExtended strand (participates in β ladder)trans-97.2123.5165.2-172.90000105.8T233V193-T233 HydrophobicContact CG2-CG2 4.16Å
194E68.1Low67.4Low94 Ų94104.2 Ų104.244%0.43951%0.514SS..EExtended strand (participates in β ladder)trans-82.6114.6165.9-65.9177.9168.200106L232E194-L232 HydrophobicContact CB-CB 4.27Å; E194-L232 WeakPolarHBondContact CB-O 3.29Å; E194-L232 PolarHBondContact N-O 2.98Å
195E53.8Low64.4Low179 Ų179113.5 Ų113.584%0.83656%0.557SS**  trans-68.2127.8166.3-69.3174.2178.200106.3E197E195-E197 PolarHBondContact O-N 2.92Å
196E51.7Low61.8Low137 Ų137120.7 Ų120.764%0.6459%0.592SS**  trans-61.4112173.6-73.5177.6167.300107.3E198E196-E198 PolarHBondContact O-N 3.5Å; E196-E198 VanDerWaalsContact O-N 3.07Å
197E43.6Very low59Low183 Ų183130.8 Ų130.886%0.85563%0.625SS**  trans-62.5110.2161.9-71.4-176167.700105.8E195 K199E195-E197 PolarHBondContact O-N 2.92Å; E197-K199 PolarHBondContact O-N 3.5Å
198E40.6Very low55.9Low193 Ų193135.3 Ų135.390%0.90265%0.649SS**  trans-48.8103.7168.3-74.7179.9164.200107.4E196 D200E196-E198 PolarHBondContact O-N 3.5Å; E196-E198 VanDerWaalsContact O-N 3.07Å; E198-D200 PolarHBondContact O-N 2.88Å; E198-D200 VanDerWaalsContact O-N 3.13Å
199K39.1Very low53.3Low186 Ų186144.1 Ų144.181%0.80969%0.69SS**  trans-73.2106.4167-77.3-174.8177.2-179.70105.9E197 E201E197-K199 PolarHBondContact O-N 3.5Å; K199-E201 VanDerWaalsContact C-N 3.3Å; K199-E201 PolarHBondContact O-N 3.06Å
200D36.7Very low50.2Low163 Ų163153.1 Ų153.187%0.87273%0.732SS**  trans-5793.4166.6-158.210.9000107.9E198 G202E198-D200 PolarHBondContact O-N 2.88Å; E198-D200 VanDerWaalsContact O-N 3.13Å; D200-G202 VanDerWaalsContact C-N 3.25Å; D200-G202 PolarHBondContact O-N 2.97Å
201E41.5Very low47.5Very low193 Ų193161.6 Ų161.690%0.90277%0.77SS**  trans-78.281171.3-73.8-171.5172.900108.4K199K199-E201 VanDerWaalsContact C-N 3.3Å; K199-E201 PolarHBondContact O-N 3.06Å
202G38.5Very low44.5Very low56 Ų56166.4 Ų166.458%0.57780%0.799SS**  trans-120.695.5163.300000109.2D200D200-G202 VanDerWaalsContact C-N 3.25Å; D200-G202 PolarHBondContact O-N 2.97Å
203E34.8Very low41.9Very low199 Ų199168.1 Ų168.193%0.9381%0.813SS**  trans175.6113.3131.1-93.4170-166.800109.5
204E40.5Very low39.4Very low189 Ų189172.6 Ų172.688%0.88383%0.828SS**  trans-59.2132.6170.3-58.4170.8157.200110.3
205E32.4Very low37.6Very low198 Ų198177.3 Ų177.393%0.92585%0.85SS**  trans-141.5122.6143.6-78.7-158.516500110.1
206E40.1Very low36.5Very low185 Ų185177.9 Ų177.986%0.86485%0.853SS**  trans-54144176.6-57176.5150.800112.5
207R32.2Very low35.5Very low229 Ų229180.4 Ų180.486%0.86487%0.865SS**  trans-173.7121.4131.4-103.5162.2-168.2-169.95.2114.4
208D31.3Very low34.9Very low152 Ų152180.9 Ų180.981%0.81387%0.867SS**  trans65.2113.5139-59.2-17.4000120.6
209E39.7Very low34.4Very low187 Ų187176.2 Ų176.287%0.87486%0.862SS**  trans-49.5128.7166.4-58.4165.4167.700113.3
210E32.1Very low34.1Very low196 Ų196174.5 Ų174.592%0.91686%0.861SS**  trans-141.6119.9139.9-76.4-164.1163.100109.3
211E34.9Very low33.9Very low191 Ų191172.4 Ų172.489%0.89386%0.857SS**  trans-67.3131.6179.3-61.7174.1149.100111.7
212V31.3Very low33.5Very low138 Ų138170.4 Ų170.484%0.83685%0.852SS**  trans-140.3121.1148.6-174.80000108.3
213E34.6Very low33.2Very low190 Ų190173.8 Ų173.889%0.88886%0.857SS**  trans-57.8127.6177.4-60172.914900111.5
214E30.4Very low33.3Very low187 Ų187170.3 Ų170.387%0.87485%0.851SS**  trans-123.5130.6160.6-72.9-166.6168.500109.5
215E29.6Very low33.1Very low192 Ų192169.5 Ų169.590%0.89785%0.848SS**  trans-63.9135.6-174.9-61.7177.6151.100111.6E217E215-E217 PolarHBondContact O-N 3.47Å
216E31.4Very low33.2Very low191 Ų191162.9 Ų162.989%0.89383%0.832SS**  trans-64.9110.5174.2-63.6178.4157.200110.7
217E31.3Very low33.1Very low191 Ų191163.7 Ų163.789%0.89384%0.836SS**  trans-94.2110.9155.8-79.6-163.3164.700109E215 A219E215-E217 PolarHBondContact O-N 3.47Å; E217-A219 PolarHBondContact O-N 2.88Å
218E30.6Very low33.5Very low192 Ų192160.4 Ų160.490%0.89784%0.835SS**PPolyproline II helixtrans-56.9119.7176-70-165.9160.600111.8
219A30.7Very low33.9Very low96 Ų96157.2 Ų157.279%0.79383%0.829SS**PPolyproline II helixtrans-73.3125.417000000110.8E217E217-A219 PolarHBondContact O-N 2.88Å
220N31.8Very low34.4Very low150 Ų150152 Ų15280%0.80281%0.814SS**PPolyproline II helixtrans-74.4125.5175.8-138.7-7.6000109.6D222N220-D222 VanDerWaalsContact C-N 3.28Å; N220-D222 PolarHBondContact O-N 3.16Å; N220-D222 VanDerWaalsContact O-N 3.1Å
221P33.4Very low35.7Very low119 Ų119145.4 Ų145.477%0.77379%0.789SS**SBendtrans-84.322.5-166.328.9-27.6000115.9
222D32.9Very low37.7Very low151 Ų151140 Ų14081%0.80777%0.766SS**  trans-123.526-167.8-95.3-23.8000115.6N220 P224N220-D222 VanDerWaalsContact C-N 3.28Å; N220-D222 PolarHBondContact O-N 3.16Å; N220-D222 VanDerWaalsContact O-N 3.1Å; D222-P224 WeakPolarHBondContact O-CD 3.43Å
223D32.1Very low40.2Very low127 Ų127134.2 Ų134.268%0.67973%0.731SS**  trans-98.7108.2168.6-157-13.2000111.4E225D223-E225 VanDerWaalsContact C-N 3.25Å; D223-E225 PolarHBondContact O-N 2.93Å; D223-E225 PolarHBondContact OD1-N 3.06Å
224P35.7Very low42.6Very low125 Ų125130 Ų13081%0.81271%0.711SS**  trans-87.821.7-179.338.1-35.2000112.8D222 G226D222-P224 WeakPolarHBondContact O-CD 3.43Å; P224-G226 VanDerWaalsContact C-N 3.3Å; P224-G226 PolarHBondContact O-N 3.46Å
225E37.4Very low45.4Very low173 Ų173121.6 Ų121.681%0.80867%0.672SS**  trans-87.575.5167.4-71-165175.200110.3D223D223-E225 VanDerWaalsContact C-N 3.25Å; D223-E225 PolarHBondContact O-N 2.93Å; D223-E225 PolarHBondContact OD1-N 3.06Å
226G33.4Very low48.3Very low58 Ų58114.3 Ų114.360%0.59864%0.639SS**  trans-50.8139.2175.400000113.4P224 L228P224-G226 VanDerWaalsContact C-N 3.3Å; P224-G226 PolarHBondContact O-N 3.46Å; G226-L228 PolarHBondContact O-N 2.96Å
227E39.1Very low50.5Low202 Ų202111 Ų11194%0.94462%0.618SS**  trans-42.596.8166.4-63.6170.5149.200111.2A229E227-A229 PolarHBondContact O-N 3.33Å
228L39.1Very low53Low161 Ų161105.7 Ų105.784%0.84362%0.615SS**  trans-82106.7159.3-109.687.4000107.2G226 S230G226-L228 PolarHBondContact O-N 2.96Å; L228-S230 PolarHBondContact O-N 3.35Å
229A40.9Very low55.9Low84 Ų8499.4 Ų99.469%0.69459%0.589SS**  trans-41.8112.8165.700000109.6E227 S231E227-A229 PolarHBondContact O-N 3.33Å; A229-S231 VanDerWaalsContact C-N 3.33Å; A229-S231 PolarHBondContact O-N 3.14Å
230S49.3Very low58.9Low79 Ų7997.5 Ų97.555%0.55257%0.568SS**  trans-79.783.6-171.985.80000109.6L228 L232L228-S230 PolarHBondContact O-N 3.35Å; S230-L232 PolarHBondContact O-N 3.15Å; S230-L232 VanDerWaalsContact O-N 3.11Å
231S60Low61.7Low56 Ų5695.2 Ų95.239%0.39256%0.555SS.*  trans-48.4123.217363.20000109.8A229 T233A229-S231 VanDerWaalsContact C-N 3.33Å; A229-S231 PolarHBondContact O-N 3.14Å; S231-T233 PolarHBondContact O-N 3.33Å
232L76.1Confident64.5Low77 Ų7791.4 Ų91.440%0.40353%0.534SS..EExtended strand (participates in β ladder)trans-67115.8-178.4-68.6171.8000108.9E194 S230E194-L232 HydrophobicContact CB-CB 4.27Å; E194-L232 WeakPolarHBondContact CB-O 3.29Å; E194-L232 PolarHBondContact N-O 2.98Å; S230-L232 PolarHBondContact O-N 3.15Å; S230-L232 VanDerWaalsContact O-N 3.11Å
233T83.8Confident67.3Low17 Ų1793.2 Ų93.210%0.10453%0.529CS..EExtended strand (participates in β ladder)trans-108.3139.3177.367.10000112.6H124 Q128 V191 R192 V193 S231H124-T233 PolarHBondContact NE2-OG1 2.71Å; Q128-T233 PolarHBondContact NE2-OG1 3.24Å; Q128-T233 PolarHBondContact OE1-OG1 3.06Å; Q128-T233 VanDerWaalsContact OE1-OG1 3.08Å; V191-T233 HydrophobicContact CG1-CG2 4.32Å; R192-T233 CarbonylContact O-C 3.47Å; R192-T233 WeakPolarHBondContact O-CA 3.35Å; R192-T233 WeakPolarHBondContact O-CB 3.27Å; V193-T233 HydrophobicContact CG2-CG2 4.16Å; S231-T233 PolarHBondContact O-N 3.33Å
234Q86.6Confident70Confident102 Ų10289.5 Ų89.548%0.47751%0.509SS..EExtended strand (participates in β ladder)trans-123.1132.1-176.9-162.4-174.553.500112.4V191 R192V191-Q234 CarbonylContact C-O 3.51Å; V191-Q234 WeakPolarHBondContact CA-O 3.45Å; R192-Q234 PolarHBondContact N-O 2.91Å; R192-Q234 PolarHBondContact O-N 3.43Å
235V88.9Confident72.3Confident10 Ų1087 Ų876%0.06150%0.499CS..EExtended strand (participates in β ladder)trans-78.3124.6-179.3179.10000111.8A120 E121 H124 V189 V191 R237A120-V235 HydrophobicContact CB-CG1 4.05Å; E121-V235 HydrophobicContact CB-CB 4.13Å; E121-V235 HydrophobicContact CB-CG2 4.4Å; E121-V235 HydrophobicContact CG-CB 4.38Å; H124-V235 HydrophobicContact CB-CG2 3.58Å; V189-V235 HydrophobicContact CB-CG1 4.44Å; V189-V235 HydrophobicContact CG2-CG1 3.48Å; V189-V235 VanDerWaalsContact CG2-CG1 3.48Å; V191-V235 HydrophobicContact CG2-CG2 4.38Å; V235-R237 HydrophobicContact CG1-CG 4.46Å; V235-R237 PolarHBondContact O-N 3.33Å
236Q88.9Confident74.4Confident40 Ų4080.3 Ų80.319%0.18747%0.467CS..EExtended strand (participates in β ladder)trans-9286.6176.7-58-153.6-44.700112.1A190 R192 G238 T239A190-Q236 HydrophobicContact CB-CB 4.26Å; A190-Q236 PolarHBondContact O-N 2.65Å; R192-Q236 HydrophobicContact CG-CG 4.08Å; Q236-G238 PolarHBondContact O-N 3.23Å; Q236-G238 VanDerWaalsContact O-N 3.12Å; Q236-T239 PolarHBondContact O-N 2.99Å; Q236-T239 PolarHBondContact OE1-OG1 2.96Å; Q236-T239 VanDerWaalsContact OE1-OG1 3.04Å
237R78.4Confident76.4Confident121 Ų12182.7 Ų82.746%0.45747%0.472SS..EExtended strand (participates in β ladder)trans-58.4-29.6-175.7-61.5-174.9-173.7176.14114.7E121 V235 T239E121-R237 IonicContact OE2-CZ 3.96Å; E121-R237 IonicContact OE2-NE 3.12Å; E121-R237 PolarHBondContact OE2-NE 2.94Å; E121-R237 IonicContact OE2-NH2 3.41Å; E121-R237 PolarHBondContact OE2-NH2 3.25Å; V235-R237 HydrophobicContact CG1-CG 4.46Å; V235-R237 PolarHBondContact O-N 3.33Å; R237-T239 VanDerWaalsContact C-N 3.35Å
238G84.9Confident78.4Confident80 Ų8074 Ų7483%0.82543%0.432SS*.EExtended strand (participates in β ladder)trans-78.6-15.9179.400000114.5Q236Q236-G238 PolarHBondContact O-N 3.23Å; Q236-G238 VanDerWaalsContact O-N 3.12Å
239T90.9Very high80.3Confident60 Ų6069.9 Ų69.937%0.36842%0.415SS..EExtended strand (participates in β ladder)trans-102.785.1-174.1-48.10000109.6V189 A190 Q236 R237 L241V189-T239 WeakPolarHBondContact CA-O 3.48Å; A190-T239 HydrophobicContact CB-CG2 3.79Å; A190-T239 PolarHBondContact N-O 3.33Å; Q236-T239 PolarHBondContact O-N 2.99Å; Q236-T239 PolarHBondContact OE1-OG1 2.96Å; Q236-T239 VanDerWaalsContact OE1-OG1 3.04Å; R237-T239 VanDerWaalsContact C-N 3.35Å; T239-L241 HydrophobicContact CG2-CD2 4.37Å
240V92.9Very high82.1Confident56 Ų5671.8 Ų71.834%0.33942%0.42SS..EExtended strand (participates in β ladder)trans-81.9115.7177.1-178.40000109.7D187 I188 V189 A242 R243D187-V240 HydrophobicContact CB-CG1 4.05Å; D187-V240 HydrophobicContact CB-CG2 4.43Å; I188-V240 CarbonylContact O-C 3.59Å; I188-V240 WeakPolarHBondContact O-CA 3.49Å; V189-V240 HydrophobicContact CG1-CG2 4.3Å; V240-A242 WeakPolarHBondContact CG1-O 3.33Å; V240-R243 HydrophobicContact CG1-CG 3.92Å
241L91.1Very high83.3Confident102 Ų10270 Ų7053%0.53440%0.404SS..EExtended strand (participates in β ladder)trans-82.8-34.4179.8-61179.2000112.7I188 A190 T239I188-L241 PolarHBondContact O-N 3.21Å; A190-L241 HydrophobicContact CB-CD1 3.96Å; A190-L241 HydrophobicContact CB-CD2 4.03Å; A190-L241 HydrophobicContact CB-CG 3.99Å; T239-L241 HydrophobicContact CG2-CD2 4.37Å
242A91.7Very high83.6Confident39 Ų3971.8 Ų71.832%0.32241%0.414SS..EExtended strand (participates in β ladder)trans-156153.7178.600000111.4I188 V240I188-A242 HydrophobicContact CB-CB 4.33Å; I188-A242 HydrophobicContact CD1-CB 4.27Å; I188-A242 PolarHBondContact N-O 3.49Å; V240-A242 WeakPolarHBondContact CG1-O 3.33Å
243R91.8Very high83.1Confident188 Ų18877 Ų7771%0.70944%0.437SS*.EExtended strand (participates in β ladder)trans-120.6115.4173-61.3-164.4170.7165.70.2110.2D187 V240D187-R243 VanDerWaalsContact OD1-CG 3.29Å; D187-R243 WeakPolarHBondContact OD1-CG 3.39Å; D187-R243 IonicContact OD1-NE 2.91Å; D187-R243 IonicContact OD2-NE 2.78Å; V240-R243 HydrophobicContact CG1-CG 3.92Å
244L88.5Confident82.6Confident50 Ų5082.4 Ų82.426%0.26246%0.461SS..EExtended strand (participates in β ladder)trans-10690179.6-63.8-171.8000110.5V184 R185 G186 I188V184-L244 VanDerWaalsContact O-CD1 3.31Å; V184-L244 WeakPolarHBondContact O-CD1 3.23Å; R185-L244 CarbonylContact C-O 3.58Å; R185-L244 VanDerWaalsContact CA-O 3.3Å; R185-L244 WeakPolarHBondContact CA-O 3.49Å; R185-L244 WeakPolarHBondContact CB-O 3.22Å; R185-L244 WeakPolarHBondContact CD-O 3.34Å; G186-L244 PolarHBondContact N-O 3.38Å; G186-L244 PolarHBondContact O-N 3.04Å; I188-L244 HydrophobicContact CD1-CD1 4.1Å; I188-L244 HydrophobicContact CD1-CG 4.41Å
245A85.2Confident82.4Confident72 Ų7278.7 Ų78.760%0.59545%0.446SS*.PPolyproline II helixtrans-83.7167.8177.400000112.4R185R185-A245 WeakPolarHBondContact CD-O 3.44Å; R185-A245 PolarHBondContact NH1-O 2.91Å
246F82Confident82.4Confident32 Ų3280 Ų8014%0.1446%0.461CS..SBendtrans-73.3160.3162.9-71.4-85.6000110.5N77 L78 A164 R185 L248N77-F246 HydrophobicContact CB-CB 3.51Å; N77-F246 HydrophobicContact CB-CD1 4.42Å; N77-F246 HydrophobicContact CB-CD2 4.19Å; N77-F246 HydrophobicContact CB-CG 3.82Å; L78-F246 HydrophobicContact CD1-CE1 4.12Å; L78-F246 HydrophobicContact CD2-CD1 3.98Å; L78-F246 HydrophobicContact CD2-CE1 3.85Å; L78-F246 HydrophobicContact CG-CD1 4.27Å; L78-F246 HydrophobicContact CG-CE1 4Å; A164-F246 HydrophobicContact CB-CE2 4.46Å; A164-F246 HydrophobicContact CB-CZ 4.45Å; R185-F246 HydrophobicContact CB-CE2 4.47Å; R185-F246 HydrophobicContact CG-CE1 4.49Å; R185-F246 HydrophobicContact CG-CE2 4.4Å; R185-F246 HydrophobicContact CG-CZ 4.25Å; F246-L248 HydrophobicContact CD1-CD1 4.38Å; F246-L248 HydrophobicContact CD1-CG 4.05Å; F246-L248 HydrophobicContact CE1-CD1 3.98Å; F246-L248 HydrophobicContact CE1-CG 4.02Å
247P75.4Confident82.7Confident108 Ų10883.4 Ų83.470%0.70147%0.472SS*.SBendcis-74.41601.830.6-34.7000113.3
248L79.5Confident83.6Confident20 Ų2077.7 Ų77.711%0.10545%0.45CS..PPolyproline II helixtrans-71.4153.3171-69.5158000109.3L78 T111 V162 A183 R185 F246L78-L248 HydrophobicContact CD2-CD1 3.82Å; T111-L248 HydrophobicContact CG2-CD1 3.8Å; V162-L248 HydrophobicContact CG1-CD1 4.47Å; V162-L248 HydrophobicContact CG1-CD2 4.05Å; V162-L248 HydrophobicContact CG2-CD1 3.64Å; V162-L248 HydrophobicContact CG2-CD2 3.95Å; V162-L248 HydrophobicContact CG2-CG 4.49Å; A183-L248 HydrophobicContact CB-CD2 4.34Å; R185-L248 HydrophobicContact CG-CD2 4.33Å; F246-L248 HydrophobicContact CD1-CD1 4.38Å; F246-L248 HydrophobicContact CD1-CG 4.05Å; F246-L248 HydrophobicContact CE1-CD1 3.98Å; F246-L248 HydrophobicContact CE1-CG 4.02Å
249P80.6Confident84.2Confident75 Ų7573.9 Ų73.949%0.48741%0.411SS..PPolyproline II helixtrans-48.8148.9163.7-25.832.7000110.2R160 L251R160-P249 PolarHBondContact NH1-O 3.47Å; P249-L251 PolarHBondContact O-N 3.46Å
250P78.1Confident84.6Confident123 Ų12371 Ų7180%0.79939%0.394SS*.PPolyproline II helixtrans-53.4143.7176.721.1-30.8000110.3
251L74.1Confident84.8Confident42 Ų4268.6 Ų68.622%0.2238%0.379CS..PPolyproline II helixtrans-58.3150.5172.1-78.6169.1000108.9D107 L110 R160 P249D107-L251 HydrophobicContact CB-CD1 3.44Å; D107-L251 VanDerWaalsContact CB-CD1 3.44Å; L110-L251 HydrophobicContact CB-CD1 3.52Å; L110-L251 HydrophobicContact CB-CD2 4.46Å; L110-L251 HydrophobicContact CD1-CD1 4.15Å; L110-L251 HydrophobicContact CG-CD1 4.49Å; R160-L251 HydrophobicContact CB-CD2 3.93Å; P249-L251 PolarHBondContact O-N 3.46Å
