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Kelch-like protein 42

Substrate-specific adapter of a BCR (BTB-CUL3-RBX1) E3 ubiquitin-protein ligase complex required for mitotic progression and cytokinesis. The BCR(KLHL42) E3 ubiquitin ligase complex mediates the ubiquitination and subsequent degradation of KATNA1. Involved in microtubule dynamics throughout mitosis.

AlphaFold DB (A0A2K5LTS0), UniProt , Accession A0A096NGJ6, Species PAPAN (Papio anubis, Olive baboon), Gene KLHL42, Length 505 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
1M39.6Very low72.5Confident243 Ų24381.6 Ų81.6100%1.19744%0.437SS*.  0101.90-71.6169.662.200106.9A3M1-A3 PolarHBondContact O-N 3.08Å
2S45Very low73Confident124 Ų12486.8 Ų86.887%0.86746%0.457SS*.  trans-65.4129.8175.1-177.60000108.1E4S2-E4 PolarHBondContact O-N 3.19Å
3A58.2Low73.2Confident88 Ų8891.6 Ų91.673%0.72748%0.483SS*.  trans-56.6136.4171.200000109M1 E5M1-A3 PolarHBondContact O-N 3.08Å; A3-E5 PolarHBondContact O-N 3.04Å
4E67.9Low73.7Confident106 Ų10691 Ų9150%0.49547%0.471SS..  trans-70.9109.1178.3-163.9166.1-161.600108.2S2 M6 S19S2-E4 PolarHBondContact O-N 3.19Å; E4-M6 PolarHBondContact O-N 3.39Å; E4-M6 VanDerWaalsContact O-N 3.15Å; E4-S19 VanDerWaalsContact CG-OG 3.32Å; E4-S19 WeakPolarHBondContact CG-OG 3.49Å; E4-S19 WeakPolarHBondContact OE1-CB 3.41Å; E4-S19 PolarHBondContact OE1-OG 2.91Å
5E81.9Confident74.3Confident113 Ų11389.5 Ų89.553%0.52847%0.47SS..  trans-71108.1-179.1-168.4-177.2165.400109A3 K20A3-E5 PolarHBondContact O-N 3.04Å; E5-K20 HydrophobicContact CB-CB 4.41Å; E5-K20 VanDerWaalsContact CD-CD 3.44Å; E5-K20 HydrophobicContact CG-CD 4.1Å; E5-K20 VanDerWaalsContact O-CB 3.27Å; E5-K20 WeakPolarHBondContact O-CB 3.44Å; E5-K20 PolarHBondContact O-N 3.06Å; E5-K20 WeakPolarHBondContact OE1-CD 3.37Å; E5-K20 IonicContact OE1-NZ 3.85Å; E5-K20 PolarHBondContact OE1-NZ 3.08Å; E5-K20 IonicContact OE2-NZ 2.79Å
6M82.9Confident75Confident86 Ų8685.9 Ų85.942%0.42445%0.449SS..EExtended strand (participates in β ladder)trans-89.5134.3177.8-67-63.1-6800110.2E4 P17E4-M6 PolarHBondContact O-N 3.39Å; E4-M6 VanDerWaalsContact O-N 3.15Å; M6-P17 HydrophobicContact CE-CB 4Å
7V85.8Confident75.5Confident1 Ų185 Ų851%0.00645%0.449CS..EExtended strand (participates in β ladder)trans-120.2154.4175.4-68.80000110.1V18 K20 L23 E50V7-V18 WeakPolarHBondContact CG2-O 3.28Å; V7-V18 PolarHBondContact N-O 2.94Å; V7-V18 PolarHBondContact O-N 2.79Å; V7-K20 HydrophobicContact CG1-CB 4.04Å; V7-K20 HydrophobicContact CG1-CD 3.99Å; V7-K20 HydrophobicContact CG1-CG 4.2Å; V7-K20 HydrophobicContact CG2-CB 4.11Å; V7-L23 HydrophobicContact CG2-CD1 3.59Å; V7-E50 HydrophobicContact CG1-CB 4.04Å