252P67.1Low85.1Confident93 Ų9364.1 Ų64.160%0.60436%0.355SS*.PPolyproline II helixtrans-48.7161.1170.1-24.728.5000111.9R157R157-P252 PolarHBondContact NH1-O 3.24Å; R157-P252 PolarHBondContact NH2-O 3.15Å
253E65.5Low85.4Confident187 Ų18764.2 Ų64.287%0.87435%0.352SS*.PPolyproline II helixtrans-54.2144.8-179.2-71.9-178164.500112.2R157R157-E253 PolarHBondContact NH1-O 3.48Å
254E73.3Confident85.7Confident131 Ų13155.2 Ų55.261%0.61232%0.318SS*.PPolyproline II helixtrans-55.2161.2173.8-67-173.2165.700111.7G256 K309E254-G256 PolarHBondContact O-N 3.36Å; E254-K309 IonicContact OE2-NZ 2.8Å; E254-K309 PolarHBondContact OE2-NZ 3.1Å
255C80.8Confident86.2Confident24 Ų2452.9 Ų52.916%0.16231%0.306CS..  trans-56115.8170.2-179.30000109.2R257 K309 R379 V381C255-R257 PolarHBondContact O-N 2.95Å; C255-R257 PolarHBondContact SG-O 2.99Å; C255-K309 WeakPolarHBondContact O-CD 3.49Å; C255-K309 PolarHBondContact O-NZ 3.09Å; C255-R379 PolarHBondContact SG-O 3.14Å; C255-V381 HydrophobicContact CB-CG2 4.21Å
256G90.4Very high86.8Confident36 Ų3650.5 Ų50.537%0.37128%0.283SS..  trans-817.2-178.900000113.6E254 K309 Q310E254-G256 PolarHBondContact O-N 3.36Å; G256-K309 CarbonylContact O-C 3.55Å; G256-K309 WeakPolarHBondContact O-CA 3.18Å; G256-K309 WeakPolarHBondContact O-CB 3.29Å; G256-Q310 PolarHBondContact O-N 2.98Å
257R95.1Very high87.6Confident112 Ų11249 Ų4942%0.42328%0.276SS..EExtended strand (participates in β ladder)trans-122.4133-177.3-58.8-174.9179.9169.3-0.5111.2C255 F312 L378 A380 V381C255-R257 PolarHBondContact O-N 2.95Å; C255-R257 PolarHBondContact SG-O 2.99Å; R257-F312 HydrophobicContact CB-CD2 4.29Å; R257-F312 HydrophobicContact CB-CE2 3.95Å; R257-F312 HydrophobicContact CG-CE2 3.86Å; R257-L378 PolarHBondContact NH1-O 2.93Å; R257-A380 HydrophobicContact CB-CB 3.73Å; R257-A380 VanDerWaalsContact O-CA 3.31Å; R257-A380 WeakPolarHBondContact O-CA 3.48Å; R257-V381 PolarHBondContact O-N 3.48Å
258V96.7Very high88.7Confident1 Ų145.1 Ų45.11%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-127135.5179.2-177.40000109.5L260 F305 K309 Q310 L311 F312 V381 M383V258-L260 HydrophobicContact CG1-CD1 3.96Å; V258-F305 HydrophobicContact CG1-CD1 4.47Å; V258-F305 HydrophobicContact CG1-CE1 4.04Å; V258-F305 HydrophobicContact CG2-CD1 4.31Å; V258-F305 HydrophobicContact CG2-CE1 3.79Å; V258-K309 HydrophobicContact CG2-CB 3.84Å; V258-K309 HydrophobicContact CG2-CD 3.37Å; V258-K309 HydrophobicContact CG2-CG 4.23Å; V258-Q310 PolarHBondContact N-O 2.89Å; V258-L311 HydrophobicContact CB-CD2 4.06Å; V258-L311 HydrophobicContact CG2-CD2 4.48Å; V258-F312 PolarHBondContact O-N 3.09Å; V258-V381 WeakPolarHBondContact CA-O 3.38Å; V258-M383 HydrophobicContact CG1-CG 3.5Å; V258-M383 HydrophobicContact CG1-SD 3.46Å; V258-M383 WeakPolarHBondContact CG1-SD 3.39Å
259N97.9Very high89.6Confident0 Ų044.1 Ų44.10%024%0.243CC..EExtended strand (participates in β ladder)trans-108.7122.3174174.556000109.1F312 I371 G375 A380 V381 T382 M383N259-F312 CarbonylContact C-O 3.43Å; N259-F312 WeakPolarHBondContact CA-O 3.17Å; N259-I371 PolarHBondContact ND2-O 3.11Å; N259-G375 WeakPolarHBondContact ND2-CA 3.37Å; N259-A380 HydrophobicContact CB-CB 3.95Å; N259-V381 PolarHBondContact N-O 3.25Å; N259-T382 PolarHBondContact ND2-OG1 2.98Å; N259-T382 VanDerWaalsContact ND2-OG1 3.11Å; N259-T382 CarbonylContact O-C 3.6Å; N259-T382 VanDerWaalsContact O-CA 3.26Å; N259-T382 WeakPolarHBondContact O-CA 3.39Å; N259-M383 PolarHBondContact O-N 3.3Å
260L98.3Very high90.4Very high0 Ų040.6 Ų40.60%022%0.219CC..EExtended strand (participates in β ladder)trans-92.3117.1-176.8-76.574.1000110V258 T264 L265 M306 L311 F312 L340 L344V258-L260 HydrophobicContact CG1-CD1 3.96Å; L260-T264 HydrophobicContact CD2-CG2 4.39Å; L260-T264 HydrophobicContact CG-CG2 4.27Å; L260-L265 HydrophobicContact CB-CD2 3.84Å; L260-L265 HydrophobicContact CB-CG 4.18Å; L260-L265 HydrophobicContact CD2-CD2 3.7Å; L260-L265 HydrophobicContact CG-CD2 4.45Å; L260-M306 HydrophobicContact CD1-SD 4.46Å; L260-M306 HydrophobicContact CD2-SD 4.16Å; L260-L311 HydrophobicContact CD1-CB 4.06Å; L260-L311 HydrophobicContact CD1-CD2 4.29Å; L260-F312 PolarHBondContact N-O 3.05Å; L260-L340 HydrophobicContact CD2-CD1 4.4Å; L260-L344 HydrophobicContact CD1-CD2 4.16Å; L260-L344 HydrophobicContact CD2-CD2 4.01Å
261D97.9Very high91.4Very high5 Ų534.8 Ų34.83%0.02718%0.182CC..  trans-71160.1168-179.332.2000110.9T263 T264 L265 I371 T382 M383 T384D261-T263 PolarHBondContact O-N 3.36Å; D261-T263 PolarHBondContact OD2-OG1 3.47Å; D261-T264 WeakPolarHBondContact O-CA 3.42Å; D261-T264 WeakPolarHBondContact O-CB 3.26Å; D261-T264 PolarHBondContact O-N 3.44Å; D261-L265 WeakPolarHBondContact O-CG 3.44Å; D261-L265 PolarHBondContact O-N 3.33Å; D261-I371 HydrophobicContact CB-CG2 4.1Å; D261-I371 WeakPolarHBondContact OD1-CD1 3.38Å; D261-T382 HydrophobicContact CB-CG2 4.4Å; D261-M383 WeakPolarHBondContact CB-O 3.16Å; D261-M383 PolarHBondContact N-O 3.22Å; D261-M383 VanDerWaalsContact N-O 3.1Å; D261-T384 PolarHBondContact OD2-OG1 2.86Å
262I97.5Very high92.5Very high8 Ų832.8 Ų32.84%0.04117%0.171CC..Hα-helixtrans-51.3-42.7175.3-62.2159.6000110.7T264 L265 I266 A317 D320 F321 I324 R367 I371I262-T264 VanDerWaalsContact C-N 3.27Å; I262-T264 PolarHBondContact O-N 3.29Å; I262-L265 PolarHBondContact O-N 3.05Å; I262-I266 HydrophobicContact CG2-CD1 3.78Å; I262-I266 HydrophobicContact CG2-CG1 4.3Å; I262-I266 VanDerWaalsContact O-CG1 3.26Å; I262-I266 WeakPolarHBondContact O-CG1 3.4Å; I262-I266 PolarHBondContact O-N 3.37Å; I262-A317 HydrophobicContact CG1-CB 4.17Å; I262-A317 WeakPolarHBondContact CG1-O 3.49Å; I262-D320 HydrophobicContact CD1-CB 3.52Å; I262-D320 HydrophobicContact CG1-CB 4.13Å; I262-F321 HydrophobicContact CG2-CB 4.43Å; I262-I324 HydrophobicContact CG2-CD1 3.86Å; I262-R367 HydrophobicContact CD1-CG 4.18Å; I262-I371 HydrophobicContact CD1-CD1 3.56Å; I262-I371 HydrophobicContact CG1-CD1 3.84Å
263T97.5Very high93.9Very high41 Ų4128.8 Ų28.825%0.25215%0.146SC..Hα-helixtrans-65.2-31.4-178.958.10000112.9D261 A267 T384 A385D261-T263 PolarHBondContact O-N 3.36Å; D261-T263 PolarHBondContact OD2-OG1 3.47Å; T263-A267 VanDerWaalsContact O-CB 3.31Å; T263-A267 WeakPolarHBondContact O-CB 3.49Å; T263-A267 PolarHBondContact O-N 2.98Å; T263-T384 PolarHBondContact OG1-OG1 2.95Å; T263-A385 PolarHBondContact OG1-N 3.04Å
264T98.4Very high95.4Very high0 Ų023.3 Ų23.30%012%0.12CC..Hα-helixtrans-74.3-44.6172.7-550000111.2L260 D261 I262 I266 A267 Y268 L302 M383 T384 H405L260-T264 HydrophobicContact CD2-CG2 4.39Å; L260-T264 HydrophobicContact CG-CG2 4.27Å; D261-T264 WeakPolarHBondContact O-CA 3.42Å; D261-T264 WeakPolarHBondContact O-CB 3.26Å; D261-T264 PolarHBondContact O-N 3.44Å; I262-T264 VanDerWaalsContact C-N 3.27Å; I262-T264 PolarHBondContact O-N 3.29Å; T264-I266 VanDerWaalsContact C-N 3.28Å; T264-I266 PolarHBondContact O-N 3.49Å; T264-A267 PolarHBondContact O-N 3.31Å; T264-Y268 VanDerWaalsContact O-CB 3.26Å; T264-Y268 WeakPolarHBondContact O-CB 3.47Å; T264-Y268 PolarHBondContact O-N 3.3Å; T264-L302 HydrophobicContact CG2-CD2 4.36Å; T264-M383 HydrophobicContact CG2-CB 3.75Å; T264-M383 HydrophobicContact CG2-CE 4.4Å; T264-M383 HydrophobicContact CG2-SD 4.21Å; T264-M383 WeakPolarHBondContact OG1-CB 3.33Å; T264-M383 PolarHBondContact OG1-O 3.33Å; T264-T384 WeakPolarHBondContact OG1-CA 3.48Å; T264-T384 PolarHBondContact OG1-N 3.35Å; T264-H405 VanDerWaalsContact CA-NE2 3.33Å; T264-H405 WeakPolarHBondContact CA-NE2 3.25Å; T264-H405 WeakPolarHBondContact CB-NE2 3.35Å; T264-H405 PolarHBondContact OG1-CD2 3.04Å; T264-H405 PolarHBondContact OG1-NE2 3.12Å
265L98.4Very high96.4Very high0 Ų019.4 Ų19.40%012%0.115CC..Hα-helixtrans-55.7-45.3175.3-64174.7000110.9L260 D261 I262 V269 F321 L340 L344L260-L265 HydrophobicContact CB-CD2 3.84Å; L260-L265 HydrophobicContact CB-CG 4.18Å; L260-L265 HydrophobicContact CD2-CD2 3.7Å; L260-L265 HydrophobicContact CG-CD2 4.45Å; D261-L265 WeakPolarHBondContact O-CG 3.44Å; D261-L265 PolarHBondContact O-N 3.33Å; I262-L265 PolarHBondContact O-N 3.05Å; L265-V269 WeakPolarHBondContact O-CG1 3.45Å; L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 3.09Å; L265-F321 HydrophobicContact CB-CB 4.35Å; L265-F321 HydrophobicContact CB-CD1 4.12Å; L265-F321 HydrophobicContact CB-CD2 3.59Å; L265-F321 HydrophobicContact CB-CE1 4.31Å; L265-F321 HydrophobicContact CB-CE2 3.82Å; L265-F321 HydrophobicContact CB-CG 3.75Å; L265-F321 HydrophobicContact CB-CZ 4.16Å; L265-F321 HydrophobicContact CD1-CB 3.76Å; L265-F321 HydrophobicContact CD1-CD1 3.99Å; L265-F321 HydrophobicContact CD1-CG 3.83Å; L265-F321 HydrophobicContact CG-CG 4.42Å; L265-L340 HydrophobicContact CD2-CD2 3.73Å; L265-L340 HydrophobicContact CD2-CG 4.47Å; L265-L344 HydrophobicContact CD2-CD1 3.73Å
266I98.5Very high97.1Very high22 Ų2223.8 Ų23.811%0.11313%0.128CC..Hα-helixtrans-63.3-52.1176-67170.6000111I262 T264 Y268 V269 S270 F321 I324 R408 L410I262-I266 HydrophobicContact CG2-CD1 3.78Å; I262-I266 HydrophobicContact CG2-CG1 4.3Å; I262-I266 VanDerWaalsContact O-CG1 3.26Å; I262-I266 WeakPolarHBondContact O-CG1 3.4Å; I262-I266 PolarHBondContact O-N 3.37Å; T264-I266 VanDerWaalsContact C-N 3.28Å; T264-I266 PolarHBondContact O-N 3.49Å; I266-Y268 VanDerWaalsContact C-N 3.26Å; I266-Y268 PolarHBondContact O-N 3.17Å; I266-V269 PolarHBondContact O-N 2.75Å; I266-S270 WeakPolarHBondContact O-CB 3.42Å; I266-S270 PolarHBondContact O-N 2.84Å; I266-F321 HydrophobicContact CG1-CD2 3.85Å; I266-F321 HydrophobicContact CG1-CE2 4.12Å; I266-I324 HydrophobicContact CD1-CD1 3.93Å; I266-I324 HydrophobicContact CD1-CG2 4.02Å; I266-R408 VanDerWaalsContact CG2-O 3.23Å; I266-R408 WeakPolarHBondContact CG2-O 3.33Å; I266-L410 HydrophobicContact CG2-CD2 3.87Å; I266-L410 HydrophobicContact CG2-CG 3.91Å
267A98.3Very high97.3Very high0 Ų022.5 Ų22.50%011%0.114CC..Hα-helixtrans-62.5-37.8-176.300000111.9T263 T264 V269 S273 R408T263-A267 VanDerWaalsContact O-CB 3.31Å; T263-A267 WeakPolarHBondContact O-CB 3.49Å; T263-A267 PolarHBondContact O-N 2.98Å; T264-A267 PolarHBondContact O-N 3.31Å; A267-V269 VanDerWaalsContact C-N 3.28Å; A267-V269 PolarHBondContact O-N 3.05Å; A267-S273 WeakPolarHBondContact O-CB 3.46Å; A267-S273 PolarHBondContact O-OG 2.88Å; A267-R408 HydrophobicContact CB-CB 4.04Å; A267-R408 HydrophobicContact CB-CG 4.44Å
268Y98.4Very high97.4Very high27 Ų2722.1 Ų22.111%0.10612%0.117CC..Hα-helixtrans-69.8-21.1179.7-164.2-93.9000113.6T264 I266 H274 L299 L302 D303 M306 L340 R343T264-Y268 VanDerWaalsContact O-CB 3.26Å; T264-Y268 WeakPolarHBondContact O-CB 3.47Å; T264-Y268 PolarHBondContact O-N 3.3Å; I266-Y268 VanDerWaalsContact C-N 3.26Å; I266-Y268 PolarHBondContact O-N 3.17Å; Y268-H274 PolarHBondContact O-CE1 3.25Å; Y268-L299 HydrophobicContact CD2-CD2 3.76Å; Y268-L299 HydrophobicContact CE2-CD2 3.97Å; Y268-L299 HydrophobicContact CG-CD2 4.29Å; Y268-L302 HydrophobicContact CD2-CB 4.05Å; Y268-L302 HydrophobicContact CD2-CD1 3.87Å; Y268-L302 HydrophobicContact CE2-CB 4.31Å; Y268-D303 WeakPolarHBondContact CE2-OD1 3.36Å; Y268-D303 PolarHBondContact OH-OD1 2.84Å; Y268-M306 HydrophobicContact CD2-CE 3.59Å; Y268-M306 HydrophobicContact CE2-CE 3.19Å; Y268-M306 HydrophobicContact CG-CE 4.46Å; Y268-L340 HydrophobicContact CD1-CB 4.46Å; Y268-L340 HydrophobicContact CD1-CD1 3.78Å; Y268-L340 HydrophobicContact CD1-CD2 3.78Å; Y268-L340 HydrophobicContact CD1-CG 4.2Å; Y268-L340 HydrophobicContact CE1-CD1 3.86Å; Y268-L340 HydrophobicContact CG-CD2 4.33Å; Y268-R343 PolarHBondContact OH-NH1 3.04Å
269V98.4Very high97.4Very high0 Ų023.4 Ų23.40%012%0.122CC..Hα-helixtrans-108.8-12.3178.6-52.60000113L265 I266 A267 F321 R336 A337 L340 L410L265-V269 WeakPolarHBondContact O-CG1 3.45Å; L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 3.09Å; I266-V269 PolarHBondContact O-N 2.75Å; A267-V269 VanDerWaalsContact C-N 3.28Å; A267-V269 PolarHBondContact O-N 3.05Å; V269-F321 HydrophobicContact CG1-CZ 4.26Å; V269-F321 HydrophobicContact CG2-CE2 3.95Å; V269-F321 HydrophobicContact CG2-CZ 3.89Å; V269-R336 HydrophobicContact CB-CB 4.14Å; V269-R336 HydrophobicContact CG1-CB 4.33Å; V269-R336 VanDerWaalsContact O-CZ 3.26Å; V269-R336 PolarHBondContact O-NE 3.03Å; V269-R336 PolarHBondContact O-NH2 2.8Å; V269-A337 HydrophobicContact CG1-CB 4.12Å; V269-L340 HydrophobicContact CG1-CB 4.35Å; V269-L340 HydrophobicContact CG1-CD2 3.86Å; V269-L410 HydrophobicContact CG2-CD2 3.84Å
270S98.4Very high97.3Very high0 Ų025.7 Ų25.70%014%0.138CC..  trans-51.1137.6-177.4170.70000112.2I266 L272 S273 H274 A409I266-S270 WeakPolarHBondContact O-CB 3.42Å; I266-S270 PolarHBondContact O-N 2.84Å; S270-L272 PolarHBondContact O-N 2.76Å; S270-L272 WeakPolarHBondContact OG-CB 2.86Å; S270-L272 PolarHBondContact OG-N 3.02Å; S270-L272 VanDerWaalsContact OG-N 3.12Å; S270-S273 WeakPolarHBondContact O-CB 3.5Å; S270-S273 PolarHBondContact O-N 3.15Å; S270-S273 VanDerWaalsContact O-N 3.16Å; S270-H274 PolarHBondContact O-N 3.1Å; S270-H274 PolarHBondContact O-ND1 3.43Å; S270-A409 WeakPolarHBondContact CB-O 3.34Å; S270-A409 PolarHBondContact OG-O 3.27Å
271A97.9Very high97.2Very high1 Ų126.2 Ų26.21%0.00814%0.14CC..THydrogen-bonded Turntrans-59-34.9172.400000112.3S273 H274 R276 E333 E412A271-S273 PolarHBondContact O-N 2.94Å; A271-H274 CarbonylContact O-C 3.6Å; A271-H274 PolarHBondContact O-N 2.9Å; A271-R276 HydrophobicContact CB-CB 3.89Å; A271-R276 HydrophobicContact CB-CG 3.92Å; A271-R276 WeakPolarHBondContact O-CA 3.14Å; A271-R276 VanDerWaalsContact O-CB 3.22Å; A271-R276 WeakPolarHBondContact O-CB 3.5Å; A271-R276 PolarHBondContact O-N 3.11Å; A271-E333 HydrophobicContact CB-CG 4.12Å; A271-E333 WeakPolarHBondContact CB-OE1 3.32Å; A271-E333 PolarHBondContact N-OE1 3.36Å; A271-E412 HydrophobicContact CB-CB 3.97Å
272L97.4Very high97Very high0 Ų034.7 Ų34.70%017%0.172CC..G310 helixtrans-52.1-48.1174.4-64.8-179.8000110.8S270 H274 G275 C277 F281 Q289 A290 E293 R408 T411S270-L272 PolarHBondContact O-N 2.76Å; S270-L272 WeakPolarHBondContact OG-CB 2.86Å; S270-L272 PolarHBondContact OG-N 3.02Å; S270-L272 VanDerWaalsContact OG-N 3.12Å; L272-H274 PolarHBondContact O-N 2.94Å; L272-G275 PolarHBondContact O-N 3.04Å; L272-C277 HydrophobicContact CD2-CB 4.44Å; L272-F281 HydrophobicContact CD2-CE2 3.89Å; L272-F281 HydrophobicContact CD2-CZ 4.14Å; L272-Q289 HydrophobicContact CD1-CB 3.89Å; L272-A290 HydrophobicContact CD2-CB 3.76Å; L272-E293 WeakPolarHBondContact O-CG 3.36Å; L272-R408 HydrophobicContact CD1-CB 4.46Å; L272-T411 HydrophobicContact CD1-CG2 3.79Å; L272-T411 HydrophobicContact CD2-CG2 3.86Å; L272-T411 HydrophobicContact CG-CG2 3.64Å
273S97.6Very high97Very high9 Ų937.8 Ų37.86%0.06319%0.186CC..G310 helixtrans-68.9-14.8-178.3-63.10000113.9A267 S270 A271 E293 V298 L299A267-S273 WeakPolarHBondContact O-CB 3.46Å; A267-S273 PolarHBondContact O-OG 2.88Å; S270-S273 WeakPolarHBondContact O-CB 3.5Å; S270-S273 PolarHBondContact O-N 3.15Å; S270-S273 VanDerWaalsContact O-N 3.16Å; A271-S273 PolarHBondContact O-N 2.94Å; S273-E293 WeakPolarHBondContact CA-OE1 3.38Å; S273-V298 WeakPolarHBondContact OG-CG1 3.43Å; S273-L299 WeakPolarHBondContact O-CD1 3.28Å
274H97.4Very high96.9Very high72 Ų7240.8 Ų40.833%0.33321%0.206SC..G310 helixtrans-111.837.7-179.3-63.676.6000111.7Y268 S270 A271 L272 R276 L299 R336Y268-H274 PolarHBondContact O-CE1 3.25Å; S270-H274 PolarHBondContact O-N 3.1Å; S270-H274 PolarHBondContact O-ND1 3.43Å; A271-H274 CarbonylContact O-C 3.6Å; A271-H274 PolarHBondContact O-N 2.9Å; L272-H274 PolarHBondContact O-N 2.94Å; H274-R276 VanDerWaalsContact C-N 3.32Å; H274-R276 PolarHBondContact O-N 3.44Å; H274-L299 WeakPolarHBondContact NE2-CD1 3.36Å; H274-R336 WeakPolarHBondContact CD2-CD 3.04Å; H274-R336 PolarHBondContact ND1-NE 2.89Å; H274-R336 VanDerWaalsContact NE2-CD 3.31Å; H274-R336 WeakPolarHBondContact NE2-CD 3.46Å
275G93.3Very high96.8Very high50 Ų5045 Ų4552%0.51523%0.232SC..THydrogen-bonded Turntrans83.3-1.8173.300000115.2L272 C277L272-G275 PolarHBondContact O-N 3.04Å; G275-C277 PolarHBondContact O-N 3.44Å; G275-C277 VanDerWaalsContact O-N 3.14Å
276R95.2Very high96.7Very high115 Ų11545.6 Ų45.643%0.43424%0.235SC..  trans-85.234.5173.4-49.9-69.6-72.3179.6-5112.4A271 H274 F279 E415A271-R276 HydrophobicContact CB-CB 3.89Å; A271-R276 HydrophobicContact CB-CG 3.92Å; A271-R276 WeakPolarHBondContact O-CA 3.14Å; A271-R276 VanDerWaalsContact O-CB 3.22Å; A271-R276 WeakPolarHBondContact O-CB 3.5Å; A271-R276 PolarHBondContact O-N 3.11Å; H274-R276 VanDerWaalsContact C-N 3.32Å; H274-R276 PolarHBondContact O-N 3.44Å; R276-F279 HydrophobicContact CB-CE2 4.39Å; R276-E415 VanDerWaalsContact CB-OE1 3.25Å; R276-E415 WeakPolarHBondContact CB-OE1 3.44Å; R276-E415 IonicContact CZ-OE2 3.25Å; R276-E415 IonicContact NE-OE1 3.71Å; R276-E415 PolarHBondContact NE-OE1 3.21Å; R276-E415 IonicContact NE-OE2 3.16Å; R276-E415 PolarHBondContact NE-OE2 2.94Å; R276-E415 IonicContact NH2-OE2 3.88Å; R276-E415 PolarHBondContact NH2-OE2 3.12Å
277C95.9Very high96.7Very high10 Ų1046.1 Ų46.17%0.06824%0.239CC..  trans-95.57.3179.161.30000113.7L272 G275 F279 A290 E293 R294L272-C277 HydrophobicContact CD2-CB 4.44Å; G275-C277 PolarHBondContact O-N 3.44Å; G275-C277 VanDerWaalsContact O-N 3.14Å; C277-F279 VanDerWaalsContact C-N 3.34Å; C277-F279 PolarHBondContact O-N 3.4Å; C277-A290 HydrophobicContact CB-CB 4.4Å; C277-E293 HydrophobicContact CB-CB 3.93Å; C277-E293 HydrophobicContact CB-CG 4.04Å; C277-R294 HydrophobicContact CB-CG 4.1Å; C277-R294 PolarHBondContact O-NH1 3.31Å; C277-R294 WeakPolarHBondContact SG-CG 3.47Å
278H96.6Very high96.6Very high104 Ų10451.5 Ų51.548%0.48126%0.264SS..SBendtrans-97.339.1178.6-67.9-90000113.1I421H278-I421 PolarHBondContact O-N 2.93Å
279F95.3Very high96.6Very high27 Ų2751.4 Ų51.412%0.11827%0.265CS..EExtended strand (participates in β ladder)trans-126.3148.5177.9-68.4-80000111.2R276 C277 F281 A418 T419 P420R276-F279 HydrophobicContact CB-CE2 4.39Å; C277-F279 VanDerWaalsContact C-N 3.34Å; C277-F279 PolarHBondContact O-N 3.4Å; F279-F281 HydrophobicContact CB-CD2 4.44Å; F279-F281 HydrophobicContact CB-CE1 4.44Å; F279-F281 HydrophobicContact CB-CE2 3.85Å; F279-F281 HydrophobicContact CB-CZ 3.85Å; F279-A418 HydrophobicContact CB-CB 4Å; F279-A418 HydrophobicContact CD1-CB 4.05Å; F279-A418 HydrophobicContact CG-CB 4.29Å; F279-T419 CarbonylContact C-O 3.57Å; F279-T419 WeakPolarHBondContact CA-O 3.38Å; F279-P420 HydrophobicContact CD1-CG 4.33Å; F279-P420 HydrophobicContact CE1-CB 4.39Å; F279-P420 HydrophobicContact CE1-CG 4Å
280S96.2Very high96.6Very high48 Ų4851.4 Ų51.434%0.33627%0.265SS..EExtended strand (participates in β ladder)trans-100.3118162.6-171.40000108.8A418 T419S280-A418 WeakPolarHBondContact O-CA 3.44Å; S280-A418 WeakPolarHBondContact O-CB 3.35Å; S280-T419 PolarHBondContact N-O 2.87Å; S280-T419 PolarHBondContact O-N 2.9Å
281F96.1Very high96.5Very high11 Ų1153.3 Ų53.35%0.04828%0.281CS..  trans-92.3160179.5-61.8-87.7000110.7L272 F279 E283 L286 T287 A290 T411 K414 E415 A418L272-F281 HydrophobicContact CD2-CE2 3.89Å; L272-F281 HydrophobicContact CD2-CZ 4.14Å; F279-F281 HydrophobicContact CB-CD2 4.44Å; F279-F281 HydrophobicContact CB-CE1 4.44Å; F279-F281 HydrophobicContact CB-CE2 3.85Å; F279-F281 HydrophobicContact CB-CZ 3.85Å; F281-E283 VanDerWaalsContact C-N 3.25Å; F281-E283 PolarHBondContact O-N 3.48Å; F281-L286 HydrophobicContact CB-CB 3.73Å; F281-L286 HydrophobicContact CB-CD1 4.32Å; F281-L286 HydrophobicContact CD1-CD1 4.41Å; F281-L286 HydrophobicContact CD2-CB 3.77Å; F281-L286 HydrophobicContact CG-CB 3.77Å; F281-L286 HydrophobicContact CG-CD1 4.33Å; F281-T287 PolarHBondContact N-OG1 3.27Å; F281-T287 PolarHBondContact O-OG1 3.32Å; F281-T287 VanDerWaalsContact O-OG1 3.07Å; F281-A290 HydrophobicContact CE2-CB 4.19Å; F281-T411 HydrophobicContact CE1-CG2 4.14Å; F281-T411 HydrophobicContact CE2-CG2 4.26Å; F281-T411 HydrophobicContact CZ-CG2 3.87Å; F281-K414 HydrophobicContact CD1-CB 4.36Å; F281-E415 HydrophobicContact CE1-CG 4.12Å; F281-E415 HydrophobicContact CZ-CG 4.46Å; F281-A418 HydrophobicContact CD1-CB 3.79Å; F281-A418 HydrophobicContact CE1-CB 3.98Å; F281-A418 HydrophobicContact CG-CB 4.38Å
282R95.4Very high96.5Very high184 Ų18455.8 Ų55.869%0.69429%0.292SS*.SBendtrans-64.7-33.8174.6-68.9-170.2178-164.4-1.6111.9P284R282-P284 WeakPolarHBondContact O-CD 3.26Å
283E96Very high96.5Very high72 Ų7256.1 Ų56.134%0.33629%0.294SS..SBendtrans-81.5116.3175.8-6188.4158.600110.4F281 V285 L286 T287 K414F281-E283 VanDerWaalsContact C-N 3.25Å; F281-E283 PolarHBondContact O-N 3.48Å; E283-V285 PolarHBondContact O-N 3.4Å; E283-V285 VanDerWaalsContact O-N 3.12Å; E283-L286 HydrophobicContact CB-CB 4.39Å; E283-L286 HydrophobicContact CB-CD1 4.01Å; E283-L286 HydrophobicContact CB-CG 3.93Å; E283-L286 HydrophobicContact CG-CD1 4.37Å; E283-L286 PolarHBondContact O-N 3.42Å; E283-T287 PolarHBondContact O-N 3.49Å; E283-K414 WeakPolarHBondContact OE1-CE 3.37Å; E283-K414 IonicContact OE1-NZ 2.62Å; E283-K414 PolarHBondContact OE1-NZ 2.89Å
284P96.1Very high96.5Very high104 Ų10460.4 Ų60.468%0.67531%0.309SS*.Hα-helixtrans-56.4-35.5-176.4-27.735.8000113.7R282 L286 T287 E288R282-P284 WeakPolarHBondContact O-CD 3.26Å; P284-L286 VanDerWaalsContact C-N 3.3Å; P284-L286 PolarHBondContact O-N 3.08Å; P284-T287 PolarHBondContact O-N 2.99Å; P284-E288 PolarHBondContact O-N 2.94Å
285V96.6Very high96.5Very high88 Ų8865.7 Ų65.753%0.53333%0.326SS..Hα-helixtrans-63.4-35.1179.2179.20000112E283 Q289E283-V285 PolarHBondContact O-N 3.4Å; E283-V285 VanDerWaalsContact O-N 3.12Å; V285-Q289 WeakPolarHBondContact O-CG 3.21Å; V285-Q289 PolarHBondContact O-N 3.29Å
286L96.8Very high96.6Very high14 Ų1471.6 Ų71.67%0.07333%0.332CS..Hα-helixtrans-73.3-39.8178-61.4-176.1000110.9F281 E283 P284 E288 Q289 A290 A409 T411 K414F281-L286 HydrophobicContact CB-CB 3.73Å; F281-L286 HydrophobicContact CB-CD1 4.32Å; F281-L286 HydrophobicContact CD1-CD1 4.41Å; F281-L286 HydrophobicContact CD2-CB 3.77Å; F281-L286 HydrophobicContact CG-CB 3.77Å; F281-L286 HydrophobicContact CG-CD1 4.33Å; E283-L286 HydrophobicContact CB-CB 4.39Å; E283-L286 HydrophobicContact CB-CD1 4.01Å; E283-L286 HydrophobicContact CB-CG 3.93Å; E283-L286 HydrophobicContact CG-CD1 4.37Å; E283-L286 PolarHBondContact O-N 3.42Å; P284-L286 VanDerWaalsContact C-N 3.3Å; P284-L286 PolarHBondContact O-N 3.08Å; L286-E288 VanDerWaalsContact C-N 3.31Å; L286-E288 PolarHBondContact O-N 3.48Å; L286-Q289 PolarHBondContact O-N 2.73Å; L286-A290 WeakPolarHBondContact O-CB 3.42Å; L286-A290 PolarHBondContact O-N 3.44Å; L286-A409 HydrophobicContact CD2-CB 3.47Å; L286-A409 VanDerWaalsContact CD2-CB 3.47Å; L286-T411 HydrophobicContact CD1-CG2 4.37Å; L286-T411 HydrophobicContact CD2-CG2 4.19Å; L286-K414 HydrophobicContact CD1-CD 3.73Å
287T97.2Very high96.7Very high33 Ų3369.7 Ų69.720%0.20234%0.335CS..Hα-helixtrans-61.4-40.3172.9-58.20000111.5F281 E283 P284 A290 A291F281-T287 PolarHBondContact N-OG1 3.27Å; F281-T287 PolarHBondContact O-OG1 3.32Å; F281-T287 VanDerWaalsContact O-OG1 3.07Å; E283-T287 PolarHBondContact O-N 3.49Å; P284-T287 PolarHBondContact O-N 2.99Å; T287-A290 PolarHBondContact O-N 3.18Å; T287-A291 WeakPolarHBondContact O-CB 3.21Å; T287-A291 PolarHBondContact O-N 2.8Å
288E97.3Very high96.8Very high113 Ų11369.7 Ų69.753%0.52833%0.334SS..Hα-helixtrans-63.2-47.4174.5-168.2-170.9165.500111.5P284 L286 A290 A291 Q292P284-E288 PolarHBondContact O-N 2.94Å; L286-E288 VanDerWaalsContact C-N 3.31Å; L286-E288 PolarHBondContact O-N 3.48Å; E288-A290 VanDerWaalsContact C-N 3.32Å; E288-A290 PolarHBondContact O-N 2.96Å; E288-A291 PolarHBondContact O-N 2.93Å; E288-Q292 WeakPolarHBondContact O-CG 3.5Å; E288-Q292 PolarHBondContact O-N 3.27Å; E288-Q292 PolarHBondContact OE1-NE2 3.16Å
289Q97.8Very high96.8Very high24 Ų2466 Ų6611%0.11232%0.318CS..Hα-helixtrans-62.7-37.6177.2-73.5179.611.700112.6L272 V285 L286 Q292 E293L272-Q289 HydrophobicContact CD1-CB 3.89Å; V285-Q289 WeakPolarHBondContact O-CG 3.21Å; V285-Q289 PolarHBondContact O-N 3.29Å; L286-Q289 PolarHBondContact O-N 2.73Å; Q289-Q292 PolarHBondContact O-N 3.16Å; Q289-E293 PolarHBondContact O-N 3.25Å
290A97.7Very high96.9Very high0 Ų068.7 Ų68.70%034%0.339CS..Hα-helixtrans-63.3-43173.800000111.5L272 C277 F281 L286 T287 E288 E293 R294L272-A290 HydrophobicContact CD2-CB 3.76Å; C277-A290 HydrophobicContact CB-CB 4.4Å; F281-A290 HydrophobicContact CE2-CB 4.19Å; L286-A290 WeakPolarHBondContact O-CB 3.42Å; L286-A290 PolarHBondContact O-N 3.44Å; T287-A290 PolarHBondContact O-N 3.18Å; E288-A290 VanDerWaalsContact C-N 3.32Å; E288-A290 PolarHBondContact O-N 2.96Å; A290-E293 PolarHBondContact O-N 3.05Å; A290-R294 WeakPolarHBondContact O-CG 3.4Å; A290-R294 PolarHBondContact O-N 3.13Å; A290-R294 VanDerWaalsContact O-N 3.1Å; A290-R294 PolarHBondContact O-NH1 2.92Å
291A97.4Very high96.9Very high40 Ų4069.4 Ų69.433%0.33134%0.343SS..Hα-helixtrans-64-39.8174.500000112.6T287 E288 R294 R295T287-A291 WeakPolarHBondContact O-CB 3.21Å; T287-A291 PolarHBondContact O-N 2.8Å; E288-A291 PolarHBondContact O-N 2.93Å; A291-R294 PolarHBondContact O-N 3.33Å; A291-R295 PolarHBondContact O-N 2.68Å
292Q96.9Very high96.9Very high53 Ų5368.9 Ų68.925%0.24834%0.341CS..Hα-helixtrans-62.6-41.9173.6-70.617413.900111.5E288 Q289 R294 R295 W296E288-Q292 WeakPolarHBondContact O-CG 3.5Å; E288-Q292 PolarHBondContact O-N 3.27Å; E288-Q292 PolarHBondContact OE1-NE2 3.16Å; Q289-Q292 PolarHBondContact O-N 3.16Å; Q292-R294 PolarHBondContact O-N 3.44Å; Q292-R295 PolarHBondContact O-N 3.25Å; Q292-R295 VanDerWaalsContact O-N 3.15Å; Q292-W296 PolarHBondContact O-N 3.42Å
293E97.9Very high97Very high8 Ų863.2 Ų63.24%0.03733%0.325CS..Hα-helixtrans-64.9-38.4179.3-17160.4-172.300112.6L272 S273 C277 Q289 A290 R295 W296 P297 V298 R408L272-E293 WeakPolarHBondContact O-CG 3.36Å; S273-E293 WeakPolarHBondContact CA-OE1 3.38Å; C277-E293 HydrophobicContact CB-CB 3.93Å; C277-E293 HydrophobicContact CB-CG 4.04Å; Q289-E293 PolarHBondContact O-N 3.25Å; A290-E293 PolarHBondContact O-N 3.05Å; E293-R295 PolarHBondContact O-N 3.02Å; E293-W296 CarbonylContact O-C 3.48Å; E293-P297 WeakPolarHBondContact O-CA 3.35Å; E293-P297 WeakPolarHBondContact OE1-CA 3.5Å; E293-V298 PolarHBondContact OE1-N 3.25Å; E293-V298 PolarHBondContact OE2-N 3.43Å; E293-V298 VanDerWaalsContact OE2-N 3.11Å; E293-R408 IonicContact OE2-CZ 3.79Å; E293-R408 IonicContact OE2-NE 2.76Å; E293-R408 PolarHBondContact OE2-NE 2.68Å; E293-R408 IonicContact OE2-NH2 3.67Å; E293-R408 PolarHBondContact OE2-NH2 3.44Å
294R97.2Very high96.9Very high99 Ų9963.3 Ų63.337%0.37434%0.338SS..Hα-helixtrans-62.2-30.5173.7-68.1-170.5-53.2-90.66.5112.9C277 A290 A291 Q292C277-R294 HydrophobicContact CB-CG 4.1Å; C277-R294 PolarHBondContact O-NH1 3.31Å; C277-R294 WeakPolarHBondContact SG-CG 3.47Å; A290-R294 WeakPolarHBondContact O-CG 3.4Å; A290-R294 PolarHBondContact O-N 3.13Å; A290-R294 VanDerWaalsContact O-N 3.1Å; A290-R294 PolarHBondContact O-NH1 2.92Å; A291-R294 PolarHBondContact O-N 3.33Å; Q292-R294 PolarHBondContact O-N 3.44Å
295R96.7Very high96.8Very high183 Ų18360 Ų6069%0.69131%0.313SS*.Hα-helixtrans-89.1-38.9-179.2-168.4176.8175.8167.60.5112.6A291 Q292 E293A291-R295 PolarHBondContact O-N 2.68Å; Q292-R295 PolarHBondContact O-N 3.25Å; Q292-R295 VanDerWaalsContact O-N 3.15Å; E293-R295 PolarHBondContact O-N 3.02Å
296W95.9Very high96.8Very high173 Ų17356.1 Ų56.166%0.65529%0.289SS*.SBendtrans-138.882.4-174.3-55.1115.9000109.4Q292 E293 V298 R408Q292-W296 PolarHBondContact O-N 3.42Å; E293-W296 CarbonylContact O-C 3.48Å; W296-V298 PolarHBondContact O-N 2.79Å; W296-R408 PolarHBondContact O-NH2 3.44Å; W296-R408 VanDerWaalsContact O-NH2 3.12Å
297P97.3Very high96.7Very high76 Ų7658.7 Ų58.749%0.49431%0.312SS..  trans-59.4130.6179.1-23.934000111.2E293 P300E293-P297 WeakPolarHBondContact O-CA 3.35Å; E293-P297 WeakPolarHBondContact OE1-CA 3.5Å; P297-P300 HydrophobicContact CB-CG 4.42Å
298V97.5Very high96.5Very high9 Ų961.5 Ų61.56%0.05535%0.347CS..SBendtrans-82.3-34.9-172.575.20000112.5S273 E293 W296 S301 L302 H405 R408S273-V298 WeakPolarHBondContact OG-CG1 3.43Å; E293-V298 PolarHBondContact OE1-N 3.25Å; E293-V298 PolarHBondContact OE2-N 3.43Å; E293-V298 VanDerWaalsContact OE2-N 3.11Å; W296-V298 PolarHBondContact O-N 2.79Å; V298-S301 PolarHBondContact O-N 3.31Å; V298-L302 HydrophobicContact CG1-CD1 4.28Å; V298-L302 HydrophobicContact CG2-CD1 3.98Å; V298-L302 HydrophobicContact CG2-CD2 4.45Å; V298-L302 HydrophobicContact CG2-CG 4.05Å; V298-L302 WeakPolarHBondContact O-CG 3.44Å; V298-L302 PolarHBondContact O-N 3.2Å; V298-L302 VanDerWaalsContact O-N 3.14Å; V298-H405 HydrophobicContact CG2-CB 4.15Å; V298-R408 HydrophobicContact CG1-CG 3.97Å
299L97.3Very high96.4Very high26 Ų2657.7 Ų57.714%0.13633%0.329CS..Hα-helixtrans-57.9-47.9-173.3-70.6-179.9000114.3Y268 S273 H274 S301 L302 D303Y268-L299 HydrophobicContact CD2-CD2 3.76Å; Y268-L299 HydrophobicContact CE2-CD2 3.97Å; Y268-L299 HydrophobicContact CG-CD2 4.29Å; S273-L299 WeakPolarHBondContact O-CD1 3.28Å; H274-L299 WeakPolarHBondContact NE2-CD1 3.36Å; L299-S301 PolarHBondContact O-N 3.2Å; L299-S301 VanDerWaalsContact O-N 3.13Å; L299-L302 PolarHBondContact O-N 2.98Å; L299-D303 PolarHBondContact O-N 3.42Å
300P97.6Very high96.3Very high85 Ų8561.1 Ų61.155%0.55235%0.345SS*.Hα-helixtrans-57.1-36.1-178.2-25.935.8000112.6P297 A304P297-P300 HydrophobicContact CB-CG 4.42Å; P300-A304 WeakPolarHBondContact O-CB 3.36Å; P300-A304 PolarHBondContact O-N 3.4Å
301S95.5Very high96.4Very high62 Ų6261.6 Ų61.643%0.43435%0.347SS..Hα-helixtrans-71.9-39.7177.5-173.20000112.3V298 L299 F305V298-S301 PolarHBondContact O-N 3.31Å; L299-S301 PolarHBondContact O-N 3.2Å; L299-S301 VanDerWaalsContact O-N 3.13Å; S301-F305 WeakPolarHBondContact O-CB 3.47Å; S301-F305 PolarHBondContact O-N 3.34Å
302L97.1Very high96.4Very high0 Ų060.8 Ų60.80%034%0.337CS..Hα-helixtrans-66.7-45.9175.7-60.9178.3000111.4T264 Y268 V298 L299 F305 M306 M383 F403 H405T264-L302 HydrophobicContact CG2-CD2 4.36Å; Y268-L302 HydrophobicContact CD2-CB 4.05Å; Y268-L302 HydrophobicContact CD2-CD1 3.87Å; Y268-L302 HydrophobicContact CE2-CB 4.31Å; V298-L302 HydrophobicContact CG1-CD1 4.28Å; V298-L302 HydrophobicContact CG2-CD1 3.98Å; V298-L302 HydrophobicContact CG2-CD2 4.45Å; V298-L302 HydrophobicContact CG2-CG 4.05Å; V298-L302 WeakPolarHBondContact O-CG 3.44Å; V298-L302 PolarHBondContact O-N 3.2Å; V298-L302 VanDerWaalsContact O-N 3.14Å; L299-L302 PolarHBondContact O-N 2.98Å; L302-F305 PolarHBondContact O-N 3.01Å; L302-M306 HydrophobicContact CB-CE 4.21Å; L302-M306 WeakPolarHBondContact O-CB 3.19Å; L302-M306 WeakPolarHBondContact O-CG 3.49Å; L302-M306 PolarHBondContact O-N 3.5Å; L302-M383 HydrophobicContact CB-CE 4.14Å; L302-M383 HydrophobicContact CD2-CE 3.35Å; L302-M383 HydrophobicContact CG-CE 4.34Å; L302-F403 HydrophobicContact CD2-CE1 3.99Å; L302-H405 HydrophobicContact CD2-CB 3.93Å