8Q85.6Confident76.1Confident47 Ų4780.3 Ų80.322%0.2243%0.425CS..EExtended strand (participates in β ladder)trans-106.1121.1177.6-69.1-69.8-22.100109.2P49 E50 V51 Q52Q8-P49 HydrophobicContact CG-CB 4.42Å; Q8-P49 HydrophobicContact CG-CG 4.09Å; Q8-E50 PolarHBondContact N-O 3.43Å; Q8-V51 HydrophobicContact CB-CB 4.48Å; Q8-V51 HydrophobicContact CB-CG1 4.38Å; Q8-V51 HydrophobicContact CB-CG2 4.1Å; Q8-V51 CarbonylContact O-C 3.56Å; Q8-V51 VanDerWaalsContact O-CA 3.29Å; Q8-V51 WeakPolarHBondContact O-CA 3.32Å; Q8-Q52 PolarHBondContact O-N 3.21Å
9I84.7Confident76.7Confident0 Ų076.2 Ų76.20%040%0.403CS..EExtended strand (participates in β ladder)trans-94.6117.4170.6-62.2176.8000107.3C15 Y16 V18 L23 F30 L54 L62 L66I9-C15 WeakPolarHBondContact O-CA 3.41Å; I9-Y16 PolarHBondContact N-O 3.02Å; I9-Y16 WeakPolarHBondContact O-CD2 3.29Å; I9-Y16 PolarHBondContact O-N 3.02Å; I9-V18 HydrophobicContact CD1-CG2 4.39Å; I9-L23 HydrophobicContact CD1-CD1 3.86Å; I9-L23 HydrophobicContact CD1-CD2 3.86Å; I9-F30 HydrophobicContact CD1-CE1 4.04Å; I9-F30 HydrophobicContact CD1-CE2 4.23Å; I9-F30 HydrophobicContact CD1-CZ 3.58Å; I9-L54 HydrophobicContact CG2-CD1 3.44Å; I9-L54 VanDerWaalsContact CG2-CD1 3.44Å; I9-L54 HydrophobicContact CG2-CG 3.94Å; I9-L62 HydrophobicContact CG2-CD1 4.46Å; I9-L62 HydrophobicContact CG2-CD2 3.96Å; I9-L66 HydrophobicContact CB-CD1 4.26Å; I9-L66 HydrophobicContact CD1-CD1 4.03Å; I9-L66 HydrophobicContact CD1-CD2 3.63Å; I9-L66 HydrophobicContact CD1-CG 4.48Å; I9-L66 HydrophobicContact CG2-CD1 4.48Å
10R83.4Confident77.1Confident85 Ų8574.1 Ų74.132%0.32139%0.39SS..EExtended strand (participates in β ladder)trans-99.5129.2177.4-173.4173.9179165.43.9110.1E12 D13 R14 V51 Q52 Q53 L54R10-E12 PolarHBondContact NE-O 3.42Å; R10-D13 IonicContact NH2-OD1 3.98Å; R10-R14 WeakPolarHBondContact CA-O 3.46Å; R10-V51 HydrophobicContact CB-CG1 3.82Å; R10-Q52 PolarHBondContact N-O 3.21Å; R10-Q53 WeakPolarHBondContact O-CA 3.38Å; R10-L54 PolarHBondContact O-N 3.26Å