303D97Very high96.5Very high66 Ų6658.2 Ų58.235%0.35333%0.325SS..Hα-helixtrans-65.2-44.5180-75.4-35.7000111.7Y268 L299 F305 M306 A307Y268-D303 WeakPolarHBondContact CE2-OD1 3.36Å; Y268-D303 PolarHBondContact OH-OD1 2.84Å; L299-D303 PolarHBondContact O-N 3.42Å; D303-F305 VanDerWaalsContact C-N 3.28Å; D303-F305 PolarHBondContact O-N 3.04Å; D303-M306 PolarHBondContact O-N 2.96Å; D303-A307 WeakPolarHBondContact O-CB 3.47Å; D303-A307 PolarHBondContact O-N 3.48Å
304A95.1Very high96.4Very high74 Ų7457.9 Ų57.961%0.61232%0.323SS*.Hα-helixtrans-58.3-41.8175.500000111.7P300P300-A304 WeakPolarHBondContact O-CB 3.36Å; P300-A304 PolarHBondContact O-N 3.4Å
305F93.7Very high96.4Very high34 Ų3456.7 Ų56.715%0.14932%0.322CS..Hα-helixtrans-71.5-34.8178-173.3-99000113V258 S301 L302 D303 K309 V381 M383 F403V258-F305 HydrophobicContact CG1-CD1 4.47Å; V258-F305 HydrophobicContact CG1-CE1 4.04Å; V258-F305 HydrophobicContact CG2-CD1 4.31Å; V258-F305 HydrophobicContact CG2-CE1 3.79Å; S301-F305 WeakPolarHBondContact O-CB 3.47Å; S301-F305 PolarHBondContact O-N 3.34Å; L302-F305 PolarHBondContact O-N 3.01Å; D303-F305 VanDerWaalsContact C-N 3.28Å; D303-F305 PolarHBondContact O-N 3.04Å; F305-K309 WeakPolarHBondContact O-CD 3.11Å; F305-K309 WeakPolarHBondContact O-CE 3.38Å; F305-V381 HydrophobicContact CE1-CB 4.34Å; F305-V381 HydrophobicContact CE1-CG1 4.18Å; F305-V381 HydrophobicContact CZ-CB 3.89Å; F305-V381 HydrophobicContact CZ-CG1 3.64Å; F305-V381 HydrophobicContact CZ-CG2 4.43Å; F305-M383 HydrophobicContact CB-CE 4.18Å; F305-M383 HydrophobicContact CD1-CE 3.68Å; F305-M383 HydrophobicContact CD1-CG 3.85Å; F305-M383 HydrophobicContact CD1-SD 3.69Å; F305-M383 HydrophobicContact CE1-CG 3.83Å; F305-M383 HydrophobicContact CE1-SD 4.19Å; F305-M383 HydrophobicContact CG-CE 4.3Å; F305-F403 HydrophobicContact CB-CD2 4.2Å; F305-F403 HydrophobicContact CB-CE1 4.49Å; F305-F403 HydrophobicContact CB-CE2 3.89Å; F305-F403 HydrophobicContact CB-CZ 4.04Å; F305-F403 HydrophobicContact CD1-CB 4.19Å; F305-F403 HydrophobicContact CD1-CD1 4.39Å; F305-F403 HydrophobicContact CD1-CD2 4.11Å; F305-F403 AromaticContact CD1-CG 3.97Å; F305-F403 HydrophobicContact CD1-CG 3.97Å; F305-F403 AromaticContact CD2-CD2 3.39Å; F305-F403 HydrophobicContact CD2-CD2 3.39Å; F305-F403 AromaticContact CD2-CE2 3.73Å; F305-F403 HydrophobicContact CD2-CE2 3.73Å; F305-F403 HydrophobicContact CD2-CG 4.08Å; F305-F403 HydrophobicContact CE1-CB 3.85Å; F305-F403 HydrophobicContact CE1-CD2 4.38Å; F305-F403 HydrophobicContact CE1-CG 4.13Å; F305-F403 HydrophobicContact CE2-CB 4.24Å; F305-F403 AromaticContact CE2-CD2 3.73Å; F305-F403 HydrophobicContact CE2-CD2 3.73Å; F305-F403 HydrophobicContact CE2-CE2 4.48Å; F305-F403 HydrophobicContact CE2-CG 4.25Å; F305-F403 HydrophobicContact CG-CD1 4.44Å; F305-F403 AromaticContact CG-CD2 3.61Å; F305-F403 HydrophobicContact CG-CD2 3.61Å; F305-F403 AromaticContact CG-CE2 3.82Å; F305-F403 HydrophobicContact CG-CE2 3.82Å; F305-F403 AromaticContact CG-CG 3.93Å; F305-F403 HydrophobicContact CG-CG 3.93Å; F305-F403 HydrophobicContact CG-CZ 4.32Å; F305-F403 HydrophobicContact CZ-CB 3.89Å; F305-F403 HydrophobicContact CZ-CD2 4.21Å; F305-F403 HydrophobicContact CZ-CG 4.28Å
306M95.6Very high96.4Very high7 Ų748.9 Ų48.93%0.03430%0.296CS..Hα-helixtrans-82-15.5-180-72.1-169.8-62.500113.8L260 Y268 L302 D303 G308 K309 L311 M383L260-M306 HydrophobicContact CD1-SD 4.46Å; L260-M306 HydrophobicContact CD2-SD 4.16Å; Y268-M306 HydrophobicContact CD2-CE 3.59Å; Y268-M306 HydrophobicContact CE2-CE 3.19Å; Y268-M306 HydrophobicContact CG-CE 4.46Å; L302-M306 HydrophobicContact CB-CE 4.21Å; L302-M306 WeakPolarHBondContact O-CB 3.19Å; L302-M306 WeakPolarHBondContact O-CG 3.49Å; L302-M306 PolarHBondContact O-N 3.5Å; D303-M306 PolarHBondContact O-N 2.96Å; M306-G308 PolarHBondContact O-N 2.91Å; M306-K309 PolarHBondContact O-N 3.47Å; M306-K309 VanDerWaalsContact O-N 3.09Å; M306-L311 HydrophobicContact CB-CD2 3.91Å; M306-L311 HydrophobicContact CG-CD2 3.81Å; M306-L311 HydrophobicContact SD-CD1 4Å; M306-L311 HydrophobicContact SD-CD2 3.94Å; M306-M383 HydrophobicContact CG-CE 4.11Å; M306-M383 HydrophobicContact CG-SD 3.6Å; M306-M383 HydrophobicContact SD-SD 3.97Å
307A94.8Very high96.5Very high68 Ų6840.6 Ų40.656%0.56227%0.265SS*.THydrogen-bonded Turntrans-55.6126.8-176.700000112.1D303 K309D303-A307 WeakPolarHBondContact O-CB 3.47Å; D303-A307 PolarHBondContact O-N 3.48Å; A307-K309 PolarHBondContact O-N 2.93Å
308G92.9Very high96.5Very high91 Ų9137.2 Ų37.294%0.93824%0.243SC*.THydrogen-bonded Turntrans71.46179.200000115.5M306M306-G308 PolarHBondContact O-N 2.91Å
309K94.8Very high96.5Very high33 Ų3340.3 Ų40.314%0.14326%0.261CS..  trans-105.2152.1-177.6-56.1-175.2-166.8-67.80112.3E254 C255 G256 V258 F305 M306 A307E254-K309 IonicContact OE2-NZ 2.8Å; E254-K309 PolarHBondContact OE2-NZ 3.1Å; C255-K309 WeakPolarHBondContact O-CD 3.49Å; C255-K309 PolarHBondContact O-NZ 3.09Å; G256-K309 CarbonylContact O-C 3.55Å; G256-K309 WeakPolarHBondContact O-CA 3.18Å; G256-K309 WeakPolarHBondContact O-CB 3.29Å; V258-K309 HydrophobicContact CG2-CB 3.84Å; V258-K309 HydrophobicContact CG2-CD 3.37Å; V258-K309 HydrophobicContact CG2-CG 4.23Å; F305-K309 WeakPolarHBondContact O-CD 3.11Å; F305-K309 WeakPolarHBondContact O-CE 3.38Å; M306-K309 PolarHBondContact O-N 3.47Å; M306-K309 VanDerWaalsContact O-N 3.09Å; A307-K309 PolarHBondContact O-N 2.93Å
310Q97.1Very high96.4Very high97 Ų9741.3 Ų41.345%0.45327%0.267SS..EExtended strand (participates in β ladder)trans-76.1127.3168.6-65.4-178.9-33.600109.7G256 V258 F312G256-Q310 PolarHBondContact O-N 2.98Å; V258-Q310 PolarHBondContact N-O 2.89Å; Q310-F312 HydrophobicContact CB-CD2 4.38Å; Q310-F312 HydrophobicContact CB-CE2 3.53Å; Q310-F312 HydrophobicContact CB-CZ 4.1Å
311L98.2Very high96.5Very high9 Ų937.3 Ų37.35%0.04724%0.241CC..EExtended strand (participates in β ladder)trans-102.6125.1-175.6-51.5-176.6000110V258 L260 M306 L344 H345V258-L311 HydrophobicContact CB-CD2 4.06Å; V258-L311 HydrophobicContact CG2-CD2 4.48Å; L260-L311 HydrophobicContact CD1-CB 4.06Å; L260-L311 HydrophobicContact CD1-CD2 4.29Å; M306-L311 HydrophobicContact CB-CD2 3.91Å; M306-L311 HydrophobicContact CG-CD2 3.81Å; M306-L311 HydrophobicContact SD-CD1 4Å; M306-L311 HydrophobicContact SD-CD2 3.94Å; L311-L344 HydrophobicContact CB-CD2 3.47Å; L311-L344 VanDerWaalsContact CB-CD2 3.47Å; L311-L344 HydrophobicContact CD1-CD2 4.23Å; L311-H345 WeakPolarHBondContact O-CB 3.32Å; L311-H345 PolarHBondContact O-CD2 3.35Å; L311-H345 PolarHBondContact O-N 3.18Å
312F98.3Very high96.6Very high23 Ų2340 Ų4010%0.10124%0.241CC..EExtended strand (participates in β ladder)trans-119.1151.2-180-63.1-93.2000110.3R257 V258 N259 L260 Q310 H345 V347 L378R257-F312 HydrophobicContact CB-CD2 4.29Å; R257-F312 HydrophobicContact CB-CE2 3.95Å; R257-F312 HydrophobicContact CG-CE2 3.86Å; V258-F312 PolarHBondContact O-N 3.09Å; N259-F312 CarbonylContact C-O 3.43Å; N259-F312 WeakPolarHBondContact CA-O 3.17Å; L260-F312 PolarHBondContact N-O 3.05Å; Q310-F312 HydrophobicContact CB-CD2 4.38Å; Q310-F312 HydrophobicContact CB-CE2 3.53Å; Q310-F312 HydrophobicContact CB-CZ 4.1Å; F312-H345 WeakPolarHBondContact CA-O 3.3Å; F312-H345 HydrophobicContact CD1-CB 3.48Å; F312-H345 VanDerWaalsContact CD1-CB 3.48Å; F312-H345 HydrophobicContact CE1-CB 3.61Å; F312-H345 HydrophobicContact CG-CB 4.2Å; F312-H345 HydrophobicContact CZ-CB 4.42Å; F312-V347 HydrophobicContact CD1-CG1 3.78Å; F312-V347 HydrophobicContact CE1-CG1 4.36Å; F312-L378 HydrophobicContact CB-CD1 4.33Å; F312-L378 HydrophobicContact CD1-CD1 4.23Å; F312-L378 HydrophobicContact CG-CD1 4.29Å
313A98.1Very high96.6Very high0 Ų043.8 Ų43.80%027%0.265CS..EExtended strand (participates in β ladder)trans-147.5138.1163.900000108.6V318 L344 H345 L346 V347A313-V318 HydrophobicContact CB-CG2 3.63Å; A313-L344 HydrophobicContact CB-CD1 3.96Å; A313-H345 PolarHBondContact N-O 2.9Å; A313-H345 VanDerWaalsContact N-O 3.17Å; A313-L346 WeakPolarHBondContact O-CA 3.22Å; A313-L346 WeakPolarHBondContact O-CD1 3.31Å; A313-V347 PolarHBondContact O-N 3.34Å; A313-V347 VanDerWaalsContact O-N 3.13Å
314C97.6Very high96.6Very high0 Ų043 Ų430%026%0.26CS..EExtended strand (participates in β ladder)trans-78.7159.6178.276.40000111.7A316 A317 V318 V347 D349 T374C314-A316 VanDerWaalsContact C-N 3.28Å; C314-A316 PolarHBondContact O-N 3.32Å; C314-A317 WeakPolarHBondContact O-CB 3.48Å; C314-A317 PolarHBondContact O-N 3.25Å; C314-V318 PolarHBondContact O-N 3.06Å; C314-V318 VanDerWaalsContact O-N 3.1Å; C314-V347 CarbonylContact C-O 3.47Å; C314-V347 VanDerWaalsContact CA-O 3.31Å; C314-V347 WeakPolarHBondContact CA-O 3.37Å; C314-V347 HydrophobicContact CB-CG2 4.19Å; C314-D349 VanDerWaalsContact CB-OD1 3.24Å; C314-D349 WeakPolarHBondContact CB-OD1 3.29Å; C314-D349 PolarHBondContact SG-OD1 3.21Å; C314-T374 HydrophobicContact CB-CG2 3.9Å
315H97.2Very high96.7Very high75 Ų7540 Ų4035%0.34723%0.234SC..Hα-helixtrans-53.3-43.1179.8-89.4-72.5000112.9A317 V318 T319 L346 V347 D348 D349H315-A317 PolarHBondContact O-N 2.99Å; H315-V318 PolarHBondContact O-N 3.27Å; H315-T319 VanDerWaalsContact O-CB 3.28Å; H315-T319 WeakPolarHBondContact O-CB 3.36Å; H315-T319 PolarHBondContact O-N 3.08Å; H315-T319 PolarHBondContact O-OG1 3.39Å; H315-L346 WeakPolarHBondContact CE1-CD2 2.79Å; H315-V347 PolarHBondContact CD2-O 3.32Å; H315-V347 PolarHBondContact N-O 3.33Å; H315-D348 IonicContact CD2-OD1 2.75Å; H315-D348 IonicContact NE2-OD1 3.12Å; H315-D349 PolarHBondContact N-OD1 3.47Å
316A95.8Very high96.9Very high18 Ų1843.5 Ų43.515%0.14925%0.254CS..Hα-helixtrans-59.8-42.6175.600000112.8C314 D320 D349 A370C314-A316 VanDerWaalsContact C-N 3.28Å; C314-A316 PolarHBondContact O-N 3.32Å; A316-D320 WeakPolarHBondContact O-CB 3.3Å; A316-D320 PolarHBondContact O-N 3.26Å; A316-D349 WeakPolarHBondContact CB-OD1 3.19Å; A316-D349 WeakPolarHBondContact CB-OD2 3.48Å; A316-D349 PolarHBondContact N-OD1 3.39Å; A316-D349 PolarHBondContact N-OD2 2.63Å; A316-A370 HydrophobicContact CB-CB 4.24Å
317A97.3Very high96.9Very high0 Ų048.3 Ų48.30%028%0.284CS..Hα-helixtrans-63.6-48.417900000111.6I262 C314 H315 F321 I371I262-A317 HydrophobicContact CG1-CB 4.17Å; I262-A317 WeakPolarHBondContact CG1-O 3.49Å; C314-A317 WeakPolarHBondContact O-CB 3.48Å; C314-A317 PolarHBondContact O-N 3.25Å; H315-A317 PolarHBondContact O-N 2.99Å; A317-F321 WeakPolarHBondContact O-CB 3.31Å; A317-F321 PolarHBondContact O-N 2.9Å; A317-I371 HydrophobicContact CB-CD1 3.98Å; A317-I371 HydrophobicContact CB-CG1 3.99Å
318V97.9Very high96.9Very high5 Ų549.3 Ų49.33%0.0328%0.279CS..Hα-helixtrans-69.3-38-176.8174.40000111.7A313 C314 H315 F321 R322 L341 L346A313-V318 HydrophobicContact CB-CG2 3.63Å; C314-V318 PolarHBondContact O-N 3.06Å; C314-V318 VanDerWaalsContact O-N 3.1Å; H315-V318 PolarHBondContact O-N 3.27Å; V318-F321 PolarHBondContact O-N 3.46Å; V318-R322 HydrophobicContact CG1-CG 4.42Å; V318-R322 WeakPolarHBondContact O-CB 3.42Å; V318-R322 VanDerWaalsContact O-CG 3.32Å; V318-R322 WeakPolarHBondContact O-CG 3.5Å; V318-R322 PolarHBondContact O-N 3.21Å; V318-L341 HydrophobicContact CG1-CD2 3.93Å; V318-L341 HydrophobicContact CG2-CD2 4.19Å; V318-L346 HydrophobicContact CB-CD1 4Å; V318-L346 HydrophobicContact CG2-CD1 3.72Å
319T97.4Very high97.1Very high73 Ų7345.5 Ų45.545%0.44824%0.24SC..Hα-helixtrans-64.1-47.2179.2-58.30000111.3H315 R322 T323H315-T319 VanDerWaalsContact O-CB 3.28Å; H315-T319 WeakPolarHBondContact O-CB 3.36Å; H315-T319 PolarHBondContact O-N 3.08Å; H315-T319 PolarHBondContact O-OG1 3.39Å; T319-R322 PolarHBondContact O-N 2.94Å; T319-T323 PolarHBondContact O-N 3.41Å; T319-T323 PolarHBondContact O-OG1 2.95Å
320D96.4Very high97.2Very high48 Ų4844.2 Ų44.226%0.25724%0.236SC..Hα-helixtrans-67.5-41.5177.5-86.630.8000112I262 A316 R322 T323 I324 R367I262-D320 HydrophobicContact CD1-CB 3.52Å; I262-D320 HydrophobicContact CG1-CB 4.13Å; A316-D320 WeakPolarHBondContact O-CB 3.3Å; A316-D320 PolarHBondContact O-N 3.26Å; D320-R322 VanDerWaalsContact C-N 3.34Å; D320-R322 PolarHBondContact O-N 3.36Å; D320-T323 WeakPolarHBondContact O-CB 3.37Å; D320-T323 PolarHBondContact O-N 2.92Å; D320-I324 WeakPolarHBondContact O-CG1 3.42Å; D320-I324 PolarHBondContact O-N 3.26Å; D320-R367 WeakPolarHBondContact OD2-CD 3.41Å; D320-R367 IonicContact OD2-CZ 3.44Å; D320-R367 IonicContact OD2-NE 2.64Å; D320-R367 IonicContact OD2-NH1 3.52Å; D320-R367 PolarHBondContact OD2-NH1 3.47Å
321F98.1Very high97.2Very high0 Ų044.6 Ų44.60%025%0.247CC..Hα-helixtrans-57.5-47.2174.9168.5-115.7000111.5I262 L265 I266 V269 A317 V318 T323 I324 L325 A337 L341I262-F321 HydrophobicContact CG2-CB 4.43Å; L265-F321 HydrophobicContact CB-CB 4.35Å; L265-F321 HydrophobicContact CB-CD1 4.12Å; L265-F321 HydrophobicContact CB-CD2 3.59Å; L265-F321 HydrophobicContact CB-CE1 4.31Å; L265-F321 HydrophobicContact CB-CE2 3.82Å; L265-F321 HydrophobicContact CB-CG 3.75Å; L265-F321 HydrophobicContact CB-CZ 4.16Å; L265-F321 HydrophobicContact CD1-CB 3.76Å; L265-F321 HydrophobicContact CD1-CD1 3.99Å; L265-F321 HydrophobicContact CD1-CG 3.83Å; L265-F321 HydrophobicContact CG-CG 4.42Å; I266-F321 HydrophobicContact CG1-CD2 3.85Å; I266-F321 HydrophobicContact CG1-CE2 4.12Å; V269-F321 HydrophobicContact CG1-CZ 4.26Å; V269-F321 HydrophobicContact CG2-CE2 3.95Å; V269-F321 HydrophobicContact CG2-CZ 3.89Å; A317-F321 WeakPolarHBondContact O-CB 3.31Å; A317-F321 PolarHBondContact O-N 2.9Å; V318-F321 PolarHBondContact O-N 3.46Å; F321-T323 PolarHBondContact O-N 3.47Å; F321-I324 PolarHBondContact O-N 3.17Å; F321-L325 HydrophobicContact CE1-CD2 4.32Å; F321-L325 HydrophobicContact CZ-CD2 4.18Å; F321-L325 VanDerWaalsContact O-CB 3.28Å; F321-L325 WeakPolarHBondContact O-CB 3.44Å; F321-L325 PolarHBondContact O-N 2.96Å; F321-A337 HydrophobicContact CE1-CB 3.93Å; F321-A337 HydrophobicContact CZ-CB 3.72Å; F321-L341 HydrophobicContact CD1-CD2 4.25Å; F321-L341 HydrophobicContact CE1-CD1 4.26Å; F321-L341 HydrophobicContact CE1-CD2 4.23Å; F321-L341 HydrophobicContact CE1-CG 4.28Å
322R98.1Very high97.1Very high118 Ų11844.8 Ų44.845%0.44525%0.251SS..Hα-helixtrans-59.9-44.9175.8-76.4176.8177.9160.8-0.1111.6V318 T319 D320 I324 L325 D326 L341V318-R322 HydrophobicContact CG1-CG 4.42Å; V318-R322 WeakPolarHBondContact O-CB 3.42Å; V318-R322 VanDerWaalsContact O-CG 3.32Å; V318-R322 WeakPolarHBondContact O-CG 3.5Å; V318-R322 PolarHBondContact O-N 3.21Å; T319-R322 PolarHBondContact O-N 2.94Å; D320-R322 VanDerWaalsContact C-N 3.34Å; D320-R322 PolarHBondContact O-N 3.36Å; R322-I324 VanDerWaalsContact C-N 3.32Å; R322-I324 PolarHBondContact O-N 2.87Å; R322-L325 PolarHBondContact O-N 3.33Å; R322-L325 VanDerWaalsContact O-N 3.16Å; R322-D326 WeakPolarHBondContact O-CB 3.19Å; R322-D326 VanDerWaalsContact O-CG 3.26Å; R322-D326 PolarHBondContact O-N 3.18Å; R322-L341 HydrophobicContact CG-CD1 4.49Å
323T98Very high97.2Very high80 Ų8043.7 Ų43.749%0.49125%0.246SC..Hα-helixtrans-57.4-45.1177.6-56.60000111.9T319 D320 F321 T327T319-T323 PolarHBondContact O-N 3.41Å; T319-T323 PolarHBondContact O-OG1 2.95Å; D320-T323 WeakPolarHBondContact O-CB 3.37Å; D320-T323 PolarHBondContact O-N 2.92Å; F321-T323 PolarHBondContact O-N 3.47Å; T323-T327 WeakPolarHBondContact O-CB 3.47Å; T323-T327 PolarHBondContact O-N 3.41Å; T323-T327 PolarHBondContact O-OG1 3.46Å
324I97.1Very high97.2Very high49 Ų4947.1 Ų47.125%0.25126%0.261SS..Hα-helixtrans-65.2-45.7176.8-66.4166.4000110.8I262 I266 D320 F321 R322 T327 L328 L410I262-I324 HydrophobicContact CG2-CD1 3.86Å; I266-I324 HydrophobicContact CD1-CD1 3.93Å; I266-I324 HydrophobicContact CD1-CG2 4.02Å; D320-I324 WeakPolarHBondContact O-CG1 3.42Å; D320-I324 PolarHBondContact O-N 3.26Å; F321-I324 PolarHBondContact O-N 3.17Å; R322-I324 VanDerWaalsContact C-N 3.32Å; R322-I324 PolarHBondContact O-N 2.87Å; I324-T327 PolarHBondContact O-N 2.75Å; I324-L328 HydrophobicContact CG2-CD1 4.23Å; I324-L328 WeakPolarHBondContact O-CB 3.33Å; I324-L328 PolarHBondContact O-N 3.42Å; I324-L410 HydrophobicContact CG2-CD1 4.19Å
325L97.4Very high97.2Very high11 Ų1153.3 Ų53.36%0.05829%0.29CS..Hα-helixtrans-64.2-39.3-179.2-175.373000112.3F321 R322 T327 G329 E333 K334 A337 L410F321-L325 HydrophobicContact CE1-CD2 4.32Å; F321-L325 HydrophobicContact CZ-CD2 4.18Å; F321-L325 VanDerWaalsContact O-CB 3.28Å; F321-L325 WeakPolarHBondContact O-CB 3.44Å; F321-L325 PolarHBondContact O-N 2.96Å; R322-L325 PolarHBondContact O-N 3.33Å; R322-L325 VanDerWaalsContact O-N 3.16Å; L325-T327 VanDerWaalsContact C-N 3.31Å; L325-T327 PolarHBondContact O-N 2.94Å; L325-G329 WeakPolarHBondContact O-CA 3.42Å; L325-G329 PolarHBondContact O-N 3.1Å; L325-E333 HydrophobicContact CD1-CB 4.21Å; L325-K334 HydrophobicContact CD1-CG 4.15Å; L325-K334 HydrophobicContact CD2-CG 4.21Å; L325-K334 HydrophobicContact CG-CG 3.91Å; L325-K334 VanDerWaalsContact O-CE 3.22Å; L325-K334 WeakPolarHBondContact O-CE 3.5Å; L325-A337 HydrophobicContact CD1-CB 4.3Å; L325-A337 HydrophobicContact CD2-CB 3.32Å; L325-A337 HydrophobicContact CG-CB 4.46Å; L325-L410 HydrophobicContact CB-CD1 4.45Å; L325-L410 HydrophobicContact CD1-CD1 3.83Å
326D96.8Very high97.3Very high109 Ų10952.7 Ų52.758%0.58328%0.284SS*.Hα-helixtrans-68.5-34.7178.1-71.1-28.9000111.6R322R322-D326 WeakPolarHBondContact O-CB 3.19Å; R322-D326 VanDerWaalsContact O-CG 3.26Å; R322-D326 PolarHBondContact O-N 3.18Å
327T96.1Very high97.4Very high107 Ų10751.9 Ų51.966%0.65628%0.278SS*.Hα-helixtrans-78.3-41-179.7-54.20000112.8T323 I324 L325T323-T327 WeakPolarHBondContact O-CB 3.47Å; T323-T327 PolarHBondContact O-N 3.41Å; T323-T327 PolarHBondContact O-OG1 3.46Å; I324-T327 PolarHBondContact O-N 2.75Å; L325-T327 VanDerWaalsContact C-N 3.31Å; L325-T327 PolarHBondContact O-N 2.94Å
328L94.9Very high97.4Very high90 Ų9058.5 Ų58.547%0.47131%0.309SS..Hα-helixtrans-118.7-23-168.1-59.7-179.8000114.5I324 L410I324-L328 HydrophobicContact CG2-CD1 4.23Å; I324-L328 WeakPolarHBondContact O-CB 3.33Å; I324-L328 PolarHBondContact O-N 3.42Å; L328-L410 HydrophobicContact CB-CD1 4.44Å
329G95.6Very high97.4Very high11 Ų1162.6 Ų62.611%0.11333%0.334CS..  trans-75.1138-169.800000113.5L325 E333 K334L325-G329 WeakPolarHBondContact O-CA 3.42Å; L325-G329 PolarHBondContact O-N 3.1Å; G329-E333 WeakPolarHBondContact CA-OE2 3.34Å; G329-K334 VanDerWaalsContact O-CE 3.27Å; G329-K334 WeakPolarHBondContact O-CE 3.48Å
330G97.1Very high97.4Very high5 Ų559.2 Ų59.25%0.05231%0.313CS..  trans-80.6175.9169.800000113.6G332 E333 K334G330-G332 PolarHBondContact O-N 2.96Å; G330-E333 PolarHBondContact N-OE2 3.11Å; G330-E333 PolarHBondContact O-N 2.98Å; G330-K334 WeakPolarHBondContact O-CB 3.44Å; G330-K334 WeakPolarHBondContact O-CG 3.2Å; G330-K334 PolarHBondContact O-N 3.33Å
331P97.1Very high97.5Very high106 Ų10658.6 Ų58.669%0.68831%0.309SS*.Hα-helixtrans-55.4-46.4-179.7-25.433.5000114K334 E335 E412P331-K334 PolarHBondContact O-N 3.23Å; P331-E335 PolarHBondContact O-N 3.36Å; P331-E412 WeakPolarHBondContact CD-OE1 3.49Å
332G97.8Very high97.4Very high12 Ų1262.8 Ų62.812%0.12434%0.344CS..Hα-helixtrans-69.2-39.1-179.300000113G330 K334 E335 R336 E412G330-G332 PolarHBondContact O-N 2.96Å; G332-K334 VanDerWaalsContact C-N 3.3Å; G332-K334 PolarHBondContact O-N 3.46Å; G332-E335 PolarHBondContact O-N 3.47Å; G332-R336 WeakPolarHBondContact O-CG 3.42Å; G332-R336 PolarHBondContact O-N 2.81Å; G332-R336 PolarHBondContact O-NH1 3.38Å; G332-E412 WeakPolarHBondContact CA-OE2 3.42Å; G332-E412 VanDerWaalsContact N-CD 3.35Å; G332-E412 PolarHBondContact N-OE1 2.98Å; G332-E412 PolarHBondContact N-OE2 3.42Å
333E98.5Very high97.3Very high0 Ų063 Ų630%035%0.345CS..Hα-helixtrans-61.4-39.7172.5-71.1171.8155.800111.4A271 L325 G329 G330 A337 L410 T411 E412A271-E333 HydrophobicContact CB-CG 4.12Å; A271-E333 WeakPolarHBondContact CB-OE1 3.32Å; A271-E333 PolarHBondContact N-OE1 3.36Å; L325-E333 HydrophobicContact CD1-CB 4.21Å; G329-E333 WeakPolarHBondContact CA-OE2 3.34Å; G330-E333 PolarHBondContact N-OE2 3.11Å; G330-E333 PolarHBondContact O-N 2.98Å; E333-A337 VanDerWaalsContact O-CB 3.29Å; E333-A337 WeakPolarHBondContact O-CB 3.41Å; E333-A337 PolarHBondContact O-N 3.01Å; E333-L410 HydrophobicContact CB-CD2 4.41Å; E333-L410 HydrophobicContact CG-CD2 4.25Å; E333-L410 VanDerWaalsContact OE1-CA 3.25Å; E333-L410 WeakPolarHBondContact OE1-CA 3.5Å; E333-T411 PolarHBondContact OE1-N 3.12Å; E333-E412 HydrophobicContact CG-CB 4.06Å; E333-E412 WeakPolarHBondContact CG-OE2 3.49Å; E333-E412 PolarHBondContact N-OE2 3.12Å; E333-E412 PolarHBondContact OE1-N 3.33Å; E333-E412 WeakPolarHBondContact OE2-CB 3.48Å
334K98.4Very high97.3Very high72 Ų7260.3 Ų60.331%0.31333%0.327SS..Hα-helixtrans-67.1-42.5176.2-75.1176.1178.9-176.70112.6L325 G329 G330 P331 G332 A337 Q338L325-K334 HydrophobicContact CD1-CG 4.15Å; L325-K334 HydrophobicContact CD2-CG 4.21Å; L325-K334 HydrophobicContact CG-CG 3.91Å; L325-K334 VanDerWaalsContact O-CE 3.22Å; L325-K334 WeakPolarHBondContact O-CE 3.5Å; G329-K334 VanDerWaalsContact O-CE 3.27Å; G329-K334 WeakPolarHBondContact O-CE 3.48Å; G330-K334 WeakPolarHBondContact O-CB 3.44Å; G330-K334 WeakPolarHBondContact O-CG 3.2Å; G330-K334 PolarHBondContact O-N 3.33Å; P331-K334 PolarHBondContact O-N 3.23Å; G332-K334 VanDerWaalsContact C-N 3.3Å; G332-K334 PolarHBondContact O-N 3.46Å; K334-A337 WeakPolarHBondContact O-CB 3.49Å; K334-A337 PolarHBondContact O-N 2.95Å; K334-Q338 WeakPolarHBondContact O-CG 3.36Å; K334-Q338 PolarHBondContact O-N 3.34Å
335E98.3Very high97.3Very high131 Ų13162.6 Ų62.661%0.61234%0.337SS*.Hα-helixtrans-62.4-47.1175.7-176.3-178.9-168.600111.8P331 G332 A337 Q338 T339P331-E335 PolarHBondContact O-N 3.36Å; G332-E335 PolarHBondContact O-N 3.47Å; E335-A337 VanDerWaalsContact C-N 3.29Å; E335-A337 PolarHBondContact O-N 2.92Å; E335-Q338 PolarHBondContact O-N 3.38Å; E335-T339 PolarHBondContact O-N 2.68Å; E335-T339 VanDerWaalsContact O-N 3.16Å; E335-T339 PolarHBondContact O-OG1 3.04Å
336R98.3Very high97.3Very high61 Ų6165.8 Ų65.823%0.2335%0.353CS..Hα-helixtrans-62.2-37.9175.5-71.6-171.6-63-82.91.2112.1V269 H274 G332 T339 L340V269-R336 HydrophobicContact CB-CB 4.14Å; V269-R336 HydrophobicContact CG1-CB 4.33Å; V269-R336 VanDerWaalsContact O-CZ 3.26Å; V269-R336 PolarHBondContact O-NE 3.03Å; V269-R336 PolarHBondContact O-NH2 2.8Å; H274-R336 WeakPolarHBondContact CD2-CD 3.04Å; H274-R336 PolarHBondContact ND1-NE 2.89Å; H274-R336 VanDerWaalsContact NE2-CD 3.31Å; H274-R336 WeakPolarHBondContact NE2-CD 3.46Å; G332-R336 WeakPolarHBondContact O-CG 3.42Å; G332-R336 PolarHBondContact O-N 2.81Å; G332-R336 PolarHBondContact O-NH1 3.38Å; R336-T339 PolarHBondContact O-N 2.85Å; R336-L340 PolarHBondContact O-N 3.35Å
337A98.3Very high97.4Very high1 Ų162 Ų621%0.00834%0.335CS..Hα-helixtrans-63.2-40.3175.300000112.8V269 F321 L325 E333 K334 E335 T339 L340 L341V269-A337 HydrophobicContact CG1-CB 4.12Å; F321-A337 HydrophobicContact CE1-CB 3.93Å; F321-A337 HydrophobicContact CZ-CB 3.72Å; L325-A337 HydrophobicContact CD1-CB 4.3Å; L325-A337 HydrophobicContact CD2-CB 3.32Å; L325-A337 HydrophobicContact CG-CB 4.46Å; E333-A337 VanDerWaalsContact O-CB 3.29Å; E333-A337 WeakPolarHBondContact O-CB 3.41Å; E333-A337 PolarHBondContact O-N 3.01Å; K334-A337 WeakPolarHBondContact O-CB 3.49Å; K334-A337 PolarHBondContact O-N 2.95Å; E335-A337 VanDerWaalsContact C-N 3.29Å; E335-A337 PolarHBondContact O-N 2.92Å; A337-T339 VanDerWaalsContact C-N 3.35Å; A337-L340 PolarHBondContact O-N 3.21Å; A337-L341 WeakPolarHBondContact O-CB 3.45Å; A337-L341 WeakPolarHBondContact O-CG 3.36Å; A337-L341 PolarHBondContact O-N 3.5Å
338Q98Very high97.4Very high140 Ų14062.6 Ų62.665%0.65433%0.334SS*.Hα-helixtrans-60.5-46.6174.8-70.61731.900111.2K334 E335 L340 L341 A342K334-Q338 WeakPolarHBondContact O-CG 3.36Å; K334-Q338 PolarHBondContact O-N 3.34Å; E335-Q338 PolarHBondContact O-N 3.38Å; Q338-L340 PolarHBondContact O-N 2.65Å; Q338-L341 PolarHBondContact O-N 2.86Å; Q338-A342 WeakPolarHBondContact O-CB 3.4Å; Q338-A342 PolarHBondContact O-N 3.37Å
339T97.8Very high97.5Very high90 Ų9061.8 Ų61.855%0.55233%0.33SS*.Hα-helixtrans-60.4-43.5176.8-58.70000112E335 R336 A337E335-T339 PolarHBondContact O-N 2.68Å; E335-T339 VanDerWaalsContact O-N 3.16Å; E335-T339 PolarHBondContact O-OG1 3.04Å; R336-T339 PolarHBondContact O-N 2.85Å; A337-T339 VanDerWaalsContact C-N 3.35Å
340L97.6Very high97.5Very high3 Ų365.6 Ų65.62%0.01635%0.345CS..Hα-helixtrans-64.7-51.3177.1176.862.5000111.4L260 L265 Y268 V269 R336 A337 Q338 A342 R343 L344L260-L340 HydrophobicContact CD2-CD1 4.4Å; L265-L340 HydrophobicContact CD2-CD2 3.73Å; L265-L340 HydrophobicContact CD2-CG 4.47Å; Y268-L340 HydrophobicContact CD1-CB 4.46Å; Y268-L340 HydrophobicContact CD1-CD1 3.78Å; Y268-L340 HydrophobicContact CD1-CD2 3.78Å; Y268-L340 HydrophobicContact CD1-CG 4.2Å; Y268-L340 HydrophobicContact CE1-CD1 3.86Å; Y268-L340 HydrophobicContact CG-CD2 4.33Å; V269-L340 HydrophobicContact CG1-CB 4.35Å; V269-L340 HydrophobicContact CG1-CD2 3.86Å; R336-L340 PolarHBondContact O-N 3.35Å; A337-L340 PolarHBondContact O-N 3.21Å; Q338-L340 PolarHBondContact O-N 2.65Å; L340-A342 PolarHBondContact O-N 2.75Å; L340-R343 WeakPolarHBondContact O-CB 3.43Å; L340-R343 PolarHBondContact O-N 2.76Å; L340-L344 HydrophobicContact CD1-CD2 4.48Å
341L97.5Very high97.5Very high34 Ų3466.2 Ų66.218%0.17835%0.347CS..Hα-helixtrans-60.9-33.4-176.5-71.3176.5000112.3V318 F321 R322 A337 Q338 R343 L344V318-L341 HydrophobicContact CG1-CD2 3.93Å; V318-L341 HydrophobicContact CG2-CD2 4.19Å; F321-L341 HydrophobicContact CD1-CD2 4.25Å; F321-L341 HydrophobicContact CE1-CD1 4.26Å; F321-L341 HydrophobicContact CE1-CD2 4.23Å; F321-L341 HydrophobicContact CE1-CG 4.28Å; R322-L341 HydrophobicContact CG-CD1 4.49Å; A337-L341 WeakPolarHBondContact O-CB 3.45Å; A337-L341 WeakPolarHBondContact O-CG 3.36Å; A337-L341 PolarHBondContact O-N 3.5Å; Q338-L341 PolarHBondContact O-N 2.86Å; L341-R343 PolarHBondContact O-N 3.15Å; L341-L344 HydrophobicContact CD2-CD1 3.93Å; L341-L344 PolarHBondContact O-N 3.3Å
342A97.3Very high97.3Very high89 Ų8961.6 Ų61.674%0.73632%0.318SS*.Hα-helixtrans-64-21.9175.900000113.6Q338 L340Q338-A342 WeakPolarHBondContact O-CB 3.4Å; Q338-A342 PolarHBondContact O-N 3.37Å; L340-A342 PolarHBondContact O-N 2.75Å
343R96.1Very high97.1Very high123 Ų12367.4 Ų67.446%0.46434%0.342SS..THydrogen-bonded Turntrans-90.2-9.8177.7-64165.158.9-163.5-2.2113.2Y268 L340 L341Y268-R343 PolarHBondContact OH-NH1 3.04Å; L340-R343 WeakPolarHBondContact O-CB 3.43Å; L340-R343 PolarHBondContact O-N 2.76Å; L341-R343 PolarHBondContact O-N 3.15Å
344L96.9Very high96.8Very high22 Ų2270.8 Ų70.812%0.11536%0.355CS..SBendtrans-91.3138.4-173.6-60.7-177.8000112.2L260 L265 L311 A313 L340 L341 L346L260-L344 HydrophobicContact CD1-CD2 4.16Å; L260-L344 HydrophobicContact CD2-CD2 4.01Å; L265-L344 HydrophobicContact CD2-CD1 3.73Å; L311-L344 HydrophobicContact CB-CD2 3.47Å; L311-L344 VanDerWaalsContact CB-CD2 3.47Å; L311-L344 HydrophobicContact CD1-CD2 4.23Å; A313-L344 HydrophobicContact CB-CD1 3.96Å; L340-L344 HydrophobicContact CD1-CD2 4.48Å; L341-L344 HydrophobicContact CD2-CD1 3.93Å; L341-L344 PolarHBondContact O-N 3.3Å; L344-L346 PolarHBondContact O-N 3.09Å
345H97.9Very high96.5Very high98 Ų9867.4 Ų67.445%0.45434%0.34SS..EExtended strand (participates in β ladder)trans-78.8101.4161.5-62.8-74.5000109.2L311 F312 A313L311-H345 WeakPolarHBondContact O-CB 3.32Å; L311-H345 PolarHBondContact O-CD2 3.35Å; L311-H345 PolarHBondContact O-N 3.18Å; F312-H345 WeakPolarHBondContact CA-O 3.3Å; F312-H345 HydrophobicContact CD1-CB 3.48Å; F312-H345 VanDerWaalsContact CD1-CB 3.48Å; F312-H345 HydrophobicContact CE1-CB 3.61Å; F312-H345 HydrophobicContact CG-CB 4.2Å; F312-H345 HydrophobicContact CZ-CB 4.42Å; A313-H345 PolarHBondContact N-O 2.9Å; A313-H345 VanDerWaalsContact N-O 3.17Å
346L97.9Very high96.3Very high77 Ų7768 Ų6840%0.40334%0.336SS..EExtended strand (participates in β ladder)trans-72.2130.9172.7-174.259.7000109.9A313 H315 V318 L344A313-L346 WeakPolarHBondContact O-CA 3.22Å; A313-L346 WeakPolarHBondContact O-CD1 3.31Å; H315-L346 WeakPolarHBondContact CE1-CD2 2.79Å; V318-L346 HydrophobicContact CB-CD1 4Å; V318-L346 HydrophobicContact CG2-CD1 3.72Å; L344-L346 PolarHBondContact O-N 3.09Å
347V97.8Very high96Very high31 Ų3173.2 Ų73.219%0.18836%0.356CS..EExtended strand (participates in β ladder)trans-133.1157.6-176.1-65.20000111.9F312 A313 C314 H315 T374 L378F312-V347 HydrophobicContact CD1-CG1 3.78Å; F312-V347 HydrophobicContact CE1-CG1 4.36Å; A313-V347 PolarHBondContact O-N 3.34Å; A313-V347 VanDerWaalsContact O-N 3.13Å; C314-V347 CarbonylContact C-O 3.47Å; C314-V347 VanDerWaalsContact CA-O 3.31Å; C314-V347 WeakPolarHBondContact CA-O 3.37Å; C314-V347 HydrophobicContact CB-CG2 4.19Å; H315-V347 PolarHBondContact CD2-O 3.32Å; H315-V347 PolarHBondContact N-O 3.33Å; V347-T374 HydrophobicContact CG2-CG2 3.99Å; V347-L378 HydrophobicContact CG2-CD1 4.02Å
348D97.4Very high95.7Very high119 Ų11973.6 Ų73.664%0.63636%0.358SS*.  trans-63150.5173-68.7-37.2000112.7H315 Q350 T374H315-D348 IonicContact CD2-OD1 2.75Å; H315-D348 IonicContact NE2-OD1 3.12Å; D348-Q350 PolarHBondContact O-N 3.16Å; D348-T374 WeakPolarHBondContact O-CG2 3.42Å
349D96.8Very high95.5Very high72 Ų7271.5 Ų71.539%0.38536%0.355SS..  trans-71.393.1174.5-65-30.6000109.5C314 H315 A316 P351C314-D349 VanDerWaalsContact CB-OD1 3.24Å; C314-D349 WeakPolarHBondContact CB-OD1 3.29Å; C314-D349 PolarHBondContact SG-OD1 3.21Å; H315-D349 PolarHBondContact N-OD1 3.47Å; A316-D349 WeakPolarHBondContact CB-OD1 3.19Å; A316-D349 WeakPolarHBondContact CB-OD2 3.48Å; A316-D349 PolarHBondContact N-OD1 3.39Å; A316-D349 PolarHBondContact N-OD2 2.63Å; D349-P351 VanDerWaalsContact C-CD 3.47Å; D349-P351 VanDerWaalsContact O-CD 3.29Å; D349-P351 WeakPolarHBondContact O-CD 3.2Å
350Q95.6Very high95.1Very high92 Ų9272.3 Ų72.343%0.4336%0.362SS..  trans-12079.5-179.1-166.2169.313.800111.8D348 S352 T374 F377D348-Q350 PolarHBondContact O-N 3.16Å; Q350-S352 PolarHBondContact O-N 3.03Å; Q350-T374 PolarHBondContact N-OG1 3Å; Q350-T374 WeakPolarHBondContact O-CA 3.29Å; Q350-F377 HydrophobicContact CB-CD1 4.17Å; Q350-F377 HydrophobicContact CB-CE1 4.43Å; Q350-F377 HydrophobicContact CG-CD1 3.98Å; Q350-F377 HydrophobicContact CG-CD2 4.34Å; Q350-F377 HydrophobicContact CG-CE1 3.98Å; Q350-F377 HydrophobicContact CG-CE2 4.32Å; Q350-F377 HydrophobicContact CG-CG 4.18Å; Q350-F377 HydrophobicContact CG-CZ 4.15Å; Q350-F377 WeakPolarHBondContact O-CB 3.48Å
351P95.4Very high94.8Very high17 Ų1774.8 Ų74.811%0.1138%0.379CS..  trans-59.5136.7174.5-19.526.5000112.7D349 R356 L369D349-P351 VanDerWaalsContact C-CD 3.47Å; D349-P351 VanDerWaalsContact O-CD 3.29Å; D349-P351 WeakPolarHBondContact O-CD 3.2Å; P351-R356 HydrophobicContact CB-CG 4.07Å; P351-R356 PolarHBondContact O-NE 3.35Å; P351-R356 PolarHBondContact O-NH2 3.16Å; P351-L369 HydrophobicContact CB-CD2 3.83Å; P351-L369 HydrophobicContact CG-CD2 3.9Å
352S94.5Very high94.2Very high10 Ų1078.1 Ų78.17%0.0741%0.412CS..  trans-63158.2172.981.90000112.7Q350 R354 S355 R356 G373 D376Q350-S352 PolarHBondContact O-N 3.03Å; S352-R354 VanDerWaalsContact C-N 3.27Å; S352-R354 PolarHBondContact O-N 3.33Å; S352-R354 WeakPolarHBondContact OG-CG 3.44Å; S352-S355 WeakPolarHBondContact O-CB 3.28Å; S352-S355 PolarHBondContact O-N 2.82Å; S352-S355 PolarHBondContact OG-N 3Å; S352-S355 PolarHBondContact OG-OG 3.14Å; S352-R356 WeakPolarHBondContact O-CG 3.48Å; S352-R356 PolarHBondContact O-N 3.23Å; S352-G373 PolarHBondContact N-O 3.16Å; S352-D376 VanDerWaalsContact CB-OD2 3.22Å; S352-D376 WeakPolarHBondContact CB-OD2 3.26Å; S352-D376 PolarHBondContact OG-OD2 2.89Å
353E92.8Very high93.6Very high133 Ų13380.6 Ų80.662%0.62141%0.406SS*.Hα-helixtrans-53.2-42.6176.7-78.8-61.2135.800112.9S355 R356 R357E353-S355 VanDerWaalsContact C-N 3.35Å; E353-R356 PolarHBondContact O-N 3.32Å; E353-R357 PolarHBondContact O-N 2.95Å; E353-R357 PolarHBondContact O-NH1 3.18Å; E353-R357 IonicContact OE2-NH1 3.89Å
354R91.8Very high93.3Very high72 Ų7274.9 Ų74.927%0.27239%0.385SS..Hα-helixtrans-70.6-31.8179.168.1179.6-172.2155.97.4112.6S352 R357 D376 V398 R399S352-R354 VanDerWaalsContact C-N 3.27Å; S352-R354 PolarHBondContact O-N 3.33Å; S352-R354 WeakPolarHBondContact OG-CG 3.44Å; R354-R357 PolarHBondContact O-N 2.9Å; R354-D376 WeakPolarHBondContact CG-OD2 3.19Å; R354-D376 IonicContact CZ-OD1 3.59Å; R354-D376 VanDerWaalsContact CZ-OD1 3.25Å; R354-D376 IonicContact CZ-OD2 2.68Å; R354-D376 VanDerWaalsContact NE-CG 3.33Å; R354-D376 IonicContact NE-OD1 2.75Å; R354-D376 PolarHBondContact NE-OD1 2.89Å; R354-D376 VanDerWaalsContact NE-OD1 3.16Å; R354-D376 IonicContact NE-OD2 3.25Å; R354-D376 PolarHBondContact NE-OD2 3.12Å; R354-D376 IonicContact NH2-OD1 3.78Å; R354-D376 PolarHBondContact NH2-OD1 3Å; R354-D376 IonicContact NH2-OD2 3.6Å; R354-V398 HydrophobicContact CB-CG2 4.49Å; R354-V398 HydrophobicContact CG-CG1 4.05Å; R354-R399 PolarHBondContact NH1-O 3.36Å; R354-R399 PolarHBondContact NH2-O 3.11Å
355S93.1Very high93Very high0 Ų076.3 Ų76.30%039%0.393CS..Hα-helixtrans-67.8-38.8174.3-60.60000112.3S352 E353 R357 L358 L369 G373 Y400S352-S355 WeakPolarHBondContact O-CB 3.28Å; S352-S355 PolarHBondContact O-N 2.82Å; S352-S355 PolarHBondContact OG-N 3Å; S352-S355 PolarHBondContact OG-OG 3.14Å; E353-S355 VanDerWaalsContact C-N 3.35Å; S355-R357 PolarHBondContact O-N 3.35Å; S355-L358 WeakPolarHBondContact O-CB 3.33Å; S355-L358 PolarHBondContact O-N 3.49Å; S355-L369 WeakPolarHBondContact O-CD1 3.31Å; S355-G373 WeakPolarHBondContact OG-CA 3.46Å; S355-Y400 WeakPolarHBondContact CA-OH 3.4Å; S355-Y400 WeakPolarHBondContact CB-OH 3.41Å; S355-Y400 VanDerWaalsContact OG-CE1 3.26Å; S355-Y400 WeakPolarHBondContact OG-CE1 3.43Å; S355-Y400 PolarHBondContact OG-OH 3.13Å
356R93.1Very high92.7Very high143 Ų14382.5 Ų82.554%0.5441%0.412SS..Hα-helixtrans-64.8-25.4178.5-68.9173.9-174.3-102.31.1113.2P351 S352 E353 L358P351-R356 HydrophobicContact CB-CG 4.07Å; P351-R356 PolarHBondContact O-NE 3.35Å; P351-R356 PolarHBondContact O-NH2 3.16Å; S352-R356 WeakPolarHBondContact O-CG 3.48Å; S352-R356 PolarHBondContact O-N 3.23Å; E353-R356 PolarHBondContact O-N 3.32Å; R356-L358 VanDerWaalsContact C-N 3.3Å; R356-L358 PolarHBondContact O-N 2.79Å
357R92.6Very high92.4Very high172 Ų17284.1 Ų84.165%0.64941%0.413SS*.THydrogen-bonded Turntrans-79.8-5177.1-68.5-170.7-65.8-92.58.5114.5E353 R354 S355E353-R357 PolarHBondContact O-N 2.95Å; E353-R357 PolarHBondContact O-NH1 3.18Å; E353-R357 IonicContact OE2-NH1 3.89Å; R354-R357 PolarHBondContact O-N 2.9Å; S355-R357 PolarHBondContact O-N 3.35Å
358L92.8Very high92.2Very high8 Ų882.8 Ų82.84%0.04241%0.405CS..SBendtrans-68.9132.3176.7-71.7173000111S355 R356 P360 V364 L369 F389 A393 Q396 V398 Y400S355-L358 WeakPolarHBondContact O-CB 3.33Å; S355-L358 PolarHBondContact O-N 3.49Å; R356-L358 VanDerWaalsContact C-N 3.3Å; R356-L358 PolarHBondContact O-N 2.79Å; L358-P360 WeakPolarHBondContact O-CD 3.33Å; L358-V364 HydrophobicContact CB-CG1 4.06Å; L358-V364 HydrophobicContact CD1-CG1 4.34Å; L358-L369 HydrophobicContact CB-CD1 4.44Å; L358-F389 HydrophobicContact CD1-CZ 4.35Å; L358-A393 HydrophobicContact CD1-CB 3.96Å; L358-A393 HydrophobicContact CD2-CB 4.25Å; L358-Q396 HydrophobicContact CD2-CB 3.61Å; L358-Q396 HydrophobicContact CD2-CG 4.34Å; L358-Q396 VanDerWaalsContact CD2-OE1 3.26Å; L358-V398 HydrophobicContact CD2-CB 3.93Å; L358-V398 HydrophobicContact CD2-CG2 3.64Å; L358-V398 HydrophobicContact CG-CB 4.48Å; L358-V398 HydrophobicContact CG-CG2 4.11Å; L358-Y400 HydrophobicContact CD1-CE2 4.19Å; L358-Y400 VanDerWaalsContact CD1-OH 3.26Å; L358-Y400 WeakPolarHBondContact CD1-OH 3.22Å
359T92.2Very high92.1Very high96 Ų9678.5 Ų78.559%0.58938%0.382SS*.PPolyproline II helixtrans-70.6122.2173.7-52.90000109.7Q396T359-Q396 PolarHBondContact O-NE2 2.83Å; T359-Q396 PolarHBondContact O-OE1 3.34Å
360P91Very high92Very high107 Ų10775.7 Ų75.770%0.69537%0.369SS*.PPolyproline II helixtrans-58.4143.2178.6-24.834.5000112.6L358L358-P360 WeakPolarHBondContact O-CD 3.33Å
361S90.6Very high92.1Very high55 Ų5571.3 Ų71.339%0.38535%0.348SS..BIsolated β-bridgetrans-156.2173.9172.667.90000110.2K363 V364S361-K363 PolarHBondContact O-N 3.23Å; S361-K363 VanDerWaalsContact O-N 3.08Å; S361-K363 PolarHBondContact OG-N 3.03Å; S361-V364 PolarHBondContact N-O 2.98Å; S361-V364 VanDerWaalsContact N-O 3.1Å; S361-V364 CarbonylContact O-C 3.49Å; S361-V364 PolarHBondContact O-N 3.4Å; S361-V364 PolarHBondContact OG-N 3.29Å; S361-V364 VanDerWaalsContact OG-N 3.09Å
362A84.3Confident92.2Very high105 Ų10570.5 Ų70.587%0.86834%0.343SS*.THydrogen-bonded Turntrans-55.4-28.9172.500000113
363K86Confident92.2Very high141 Ų14170 Ų7061%0.61334%0.339SS*.THydrogen-bonded Turntrans-90.3-18.4178-60.2175.1-174.6171.60113S361 F389 A392S361-K363 PolarHBondContact O-N 3.23Å; S361-K363 VanDerWaalsContact O-N 3.08Å; S361-K363 PolarHBondContact OG-N 3.03Å; K363-F389 WeakPolarHBondContact O-CD2 3.35Å; K363-A392 HydrophobicContact CB-CB 3.75Å
364V89Confident92.5Very high2 Ų263.8 Ų63.81%0.01231%0.31CS..BIsolated β-bridgetrans-121.174.9179.8-1760000107.6L358 S361 F389 A392L358-V364 HydrophobicContact CB-CG1 4.06Å; L358-V364 HydrophobicContact CD1-CG1 4.34Å; S361-V364 PolarHBondContact N-O 2.98Å; S361-V364 VanDerWaalsContact N-O 3.1Å; S361-V364 CarbonylContact O-C 3.49Å; S361-V364 PolarHBondContact O-N 3.4Å; S361-V364 PolarHBondContact OG-N 3.29Å; S361-V364 VanDerWaalsContact OG-N 3.09Å; V364-F389 HydrophobicContact CB-CE2 4.42Å; V364-F389 HydrophobicContact CG1-CE2 3.92Å; V364-A392 HydrophobicContact CG2-CB 3.67Å
365N90.8Very high92.7Very high53 Ų5360.3 Ų60.328%0.28330%0.297SS..  trans-86.8160.118064.363.8000111.2R367 S368 L369N365-R367 PolarHBondContact O-N 2.77Å; N365-R367 WeakPolarHBondContact OD1-CB 3.26Å; N365-R367 PolarHBondContact OD1-N 3.21Å; N365-S368 PolarHBondContact ND2-OG 2.99Å; N365-S368 PolarHBondContact O-N 3.25Å; N365-S368 PolarHBondContact OD1-N 2.88Å; N365-S368 PolarHBondContact OD1-OG 2.96Å; N365-L369 WeakPolarHBondContact O-CB 3.43Å; N365-L369 PolarHBondContact O-N 3.41Å
366R90.9Very high92.8Very high228 Ų22861 Ų6186%0.8630%0.301SS*.Hα-helixtrans-55.5-36.3-178.1-174.6176.6176.6178.9-1.1113L369 A370R366-L369 PolarHBondContact O-N 3.48Å; R366-A370 PolarHBondContact O-N 2.78Å
367R91.6Very high92.9Very high110 Ų11058.8 Ų58.842%0.41530%0.295SS..Hα-helixtrans-68.1-52.9-179.8174.3178.369.4173.7-0.4112.2I262 D320 N365 L369 A370 I371I262-R367 HydrophobicContact CD1-CG 4.18Å; D320-R367 WeakPolarHBondContact OD2-CD 3.41Å; D320-R367 IonicContact OD2-CZ 3.44Å; D320-R367 IonicContact OD2-NE 2.64Å; D320-R367 IonicContact OD2-NH1 3.52Å; D320-R367 PolarHBondContact OD2-NH1 3.47Å; N365-R367 PolarHBondContact O-N 2.77Å; N365-R367 WeakPolarHBondContact OD1-CB 3.26Å; N365-R367 PolarHBondContact OD1-N 3.21Å; R367-L369 PolarHBondContact O-N 2.98Å; R367-A370 WeakPolarHBondContact O-CB 3.31Å; R367-A370 PolarHBondContact O-N 3.4Å; R367-I371 HydrophobicContact CG-CD1 3.94Å; R367-I371 WeakPolarHBondContact O-CG1 3.34Å; R367-I371 PolarHBondContact O-N 3.26Å
368S93.9Very high92.9Very high3 Ų352 Ų522%0.02127%0.272CS..Hα-helixtrans-61.8-34.3176.1-61.40000110.7N365 I371 F372 N386N365-S368 PolarHBondContact ND2-OG 2.99Å; N365-S368 PolarHBondContact O-N 3.25Å; N365-S368 PolarHBondContact OD1-N 2.88Å; N365-S368 PolarHBondContact OD1-OG 2.96Å; S368-I371 PolarHBondContact O-N 2.86Å; S368-F372 WeakPolarHBondContact O-CB 3.49Å; S368-F372 WeakPolarHBondContact O-CD2 3.32Å; S368-F372 PolarHBondContact O-N 3.31Å; S368-N386 PolarHBondContact OG-ND2 3.3Å
369L94.5Very high93Very high30 Ų3058.8 Ų58.816%0.15730%0.297CS..Hα-helixtrans-62.2-43.3171.6-169.6152.7000112.2P351 S355 L358 N365 R366 R367 G373P351-L369 HydrophobicContact CB-CD2 3.83Å; P351-L369 HydrophobicContact CG-CD2 3.9Å; S355-L369 WeakPolarHBondContact O-CD1 3.31Å; L358-L369 HydrophobicContact CB-CD1 4.44Å; N365-L369 WeakPolarHBondContact O-CB 3.43Å; N365-L369 PolarHBondContact O-N 3.41Å; R366-L369 PolarHBondContact O-N 3.48Å; R367-L369 PolarHBondContact O-N 2.98Å; L369-G373 VanDerWaalsContact O-CA 3.29Å; L369-G373 WeakPolarHBondContact O-CA 3.48Å; L369-G373 PolarHBondContact O-N 3.44Å
370A96.1Very high93.1Very high13 Ų1354.2 Ų54.211%0.10727%0.269CS..Hα-helixtrans-60.5-50.9175.600000112.3A316 R366 R367 T374A316-A370 HydrophobicContact CB-CB 4.24Å; R366-A370 PolarHBondContact O-N 2.78Å; R367-A370 WeakPolarHBondContact O-CB 3.31Å; R367-A370 PolarHBondContact O-N 3.4Å; A370-T374 VanDerWaalsContact O-CB 3.23Å; A370-T374 WeakPolarHBondContact O-CB 3.03Å; A370-T374 PolarHBondContact O-N 2.8Å; A370-T374 PolarHBondContact O-OG1 3.39Å
371I96.8Very high93.3Very high0 Ų049.2 Ų49.20%024%0.236CC..Hα-helixtrans-66.1-55.6-175.5-61.3173.1000111.3N259 D261 I262 A317 R367 S368 G373 T374 G375N259-I371 PolarHBondContact ND2-O 3.11Å; D261-I371 HydrophobicContact CB-CG2 4.1Å; D261-I371 WeakPolarHBondContact OD1-CD1 3.38Å; I262-I371 HydrophobicContact CD1-CD1 3.56Å; I262-I371 HydrophobicContact CG1-CD1 3.84Å; A317-I371 HydrophobicContact CB-CD1 3.98Å; A317-I371 HydrophobicContact CB-CG1 3.99Å; R367-I371 HydrophobicContact CG-CD1 3.94Å; R367-I371 WeakPolarHBondContact O-CG1 3.34Å; R367-I371 PolarHBondContact O-N 3.26Å; S368-I371 PolarHBondContact O-N 2.86Å; I371-G373 VanDerWaalsContact C-N 3.35Å; I371-T374 PolarHBondContact O-N 2.81Å; I371-G375 PolarHBondContact O-N 3.49Å
372F97Very high93.6Very high0 Ų046.6 Ų46.60%022%0.218CC..Hα-helixtrans-70.4-35.5-177.1-73.8-102.7000111.2S368 G375 D376 T382 T384 N386 F389 V390 Y400 V402S368-F372 WeakPolarHBondContact O-CB 3.49Å; S368-F372 WeakPolarHBondContact O-CD2 3.32Å; S368-F372 PolarHBondContact O-N 3.31Å; F372-G375 PolarHBondContact O-N 2.81Å; F372-D376 VanDerWaalsContact O-CB 3.29Å; F372-D376 WeakPolarHBondContact O-CB 3.47Å; F372-D376 PolarHBondContact O-N 3.12Å; F372-T382 HydrophobicContact CD1-CG2 3.96Å; F372-T382 HydrophobicContact CE1-CG2 3.97Å; F372-T382 HydrophobicContact CG-CG2 4.35Å; F372-T382 HydrophobicContact CZ-CG2 4.39Å; F372-T384 HydrophobicContact CE1-CG2 3.86Å; F372-T384 HydrophobicContact CZ-CG2 3.72Å; F372-N386 HydrophobicContact CZ-CB 4.43Å; F372-F389 HydrophobicContact CB-CD1 4.2Å; F372-F389 HydrophobicContact CB-CE1 3.41Å; F372-F389 VanDerWaalsContact CB-CE1 3.41Å; F372-F389 HydrophobicContact CB-CZ 4.03Å; F372-F389 AromaticContact CD1-CD1 3.74Å; F372-F389 HydrophobicContact CD1-CD1 3.74Å; F372-F389 AromaticContact CD1-CE1 3.73Å; F372-F389 HydrophobicContact CD1-CE1 3.73Å; F372-F389 AromaticContact CD2-CD1 3.49Å; F372-F389 HydrophobicContact CD2-CD1 3.49Å; F372-F389 VanDerWaalsContact CD2-CD1 3.49Å; F372-F389 AromaticContact CD2-CE1 3.54Å; F372-F389 HydrophobicContact CD2-CE1 3.54Å; F372-F389 HydrophobicContact CD2-CG 4.27Å; F372-F389 HydrophobicContact CD2-CZ 4.31Å; F372-F389 AromaticContact CE1-CD1 3.87Å; F372-F389 HydrophobicContact CE1-CD1 3.87Å; F372-F389 HydrophobicContact CE1-CE1 4.34Å; F372-F389 HydrophobicContact CE2-CB 4.45Å; F372-F389 AromaticContact CE2-CD1 3.62Å; F372-F389 HydrophobicContact CE2-CD1 3.62Å; F372-F389 HydrophobicContact CE2-CE1 4.17Å; F372-F389 HydrophobicContact CE2-CG 4.18Å; F372-F389 AromaticContact CG-CD1 3.53Å; F372-F389 HydrophobicContact CG-CD1 3.53Å; F372-F389 AromaticContact CG-CE1 3.25Å; F372-F389 HydrophobicContact CG-CE1 3.25Å; F372-F389 HydrophobicContact CG-CZ 4.21Å; F372-F389 AromaticContact CZ-CD1 3.8Å; F372-F389 HydrophobicContact CZ-CD1 3.8Å; F372-V390 HydrophobicContact CE1-CG2 3.65Å; F372-V390 HydrophobicContact CZ-CG2 4.14Å; F372-Y400 HydrophobicContact CB-CD1 4.38Å; F372-Y400 HydrophobicContact CB-CD2 4.41Å; F372-Y400 HydrophobicContact CB-CE1 4.26Å; F372-Y400 HydrophobicContact CB-CE2 4.27Å; F372-Y400 HydrophobicContact CB-CG 4.46Å; F372-Y400 HydrophobicContact CD1-CD2 4.34Å; F372-Y400 HydrophobicContact CD1-CG 4.37Å; F372-V402 HydrophobicContact CD1-CG1 4.15Å; F372-V402 HydrophobicContact CE1-CG1 3.88Å
373G96.5Very high94.3Very high0 Ų041.6 Ų41.60%018%0.177CC..Hα-helixtrans-68.7-35.3176.800000113.3S352 S355 L369 I371 D376 F377S352-G373 PolarHBondContact N-O 3.16Å; S355-G373 WeakPolarHBondContact OG-CA 3.46Å; L369-G373 VanDerWaalsContact O-CA 3.29Å; L369-G373 WeakPolarHBondContact O-CA 3.48Å; L369-G373 PolarHBondContact O-N 3.44Å; I371-G373 VanDerWaalsContact C-N 3.35Å; G373-D376 WeakPolarHBondContact O-CB 3.22Å; G373-D376 PolarHBondContact O-N 3.35Å; G373-F377 WeakPolarHBondContact O-CB 3.37Å; G373-F377 PolarHBondContact O-N 2.65Å
374T97.3Very high94.8Very high1 Ų134.9 Ų34.91%0.00615%0.148CC..Hα-helixtrans-70.2-43.2175.1-55.10000110.7C314 V347 D348 Q350 A370 I371 D376 F377 L378C314-T374 HydrophobicContact CB-CG2 3.9Å; V347-T374 HydrophobicContact CG2-CG2 3.99Å; D348-T374 WeakPolarHBondContact O-CG2 3.42Å; Q350-T374 PolarHBondContact N-OG1 3Å; Q350-T374 WeakPolarHBondContact O-CA 3.29Å; A370-T374 VanDerWaalsContact O-CB 3.23Å; A370-T374 WeakPolarHBondContact O-CB 3.03Å; A370-T374 PolarHBondContact O-N 2.8Å; A370-T374 PolarHBondContact O-OG1 3.39Å; I371-T374 PolarHBondContact O-N 2.81Å; T374-D376 VanDerWaalsContact C-N 3.26Å; T374-D376 PolarHBondContact O-N 3Å; T374-F377 PolarHBondContact O-N 3.11Å; T374-L378 HydrophobicContact CG2-CD1 4.06Å; T374-L378 HydrophobicContact CG2-CG 4.48Å; T374-L378 WeakPolarHBondContact O-CB 3.25Å; T374-L378 VanDerWaalsContact O-CG 3.32Å; T374-L378 WeakPolarHBondContact O-CG 3.38Å; T374-L378 PolarHBondContact O-N 2.88Å
375G96.3Very high95.2Very high0 Ų035.7 Ų35.70%016%0.155CC..Hα-helixtrans-56.6-42.4171.300000112.2N259 I371 F372 L378 R379 A380N259-G375 WeakPolarHBondContact ND2-CA 3.37Å; I371-G375 PolarHBondContact O-N 3.49Å; F372-G375 PolarHBondContact O-N 2.81Å; G375-L378 PolarHBondContact O-N 3.31Å; G375-R379 PolarHBondContact O-N 3.44Å; G375-A380 CarbonylContact C-O 3.56Å; G375-A380 PolarHBondContact O-N 2.59Å
376D94.9Very high95.4Very high14 Ų1434.9 Ų34.98%0.07515%0.15CC..Hα-helixtrans-63-45.1176-166.759.4000113.7Y156 S352 R354 F372 G373 T374 L378 R379 Y400Y156-D376 WeakPolarHBondContact CE1-OD1 3.27Å; Y156-D376 WeakPolarHBondContact OH-CA 3.4Å; S352-D376 VanDerWaalsContact CB-OD2 3.22Å; S352-D376 WeakPolarHBondContact CB-OD2 3.26Å; S352-D376 PolarHBondContact OG-OD2 2.89Å; R354-D376 WeakPolarHBondContact CG-OD2 3.19Å; R354-D376 IonicContact CZ-OD1 3.59Å; R354-D376 VanDerWaalsContact CZ-OD1 3.25Å; R354-D376 IonicContact CZ-OD2 2.68Å; R354-D376 VanDerWaalsContact NE-CG 3.33Å; R354-D376 IonicContact NE-OD1 2.75Å; R354-D376 PolarHBondContact NE-OD1 2.89Å; R354-D376 VanDerWaalsContact NE-OD1 3.16Å; R354-D376 IonicContact NE-OD2 3.25Å; R354-D376 PolarHBondContact NE-OD2 3.12Å; R354-D376 IonicContact NH2-OD1 3.78Å; R354-D376 PolarHBondContact NH2-OD1 3Å; R354-D376 IonicContact NH2-OD2 3.6Å; F372-D376 VanDerWaalsContact O-CB 3.29Å; F372-D376 WeakPolarHBondContact O-CB 3.47Å; F372-D376 PolarHBondContact O-N 3.12Å; G373-D376 WeakPolarHBondContact O-CB 3.22Å; G373-D376 PolarHBondContact O-N 3.35Å; T374-D376 VanDerWaalsContact C-N 3.26Å; T374-D376 PolarHBondContact O-N 3Å; D376-L378 VanDerWaalsContact C-N 3.33Å; D376-L378 PolarHBondContact O-N 3.01Å; D376-R379 PolarHBondContact O-N 3.44Å; D376-R379 VanDerWaalsContact O-N 3.15Å; D376-Y400 HydrophobicContact CB-CD1 3.87Å; D376-Y400 HydrophobicContact CB-CE1 3.76Å
377F95.2Very high95.5Very high96 Ų9626 Ų2642%0.42112%0.123SC..Hα-helixtrans-60.5-42.6176.2174.3-99.5000111.9Q350 G373 T374 R379Q350-F377 HydrophobicContact CB-CD1 4.17Å; Q350-F377 HydrophobicContact CB-CE1 4.43Å; Q350-F377 HydrophobicContact CG-CD1 3.98Å; Q350-F377 HydrophobicContact CG-CD2 4.34Å; Q350-F377 HydrophobicContact CG-CE1 3.98Å; Q350-F377 HydrophobicContact CG-CE2 4.32Å; Q350-F377 HydrophobicContact CG-CG 4.18Å; Q350-F377 HydrophobicContact CG-CZ 4.15Å; Q350-F377 WeakPolarHBondContact O-CB 3.48Å; G373-F377 WeakPolarHBondContact O-CB 3.37Å; G373-F377 PolarHBondContact O-N 2.65Å; T374-F377 PolarHBondContact O-N 3.11Å; F377-R379 PolarHBondContact O-N 3.38Å
378L94.4Very high95.6Very high30 Ų3029.1 Ų29.116%0.15714%0.135CC..THydrogen-bonded Turntrans-74.3-7.6178.7-66.7173.5000114R257 F312 V347 T374 G375 D376 A380R257-L378 PolarHBondContact NH1-O 2.93Å; F312-L378 HydrophobicContact CB-CD1 4.33Å; F312-L378 HydrophobicContact CD1-CD1 4.23Å; F312-L378 HydrophobicContact CG-CD1 4.29Å; V347-L378 HydrophobicContact CG2-CD1 4.02Å; T374-L378 HydrophobicContact CG2-CD1 4.06Å; T374-L378 HydrophobicContact CG2-CG 4.48Å; T374-L378 WeakPolarHBondContact O-CB 3.25Å; T374-L378 VanDerWaalsContact O-CG 3.32Å; T374-L378 WeakPolarHBondContact O-CG 3.38Å; T374-L378 PolarHBondContact O-N 2.88Å; G375-L378 PolarHBondContact O-N 3.31Å; D376-L378 VanDerWaalsContact C-N 3.33Å; D376-L378 PolarHBondContact O-N 3.01Å; L378-A380 HydrophobicContact CB-CB 4.05Å; L378-A380 PolarHBondContact O-N 2.91Å
379R93.3Very high95.6Very high150 Ų15029 Ų2957%0.56613%0.134SC*.THydrogen-bonded Turntrans54.737.5-167.3-52.2-177.9109.5-178.33.2111.8Y156 C255 G375 D376 F377Y156-R379 HydrophobicContact CD1-CB 4.14Å; Y156-R379 HydrophobicContact CD1-CG 4.46Å; Y156-R379 VanDerWaalsContact CD2-C 3.42Å; Y156-R379 HydrophobicContact CD2-CB 4.34Å; Y156-R379 WeakPolarHBondContact CD2-O 3.38Å; Y156-R379 VanDerWaalsContact CE2-C 3.47Å; Y156-R379 HydrophobicContact CG-CB 3.95Å; C255-R379 PolarHBondContact SG-O 3.14Å; G375-R379 PolarHBondContact O-N 3.44Å; D376-R379 PolarHBondContact O-N 3.44Å; D376-R379 VanDerWaalsContact O-N 3.15Å; F377-R379 PolarHBondContact O-N 3.38Å
380A94.9Very high95.6Very high0 Ų028.6 Ų28.60%013%0.133CC..  trans-101.8131.1179.800000110.6Y156 R257 N259 G375 L378 T382Y156-A380 WeakPolarHBondContact CE2-O 3.38Å; Y156-A380 PolarHBondContact OH-O 3.24Å; R257-A380 HydrophobicContact CB-CB 3.73Å; R257-A380 VanDerWaalsContact O-CA 3.31Å; R257-A380 WeakPolarHBondContact O-CA 3.48Å; N259-A380 HydrophobicContact CB-CB 3.95Å; G375-A380 CarbonylContact C-O 3.56Å; G375-A380 PolarHBondContact O-N 2.59Å; L378-A380 HydrophobicContact CB-CB 4.05Å; L378-A380 PolarHBondContact O-N 2.91Å; A380-T382 PolarHBondContact O-N 2.98Å
381V95.3Very high95.4Very high3 Ų335.3 Ų35.32%0.01816%0.155CC..EExtended strand (participates in β ladder)trans-66.6123.1178.8-179.50000108.3N155 Y156 C255 R257 V258 N259 F305 M383 F403N155-V381 HydrophobicContact CB-CG2 3.92Å; Y156-V381 HydrophobicContact CD2-CG2 4.28Å; Y156-V381 HydrophobicContact CE2-CG2 4.3Å; C255-V381 HydrophobicContact CB-CG2 4.21Å; R257-V381 PolarHBondContact O-N 3.48Å; V258-V381 WeakPolarHBondContact CA-O 3.38Å; N259-V381 PolarHBondContact N-O 3.25Å; F305-V381 HydrophobicContact CE1-CB 4.34Å; F305-V381 HydrophobicContact CE1-CG1 4.18Å; F305-V381 HydrophobicContact CZ-CB 3.89Å; F305-V381 HydrophobicContact CZ-CG1 3.64Å; F305-V381 HydrophobicContact CZ-CG2 4.43Å; V381-M383 PolarHBondContact O-N 3.01Å; V381-F403 HydrophobicContact CG1-CB 4.18Å
382T97.3Very high95.2Very high0 Ų035.9 Ų35.90%016%0.16CC..EExtended strand (participates in β ladder)trans-84.7114.8-177.8-61.80000110.1N259 D261 F372 A380 S401 V402 F403N259-T382 PolarHBondContact ND2-OG1 2.98Å; N259-T382 VanDerWaalsContact ND2-OG1 3.11Å; N259-T382 CarbonylContact O-C 3.6Å; N259-T382 VanDerWaalsContact O-CA 3.26Å; N259-T382 WeakPolarHBondContact O-CA 3.39Å; D261-T382 HydrophobicContact CB-CG2 4.4Å; F372-T382 HydrophobicContact CD1-CG2 3.96Å; F372-T382 HydrophobicContact CE1-CG2 3.97Å; F372-T382 HydrophobicContact CG-CG2 4.35Å; F372-T382 HydrophobicContact CZ-CG2 4.39Å; A380-T382 PolarHBondContact O-N 2.98Å; T382-S401 PolarHBondContact N-O 3.28Å; T382-V402 CarbonylContact O-C 3.53Å; T382-V402 WeakPolarHBondContact O-CA 3.46Å; T382-V402 WeakPolarHBondContact O-CB 3.38Å; T382-F403 PolarHBondContact O-N 3.27Å
383M97.6Very high95Very high0 Ų035.9 Ų35.90%016%0.16CC..EExtended strand (participates in β ladder)trans-77.6133.9170.2-63.5179.987.900109V258 N259 D261 T264 L302 F305 M306 V381 F403V258-M383 HydrophobicContact CG1-CG 3.5Å; V258-M383 HydrophobicContact CG1-SD 3.46Å; V258-M383 WeakPolarHBondContact CG1-SD 3.39Å; N259-M383 PolarHBondContact O-N 3.3Å; D261-M383 WeakPolarHBondContact CB-O 3.16Å; D261-M383 PolarHBondContact N-O 3.22Å; D261-M383 VanDerWaalsContact N-O 3.1Å; T264-M383 HydrophobicContact CG2-CB 3.75Å; T264-M383 HydrophobicContact CG2-CE 4.4Å; T264-M383 HydrophobicContact CG2-SD 4.21Å; T264-M383 WeakPolarHBondContact OG1-CB 3.33Å; T264-M383 PolarHBondContact OG1-O 3.33Å; L302-M383 HydrophobicContact CB-CE 4.14Å; L302-M383 HydrophobicContact CD2-CE 3.35Å; L302-M383 HydrophobicContact CG-CE 4.34Å; F305-M383 HydrophobicContact CB-CE 4.18Å; F305-M383 HydrophobicContact CD1-CE 3.68Å; F305-M383 HydrophobicContact CD1-CG 3.85Å; F305-M383 HydrophobicContact CD1-SD 3.69Å; F305-M383 HydrophobicContact CE1-CG 3.83Å; F305-M383 HydrophobicContact CE1-SD 4.19Å; F305-M383 HydrophobicContact CG-CE 4.3Å; M306-M383 HydrophobicContact CG-CE 4.11Å; M306-M383 HydrophobicContact CG-SD 3.6Å; M306-M383 HydrophobicContact SD-SD 3.97Å; V381-M383 PolarHBondContact O-N 3.01Å; M383-F403 WeakPolarHBondContact CA-O 3.35Å; M383-F403 HydrophobicContact CB-CD1 4.48Å; M383-F403 HydrophobicContact CE-CD1 3.57Å; M383-F403 HydrophobicContact CE-CE1 3.75Å; M383-F403 HydrophobicContact CE-CG 4.38Å; M383-F403 HydrophobicContact CG-CB 4.02Å; M383-F403 HydrophobicContact CG-CD1 4.07Å; M383-F403 HydrophobicContact CG-CG 4.36Å
384T97.8Very high94.7Very high0 Ų037.4 Ų37.40%017%0.172CC..EExtended strand (participates in β ladder)trans-163.3155.3-177.5-173.10000112.9D261 T263 T264 F372 N386 V390 F403 I404 H405D261-T384 PolarHBondContact OD2-OG1 2.86Å; T263-T384 PolarHBondContact OG1-OG1 2.95Å; T264-T384 WeakPolarHBondContact OG1-CA 3.48Å; T264-T384 PolarHBondContact OG1-N 3.35Å; F372-T384 HydrophobicContact CE1-CG2 3.86Å; F372-T384 HydrophobicContact CZ-CG2 3.72Å; T384-N386 VanDerWaalsContact OG1-CB 3.32Å; T384-N386 WeakPolarHBondContact OG1-CB 3.23Å; T384-N386 PolarHBondContact OG1-N 3.1Å; T384-V390 HydrophobicContact CG2-CG2 4.3Å; T384-F403 PolarHBondContact N-O 3.05Å; T384-I404 VanDerWaalsContact O-CA 3.3Å; T384-I404 WeakPolarHBondContact O-CA 3.46Å; T384-H405 VanDerWaalsContact C-CD2 3.45Å; T384-H405 PolarHBondContact O-CD2 2.86Å; T384-H405 PolarHBondContact O-N 3.03Å
385A96.8Very high94.3Very high19 Ų1944.3 Ų44.316%0.15721%0.209CC..SBendtrans-100.41.1161.100000112.9T263 S387 H405 P407T263-A385 PolarHBondContact OG1-N 3.04Å; A385-S387 VanDerWaalsContact C-N 3.32Å; A385-S387 PolarHBondContact O-N 3.28Å; A385-H405 WeakPolarHBondContact CA-O 3.32Å; A385-H405 WeakPolarHBondContact CB-O 3.48Å; A385-H405 PolarHBondContact N-NE2 3.48Å; A385-P407 HydrophobicContact CB-CB 3.79Å; A385-P407 HydrophobicContact CB-CG 4.47Å
386N94.4Very high94Very high36 Ų3647.7 Ų47.719%0.19323%0.225CC..  trans-85.765.5-177.5-169.7-3.6000112.5S368 F372 T384 R388 F389S368-N386 PolarHBondContact OG-ND2 3.3Å; F372-N386 HydrophobicContact CZ-CB 4.43Å; T384-N386 VanDerWaalsContact OG1-CB 3.32Å; T384-N386 WeakPolarHBondContact OG1-CB 3.23Å; T384-N386 PolarHBondContact OG1-N 3.1Å; N386-R388 PolarHBondContact O-N 3.46Å; N386-R388 VanDerWaalsContact O-N 3.09Å; N386-F389 PolarHBondContact O-N 3.49Å; N386-F389 PolarHBondContact OD1-N 3.31Å; N386-F389 VanDerWaalsContact OD1-N 3.15Å
387S93.5Very high93.5Very high42 Ų4250.2 Ų50.229%0.29426%0.255SS..Hα-helixtrans-62.2-16.6176.868.30000114A385 R391A385-S387 VanDerWaalsContact C-N 3.32Å; A385-S387 PolarHBondContact O-N 3.28Å; S387-R391 WeakPolarHBondContact O-CG 3.35Å; S387-R391 PolarHBondContact O-N 2.77Å; S387-R391 PolarHBondContact O-NE 2.9Å
388R93.4Very high93.1Very high175 Ų17546.3 Ų46.366%0.6624%0.239SC*.Hα-helixtrans-71.8-45.6178-73.2-172.7-73.9167.9-4.8111.5N386 A392N386-R388 PolarHBondContact O-N 3.46Å; N386-R388 VanDerWaalsContact O-N 3.09Å; R388-A392 WeakPolarHBondContact O-CB 3.43Å; R388-A392 PolarHBondContact O-N 3.34Å
389F94.5Very high92.9Very high0 Ų053 Ų530%026%0.262CS..Hα-helixtrans-63.4-46.9175.9176.2-93.6000111.3L358 K363 V364 F372 N386 R391 A392 A393 Y400L358-F389 HydrophobicContact CD1-CZ 4.35Å; K363-F389 WeakPolarHBondContact O-CD2 3.35Å; V364-F389 HydrophobicContact CB-CE2 4.42Å; V364-F389 HydrophobicContact CG1-CE2 3.92Å; F372-F389 HydrophobicContact CB-CD1 4.2Å; F372-F389 HydrophobicContact CB-CE1 3.41Å; F372-F389 VanDerWaalsContact CB-CE1 3.41Å; F372-F389 HydrophobicContact CB-CZ 4.03Å; F372-F389 AromaticContact CD1-CD1 3.74Å; F372-F389 HydrophobicContact CD1-CD1 3.74Å; F372-F389 AromaticContact CD1-CE1 3.73Å; F372-F389 HydrophobicContact CD1-CE1 3.73Å; F372-F389 AromaticContact CD2-CD1 3.49Å; F372-F389 HydrophobicContact CD2-CD1 3.49Å; F372-F389 VanDerWaalsContact CD2-CD1 3.49Å; F372-F389 AromaticContact CD2-CE1 3.54Å; F372-F389 HydrophobicContact CD2-CE1 3.54Å; F372-F389 HydrophobicContact CD2-CG 4.27Å; F372-F389 HydrophobicContact CD2-CZ 4.31Å; F372-F389 AromaticContact CE1-CD1 3.87Å; F372-F389 HydrophobicContact CE1-CD1 3.87Å; F372-F389 HydrophobicContact CE1-CE1 4.34Å; F372-F389 HydrophobicContact CE2-CB 4.45Å; F372-F389 AromaticContact CE2-CD1 3.62Å; F372-F389 HydrophobicContact CE2-CD1 3.62Å; F372-F389 HydrophobicContact CE2-CE1 4.17Å; F372-F389 HydrophobicContact CE2-CG 4.18Å; F372-F389 AromaticContact CG-CD1 3.53Å; F372-F389 HydrophobicContact CG-CD1 3.53Å; F372-F389 AromaticContact CG-CE1 3.25Å; F372-F389 HydrophobicContact CG-CE1 3.25Å; F372-F389 HydrophobicContact CG-CZ 4.21Å; F372-F389 AromaticContact CZ-CD1 3.8Å; F372-F389 HydrophobicContact CZ-CD1 3.8Å; N386-F389 PolarHBondContact O-N 3.49Å; N386-F389 PolarHBondContact OD1-N 3.31Å; N386-F389 VanDerWaalsContact OD1-N 3.15Å; F389-R391 VanDerWaalsContact C-N 3.32Å; F389-R391 PolarHBondContact O-N 3.15Å; F389-A392 PolarHBondContact O-N 2.86Å; F389-A392 VanDerWaalsContact O-N 3.09Å; F389-A393 HydrophobicContact CE1-CB 4.38Å; F389-A393 PolarHBondContact O-N 2.89Å; F389-Y400 AromaticContact CE1-CD2 3.99Å; F389-Y400 HydrophobicContact CE1-CD2 3.99Å; F389-Y400 AromaticContact CE1-CE2 3.56Å; F389-Y400 HydrophobicContact CE1-CE2 3.56Å; F389-Y400 AromaticContact CZ-CE2 4Å; F389-Y400 HydrophobicContact CZ-CE2 4Å
390V93.4Very high92.8Very high22 Ų2246.6 Ų46.613%0.13324%0.238CC..Hα-helixtrans-54.4-48.5-179.7179.80000111.2F372 T384 A394 V402F372-V390 HydrophobicContact CE1-CG2 3.65Å; F372-V390 HydrophobicContact CZ-CG2 4.14Å; T384-V390 HydrophobicContact CG2-CG2 4.3Å; V390-A394 WeakPolarHBondContact O-CB 3.38Å; V390-A394 PolarHBondContact O-N 3.18Å; V390-V402 HydrophobicContact CG1-CG2 3.91Å; V390-V402 HydrophobicContact CG2-CG1 4.02Å; V390-V402 HydrophobicContact CG2-CG2 4.22Å
391R92.4Very high92.6Very high153 Ų15347 Ų4758%0.57724%0.241SC*.Hα-helixtrans-65.7-41.3177.3-73.5-176.2-71.6179.7-4.6112.7S387 F389 A394 N395S387-R391 WeakPolarHBondContact O-CG 3.35Å; S387-R391 PolarHBondContact O-N 2.77Å; S387-R391 PolarHBondContact O-NE 2.9Å; F389-R391 VanDerWaalsContact C-N 3.32Å; F389-R391 PolarHBondContact O-N 3.15Å; R391-A394 PolarHBondContact O-N 2.72Å; R391-N395 VanDerWaalsContact O-CG 3.3Å; R391-N395 PolarHBondContact O-N 2.99Å; R391-N395 PolarHBondContact O-OD1 3.33Å
392A93.3Very high92.6Very high12 Ų1248.4 Ų48.410%0.09925%0.249CC..Hα-helixtrans-64.1-41.2179.500000112.2K363 V364 R388 F389 N395 Q396K363-A392 HydrophobicContact CB-CB 3.75Å; V364-A392 HydrophobicContact CG2-CB 3.67Å; R388-A392 WeakPolarHBondContact O-CB 3.43Å; R388-A392 PolarHBondContact O-N 3.34Å; F389-A392 PolarHBondContact O-N 2.86Å; F389-A392 VanDerWaalsContact O-N 3.09Å; A392-N395 PolarHBondContact O-N 3.41Å; A392-Q396 PolarHBondContact O-N 3.43Å
393A93Very high92.4Very high0 Ų050.3 Ų50.30%026%0.258CS..Hα-helixtrans-66.5-41.8174.700000112.2L358 F389 N395 Q396 G397 V398 Y400L358-A393 HydrophobicContact CD1-CB 3.96Å; L358-A393 HydrophobicContact CD2-CB 4.25Å; F389-A393 HydrophobicContact CE1-CB 4.38Å; F389-A393 PolarHBondContact O-N 2.89Å; A393-N395 VanDerWaalsContact C-N 3.28Å; A393-N395 PolarHBondContact O-N 3.3Å; A393-Q396 CarbonylContact O-C 3.53Å; A393-Q396 WeakPolarHBondContact O-CA 3.41Å; A393-Q396 PolarHBondContact O-N 3.01Å; A393-G397 PolarHBondContact O-N 3.2Å; A393-V398 CarbonylContact C-O 3.52Å; A393-V398 PolarHBondContact O-N 3.44Å; A393-Y400 HydrophobicContact CB-CD2 3.96Å; A393-Y400 HydrophobicContact CB-CE2 3.54Å
394A88.8Confident92.3Very high32 Ų3254.5 Ų54.526%0.26428%0.279SS..Hα-helixtrans-60.6-38.4177.200000112.2V390 R391 Q396 G397 V398 R399V390-A394 WeakPolarHBondContact O-CB 3.38Å; V390-A394 PolarHBondContact O-N 3.18Å; R391-A394 PolarHBondContact O-N 2.72Å; A394-Q396 PolarHBondContact O-N 3.39Å; A394-G397 PolarHBondContact O-N 2.9Å; A394-V398 WeakPolarHBondContact CA-O 3.5Å; A394-V398 PolarHBondContact N-O 3.14Å; A394-V398 VanDerWaalsContact N-O 3.14Å; A394-R399 HydrophobicContact CB-CG 4.21Å
395N88.8Confident92.3Very high146 Ų14655 Ų5578%0.78128%0.281SS*.Hα-helixtrans-65.9-20.8174.9-71.2-6.5000113.4R391 A392 A393 G397R391-N395 VanDerWaalsContact O-CG 3.3Å; R391-N395 PolarHBondContact O-N 2.99Å; R391-N395 PolarHBondContact O-OD1 3.33Å; A392-N395 PolarHBondContact O-N 3.41Å; A393-N395 VanDerWaalsContact C-N 3.28Å; A393-N395 PolarHBondContact O-N 3.3Å; N395-G397 VanDerWaalsContact C-N 3.35Å
396Q90.4Very high92.3Very high72 Ų7259.5 Ų59.534%0.33630%0.299SS..THydrogen-bonded Turntrans-94.810.2172.7-61.9-175.622.100112.5L358 T359 A392 A393 A394L358-Q396 HydrophobicContact CD2-CB 3.61Å; L358-Q396 HydrophobicContact CD2-CG 4.34Å; L358-Q396 VanDerWaalsContact CD2-OE1 3.26Å; T359-Q396 PolarHBondContact O-NE2 2.83Å; T359-Q396 PolarHBondContact O-OE1 3.34Å; A392-Q396 PolarHBondContact O-N 3.43Å; A393-Q396 CarbonylContact O-C 3.53Å; A393-Q396 WeakPolarHBondContact O-CA 3.41Å; A393-Q396 PolarHBondContact O-N 3.01Å; A394-Q396 PolarHBondContact O-N 3.39Å
397G84.3Confident92.4Very high67 Ų6760.2 Ų60.269%0.69131%0.305SS*.THydrogen-bonded Turntrans87.55.9176.700000115.4A393 A394 N395A393-G397 PolarHBondContact O-N 3.2Å; A394-G397 PolarHBondContact O-N 2.9Å; N395-G397 VanDerWaalsContact C-N 3.35Å
398V88.3Confident92.5Very high14 Ų1458.5 Ų58.59%0.08529%0.293CS..  trans-109.1108.7177.4-175.60000110.4R354 L358 A393 A394 Y400R354-V398 HydrophobicContact CB-CG2 4.49Å; R354-V398 HydrophobicContact CG-CG1 4.05Å; L358-V398 HydrophobicContact CD2-CB 3.93Å; L358-V398 HydrophobicContact CD2-CG2 3.64Å; L358-V398 HydrophobicContact CG-CB 4.48Å; L358-V398 HydrophobicContact CG-CG2 4.11Å; A393-V398 CarbonylContact C-O 3.52Å; A393-V398 PolarHBondContact O-N 3.44Å; A394-V398 WeakPolarHBondContact CA-O 3.5Å; A394-V398 PolarHBondContact N-O 3.14Å; A394-V398 VanDerWaalsContact N-O 3.14Å; V398-Y400 HydrophobicContact CG1-CD2 4.42Å; V398-Y400 HydrophobicContact CG1-CE1 4.03Å; V398-Y400 HydrophobicContact CG1-CE2 3.91Å
399R88.9Confident92.7Very high169 Ų16951.4 Ų51.464%0.63827%0.272SS*.  trans-98.8113.6174.4-67.8-179.4177.1148.5-2.6110.3R354 A394R354-R399 PolarHBondContact NH1-O 3.36Å; R354-R399 PolarHBondContact NH2-O 3.11Å; A394-R399 HydrophobicContact CB-CG 4.21Å
400Y91.4Very high92.9Very high16 Ų1652 Ų526%0.06328%0.275CS..  trans-83.5147.2173.1-65.1-72.8000110.9S355 L358 F372 D376 F389 A393 V398 V402S355-Y400 WeakPolarHBondContact CA-OH 3.4Å; S355-Y400 WeakPolarHBondContact CB-OH 3.41Å; S355-Y400 VanDerWaalsContact OG-CE1 3.26Å; S355-Y400 WeakPolarHBondContact OG-CE1 3.43Å; S355-Y400 PolarHBondContact OG-OH 3.13Å; L358-Y400 HydrophobicContact CD1-CE2 4.19Å; L358-Y400 VanDerWaalsContact CD1-OH 3.26Å; L358-Y400 WeakPolarHBondContact CD1-OH 3.22Å; F372-Y400 HydrophobicContact CB-CD1 4.38Å; F372-Y400 HydrophobicContact CB-CD2 4.41Å; F372-Y400 HydrophobicContact CB-CE1 4.26Å; F372-Y400 HydrophobicContact CB-CE2 4.27Å; F372-Y400 HydrophobicContact CB-CG 4.46Å; F372-Y400 HydrophobicContact CD1-CD2 4.34Å; F372-Y400 HydrophobicContact CD1-CG 4.37Å; D376-Y400 HydrophobicContact CB-CD1 3.87Å; D376-Y400 HydrophobicContact CB-CE1 3.76Å; F389-Y400 AromaticContact CE1-CD2 3.99Å; F389-Y400 HydrophobicContact CE1-CD2 3.99Å; F389-Y400 AromaticContact CE1-CE2 3.56Å; F389-Y400 HydrophobicContact CE1-CE2 3.56Å; F389-Y400 AromaticContact CZ-CE2 4Å; F389-Y400 HydrophobicContact CZ-CE2 4Å; A393-Y400 HydrophobicContact CB-CD2 3.96Å; A393-Y400 HydrophobicContact CB-CE2 3.54Å; V398-Y400 HydrophobicContact CG1-CD2 4.42Å; V398-Y400 HydrophobicContact CG1-CE1 4.03Å; V398-Y400 HydrophobicContact CG1-CE2 3.91Å; Y400-V402 PolarHBondContact O-N 3.18Å
401S91.6Very high93.1Very high9 Ų951 Ų516%0.06327%0.268CS..  trans-80.6115.9165.8-62.90000109.2N155 Y156 T382N155-S401 WeakPolarHBondContact CA-OG 3.41Å; N155-S401 PolarHBondContact N-OG 3.34Å; Y156-S401 VanDerWaalsContact CE2-CB 3.45Å; Y156-S401 PolarHBondContact N-OG 3.01Å; T382-S401 PolarHBondContact N-O 3.28Å
402V94.1Very high93.2Very high32 Ų3246 Ų4619%0.19425%0.251CS..EExtended strand (participates in β ladder)trans-134.8146.4-171.9-63.20000111.4F372 T382 V390 Y400 I404F372-V402 HydrophobicContact CD1-CG1 4.15Å; F372-V402 HydrophobicContact CE1-CG1 3.88Å; T382-V402 CarbonylContact O-C 3.53Å; T382-V402 WeakPolarHBondContact O-CA 3.46Å; T382-V402 WeakPolarHBondContact O-CB 3.38Å; V390-V402 HydrophobicContact CG1-CG2 3.91Å; V390-V402 HydrophobicContact CG2-CG1 4.02Å; V390-V402 HydrophobicContact CG2-CG2 4.22Å; Y400-V402 PolarHBondContact O-N 3.18Å; V402-I404 HydrophobicContact CB-CG1 4.47Å; V402-I404 HydrophobicContact CG2-CD1 4.12Å; V402-I404 HydrophobicContact CG2-CG1 3.89Å
403F94.8Very high93.2Very high41 Ų4147.1 Ų47.118%0.1827%0.265CS..EExtended strand (participates in β ladder)trans-106.6111.1165.8177.3-87.5000107.7L302 F305 V381 T382 M383 T384 H405L302-F403 HydrophobicContact CD2-CE1 3.99Å; F305-F403 HydrophobicContact CB-CD2 4.2Å; F305-F403 HydrophobicContact CB-CE1 4.49Å; F305-F403 HydrophobicContact CB-CE2 3.89Å; F305-F403 HydrophobicContact CB-CZ 4.04Å; F305-F403 HydrophobicContact CD1-CB 4.19Å; F305-F403 HydrophobicContact CD1-CD1 4.39Å; F305-F403 HydrophobicContact CD1-CD2 4.11Å; F305-F403 AromaticContact CD1-CG 3.97Å; F305-F403 HydrophobicContact CD1-CG 3.97Å; F305-F403 AromaticContact CD2-CD2 3.39Å; F305-F403 HydrophobicContact CD2-CD2 3.39Å; F305-F403 AromaticContact CD2-CE2 3.73Å; F305-F403 HydrophobicContact CD2-CE2 3.73Å; F305-F403 HydrophobicContact CD2-CG 4.08Å; F305-F403 HydrophobicContact CE1-CB 3.85Å; F305-F403 HydrophobicContact CE1-CD2 4.38Å; F305-F403 HydrophobicContact CE1-CG 4.13Å; F305-F403 HydrophobicContact CE2-CB 4.24Å; F305-F403 AromaticContact CE2-CD2 3.73Å; F305-F403 HydrophobicContact CE2-CD2 3.73Å; F305-F403 HydrophobicContact CE2-CE2 4.48Å; F305-F403 HydrophobicContact CE2-CG 4.25Å; F305-F403 HydrophobicContact CG-CD1 4.44Å; F305-F403 AromaticContact CG-CD2 3.61Å; F305-F403 HydrophobicContact CG-CD2 3.61Å; F305-F403 AromaticContact CG-CE2 3.82Å; F305-F403 HydrophobicContact CG-CE2 3.82Å; F305-F403 AromaticContact CG-CG 3.93Å; F305-F403 HydrophobicContact CG-CG 3.93Å; F305-F403 HydrophobicContact CG-CZ 4.32Å; F305-F403 HydrophobicContact CZ-CB 3.89Å; F305-F403 HydrophobicContact CZ-CD2 4.21Å; F305-F403 HydrophobicContact CZ-CG 4.28Å; V381-F403 HydrophobicContact CG1-CB 4.18Å; T382-F403 PolarHBondContact O-N 3.27Å; M383-F403 WeakPolarHBondContact CA-O 3.35Å; M383-F403 HydrophobicContact CB-CD1 4.48Å; M383-F403 HydrophobicContact CE-CD1 3.57Å; M383-F403 HydrophobicContact CE-CE1 3.75Å; M383-F403 HydrophobicContact CE-CG 4.38Å; M383-F403 HydrophobicContact CG-CB 4.02Å; M383-F403 HydrophobicContact CG-CD1 4.07Å; M383-F403 HydrophobicContact CG-CG 4.36Å; T384-F403 PolarHBondContact N-O 3.05Å; F403-H405 HydrophobicContact CE1-CB 4.17Å
404I95.4Very high93.3Very high88 Ų8850.7 Ų50.745%0.45128%0.28SS..EExtended strand (participates in β ladder)trans-94.1122.8-175.9-59.5179.3000109.7T384 V402T384-I404 VanDerWaalsContact O-CA 3.3Å; T384-I404 WeakPolarHBondContact O-CA 3.46Å; V402-I404 HydrophobicContact CB-CG1 4.47Å; V402-I404 HydrophobicContact CG2-CD1 4.12Å; V402-I404 HydrophobicContact CG2-CG1 3.89Å
405H96.9Very high93.5Very high11 Ų1150.1 Ų50.15%0.05127%0.272CS..  trans-116.6164.8173.167.987.3000111.4T264 V298 L302 T384 A385 F403T264-H405 VanDerWaalsContact CA-NE2 3.33Å; T264-H405 WeakPolarHBondContact CA-NE2 3.25Å; T264-H405 WeakPolarHBondContact CB-NE2 3.35Å; T264-H405 PolarHBondContact OG1-CD2 3.04Å; T264-H405 PolarHBondContact OG1-NE2 3.12Å; V298-H405 HydrophobicContact CG2-CB 4.15Å; L302-H405 HydrophobicContact CD2-CB 3.93Å; T384-H405 VanDerWaalsContact C-CD2 3.45Å; T384-H405 PolarHBondContact O-CD2 2.86Å; T384-H405 PolarHBondContact O-N 3.03Å; A385-H405 WeakPolarHBondContact CA-O 3.32Å; A385-H405 WeakPolarHBondContact CB-O 3.48Å; A385-H405 PolarHBondContact N-NE2 3.48Å; F403-H405 HydrophobicContact CE1-CB 4.17Å
406Q95.9Very high93.7Very high112 Ų11252.1 Ų52.152%0.52327%0.269SS..  trans-73.3141.7173-65.2-59-38.700110.6
407P96.6Very high93.8Very high51 Ų5155 Ų5533%0.33128%0.277SS..  trans-72.5144.7-179.129.4-34000111.6A385A385-P407 HydrophobicContact CB-CB 3.79Å; A385-P407 HydrophobicContact CB-CG 4.47Å
408R97.3Very high94.3Very high7 Ų752.6 Ų52.63%0.02625%0.25CC..  trans-130.5134.8164.9-59.3-63.6178.2-104.9-1.3108.7I266 A267 L272 E293 W296 V298I266-R408 VanDerWaalsContact CG2-O 3.23Å; I266-R408 WeakPolarHBondContact CG2-O 3.33Å; A267-R408 HydrophobicContact CB-CB 4.04Å; A267-R408 HydrophobicContact CB-CG 4.44Å; L272-R408 HydrophobicContact CD1-CB 4.46Å; E293-R408 IonicContact OE2-CZ 3.79Å; E293-R408 IonicContact OE2-NE 2.76Å; E293-R408 PolarHBondContact OE2-NE 2.68Å; E293-R408 IonicContact OE2-NH2 3.67Å; E293-R408 PolarHBondContact OE2-NH2 3.44Å; W296-R408 PolarHBondContact O-NH2 3.44Å; W296-R408 VanDerWaalsContact O-NH2 3.12Å; V298-R408 HydrophobicContact CG1-CG 3.97Å
409A97.4Very high94.7Very high26 Ų2656.4 Ų56.422%0.21527%0.273CS..  trans-91159.5178.100000111.1S270 L286S270-A409 WeakPolarHBondContact CB-O 3.34Å; S270-A409 PolarHBondContact OG-O 3.27Å; L286-A409 HydrophobicContact CD2-CB 3.47Å; L286-A409 VanDerWaalsContact CD2-CB 3.47Å
410L98Very high94.9Very high12 Ų1252.9 Ų52.96%0.06327%0.272CS..  trans-68.1129.8164.8-57.1-176.6000108.8I266 V269 I324 L325 L328 E333I266-L410 HydrophobicContact CG2-CD2 3.87Å; I266-L410 HydrophobicContact CG2-CG 3.91Å; V269-L410 HydrophobicContact CG2-CD2 3.84Å; I324-L410 HydrophobicContact CG2-CD1 4.19Å; L325-L410 HydrophobicContact CB-CD1 4.45Å; L325-L410 HydrophobicContact CD1-CD1 3.83Å; L328-L410 HydrophobicContact CB-CD1 4.44Å; E333-L410 HydrophobicContact CB-CD2 4.41Å; E333-L410 HydrophobicContact CG-CD2 4.25Å; E333-L410 VanDerWaalsContact OE1-CA 3.25Å; E333-L410 WeakPolarHBondContact OE1-CA 3.5Å
411T96.9Very high94.9Very high1 Ų158.8 Ų58.81%0.00630%0.304CS..  trans-128.6-18.5-174.154.80000114.2L272 F281 L286 E333 G413 K414 E415L272-T411 HydrophobicContact CD1-CG2 3.79Å; L272-T411 HydrophobicContact CD2-CG2 3.86Å; L272-T411 HydrophobicContact CG-CG2 3.64Å; F281-T411 HydrophobicContact CE1-CG2 4.14Å; F281-T411 HydrophobicContact CE2-CG2 4.26Å; F281-T411 HydrophobicContact CZ-CG2 3.87Å; L286-T411 HydrophobicContact CD1-CG2 4.37Å; L286-T411 HydrophobicContact CD2-CG2 4.19Å; E333-T411 PolarHBondContact OE1-N 3.12Å; T411-G413 VanDerWaalsContact C-N 3.3Å; T411-G413 PolarHBondContact O-N 3.07Å; T411-K414 WeakPolarHBondContact O-CA 3.47Å; T411-K414 PolarHBondContact O-N 3.28Å; T411-E415 PolarHBondContact O-N 2.64Å
412E95.9Very high95Very high47 Ų4761.3 Ų61.322%0.2232%0.316CS..G310 helixtrans-55.8-43.5-171.9-169.3178170.600112.3A271 P331 G332 E333 K414 E415A271-E412 HydrophobicContact CB-CB 3.97Å; P331-E412 WeakPolarHBondContact CD-OE1 3.49Å; G332-E412 WeakPolarHBondContact CA-OE2 3.42Å; G332-E412 VanDerWaalsContact N-CD 3.35Å; G332-E412 PolarHBondContact N-OE1 2.98Å; G332-E412 PolarHBondContact N-OE2 3.42Å; E333-E412 HydrophobicContact CG-CB 4.06Å; E333-E412 WeakPolarHBondContact CG-OE2 3.49Å; E333-E412 PolarHBondContact N-OE2 3.12Å; E333-E412 PolarHBondContact OE1-N 3.33Å; E333-E412 WeakPolarHBondContact OE2-CB 3.48Å; E412-K414 PolarHBondContact O-N 3.47Å; E412-E415 PolarHBondContact O-N 3.21Å
413G93.3Very high95.1Very high37 Ų3762.8 Ų62.838%0.38132%0.322SS..G310 helixtrans-63.4-12.117700000115.4T411 W416T411-G413 VanDerWaalsContact C-N 3.3Å; T411-G413 PolarHBondContact O-N 3.07Å; G413-W416 VanDerWaalsContact O-CD1 3.27Å; G413-W416 PolarHBondContact O-NE1 3Å
414K93.7Very high95.1Very high74 Ų7464 Ų6432%0.32233%0.33SS..G310 helixtrans-109.3-7.9179.5-62.9-173.4178.4-168.60113.7F281 E283 L286 T411 E412 W416 R417F281-K414 HydrophobicContact CD1-CB 4.36Å; E283-K414 WeakPolarHBondContact OE1-CE 3.37Å; E283-K414 IonicContact OE1-NZ 2.62Å; E283-K414 PolarHBondContact OE1-NZ 2.89Å; L286-K414 HydrophobicContact CD1-CD 3.73Å; T411-K414 WeakPolarHBondContact O-CA 3.47Å; T411-K414 PolarHBondContact O-N 3.28Å; E412-K414 PolarHBondContact O-N 3.47Å; K414-W416 PolarHBondContact O-N 2.79Å; K414-R417 PolarHBondContact O-N 3.12Å; K414-R417 VanDerWaalsContact O-N 3.12Å
415E93.3Very high95.1Very high21 Ų2162.6 Ų62.610%0.09832%0.323CS..G310 helixtrans-61-30-176.2-71.2178.4-171.800112.8R276 F281 T411 E412 R417 A418R276-E415 VanDerWaalsContact CB-OE1 3.25Å; R276-E415 WeakPolarHBondContact CB-OE1 3.44Å; R276-E415 IonicContact CZ-OE2 3.25Å; R276-E415 IonicContact NE-OE1 3.71Å; R276-E415 PolarHBondContact NE-OE1 3.21Å; R276-E415 IonicContact NE-OE2 3.16Å; R276-E415 PolarHBondContact NE-OE2 2.94Å; R276-E415 IonicContact NH2-OE2 3.88Å; R276-E415 PolarHBondContact NH2-OE2 3.12Å; F281-E415 HydrophobicContact CE1-CG 4.12Å; F281-E415 HydrophobicContact CZ-CG 4.46Å; T411-E415 PolarHBondContact O-N 2.64Å; E412-E415 PolarHBondContact O-N 3.21Å; E415-R417 PolarHBondContact O-N 3.13Å; E415-R417 VanDerWaalsContact O-N 3.13Å; E415-A418 WeakPolarHBondContact O-CB 3.46Å; E415-A418 PolarHBondContact O-N 2.94Å
416W92.9Very high95Very high188 Ų18865.8 Ų65.871%0.71234%0.34SS*.G310 helixtrans-62.1-20.8178.275.1-91.8000114.3G413 K414G413-W416 VanDerWaalsContact O-CD1 3.27Å; G413-W416 PolarHBondContact O-NE1 3Å; K414-W416 PolarHBondContact O-N 2.79Å
417R93.3Very high94.9Very high133 Ų13362.7 Ų62.750%0.50233%0.327SS..G310 helixtrans-103-0.7173.7-62.2-173.6175.3163.94.8113.1K414 E415K414-R417 PolarHBondContact O-N 3.12Å; K414-R417 VanDerWaalsContact O-N 3.12Å; E415-R417 PolarHBondContact O-N 3.13Å; E415-R417 VanDerWaalsContact O-N 3.13Å
418A94.6Very high94.8Very high15 Ų1563.6 Ų63.612%0.12433%0.327CS..PPolyproline II helixtrans-88.6154.3-176.700000110.8F279 S280 F281 E415F279-A418 HydrophobicContact CB-CB 4Å; F279-A418 HydrophobicContact CD1-CB 4.05Å; F279-A418 HydrophobicContact CG-CB 4.29Å; S280-A418 WeakPolarHBondContact O-CA 3.44Å; S280-A418 WeakPolarHBondContact O-CB 3.35Å; F281-A418 HydrophobicContact CD1-CB 3.79Å; F281-A418 HydrophobicContact CE1-CB 3.98Å; F281-A418 HydrophobicContact CG-CB 4.38Å; E415-A418 WeakPolarHBondContact O-CB 3.46Å; E415-A418 PolarHBondContact O-N 2.94Å
419T95.6Very high94.6Very high94 Ų9467.9 Ų67.958%0.57735%0.35SS*.EExtended strand (participates in β ladder)trans-103124.6177.9-51.80000108.9F279 S280F279-T419 CarbonylContact C-O 3.57Å; F279-T419 WeakPolarHBondContact CA-O 3.38Å; S280-T419 PolarHBondContact N-O 2.87Å; S280-T419 PolarHBondContact O-N 2.9Å
420P94Very high94.4Very high95 Ų9571.4 Ų71.462%0.61736%0.362SS*.EExtended strand (participates in β ladder)trans-56.7145.2171.2-21.731.9000111.4F279F279-P420 HydrophobicContact CD1-CG 4.33Å; F279-P420 HydrophobicContact CE1-CB 4.39Å; F279-P420 HydrophobicContact CE1-CG 4Å
421I90.9Very high94Very high140 Ų14076.8 Ų76.872%0.71839%0.389SS*.  trans-101.30177.4-58.4174.7000110.3H278H278-I421 PolarHBondContact O-N 2.93Å

Retrieved 421 of 421 residues in 540.4 ms (Link to these results)

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