11L82.9Confident77.6Confident5 Ų577.1 Ų77.13%0.02640%0.396CS..EExtended strand (participates in β ladder)trans-132118169.3-17477.4000107.2D13 R14 Y16 L54 L57 S58 A59 L62L11-D13 PolarHBondContact O-N 2.81Å; L11-R14 PolarHBondContact N-O 2.98Å; L11-R14 PolarHBondContact O-N 2.97Å; L11-Y16 HydrophobicContact CB-CE2 4.47Å; L11-L54 HydrophobicContact CD1-CB 4.16Å; L11-L54 WeakPolarHBondContact CD1-O 3.48Å; L11-L57 HydrophobicContact CD1-CB 4.42Å; L11-L57 WeakPolarHBondContact CD2-O 3.41Å; L11-S58 VanDerWaalsContact CD2-C 3.45Å; L11-S58 WeakPolarHBondContact CD2-O 3.47Å; L11-A59 HydrophobicContact CD2-CB 4.1Å; L11-L62 HydrophobicContact CB-CD2 3.61Å; L11-L62 HydrophobicContact CD2-CB 4.14Å; L11-L62 HydrophobicContact CD2-CD2 3.77Å; L11-L62 HydrophobicContact CG-CD2 4.19Å
12E77.7Confident80Confident143 Ų14368 Ų6867%0.66835%0.35SS*.THydrogen-bonded Turntrans52.8-119.5-171.7-56.6178.616300111.5R10R10-E12 PolarHBondContact NE-O 3.42Å
13D75.7Confident82Confident150 Ų15062.1 Ų62.180%0.80231%0.309SS*.THydrogen-bonded Turntrans-95.50.4179.4-68.3-29.4000113.6R10 L11R10-D13 IonicContact NH2-OD1 3.98Å; L11-D13 PolarHBondContact O-N 2.81Å
14R80.6Confident83.5Confident83 Ų8360.1 Ų60.131%0.31329%0.286SS..EExtended strand (participates in β ladder)trans-101140.4-179.6-62.5-175.4-180-169-1.1111.5R10 L11 Y16 D93R10-R14 WeakPolarHBondContact CA-O 3.46Å; L11-R14 PolarHBondContact N-O 2.98Å; L11-R14 PolarHBondContact O-N 2.97Å; R14-Y16 HydrophobicContact CB-CE2 3.84Å; R14-Y16 WeakPolarHBondContact CD-OH 3.44Å; R14-D93 IonicContact CZ-OD1 3.36Å; R14-D93 IonicContact NH1-OD1 2.94Å; R14-D93 PolarHBondContact NH1-OD1 2.6Å; R14-D93 IonicContact NH1-OD2 2.74Å; R14-D93 IonicContact NH2-OD1 2.81Å; R14-D93 PolarHBondContact NH2-OD1 2.83Å
15C83Confident84.5Confident68 Ų6859.5 Ų59.546%0.45928%0.283SS..EExtended strand (participates in β ladder)trans-122.2129.6176.2-730000110.6I9I9-C15 WeakPolarHBondContact O-CA 3.41Å
16Y84.6Confident84.9Confident32 Ų3256.4 Ų56.413%0.12527%0.268CS..EExtended strand (participates in β ladder)trans-115.4114.7-176.8-58.1-84.5000110.5I9 L11 R14 L62 R63 L66I9-Y16 PolarHBondContact N-O 3.02Å; I9-Y16 WeakPolarHBondContact O-CD2 3.29Å; I9-Y16 PolarHBondContact O-N 3.02Å; L11-Y16 HydrophobicContact CB-CE2 4.47Å; R14-Y16 HydrophobicContact CB-CE2 3.84Å; R14-Y16 WeakPolarHBondContact CD-OH 3.44Å; Y16-L62 HydrophobicContact CD2-CD2 3.99Å; Y16-L62 HydrophobicContact CE2-CD2 3.96Å; Y16-R63 HydrophobicContact CE1-CB 4.06Å; Y16-R63 HydrophobicContact CE1-CG 4.22Å; Y16-L66 VanDerWaalsContact CB-CD1 3.43Å; Y16-L66 HydrophobicContact CD1-CD1 4.49Å; Y16-L66 HydrophobicContact CD2-CD1 4.2Å; Y16-L66 HydrophobicContact CG-CD1 3.81Å
17P83.6Confident85.3Confident71 Ų7152.3 Ų52.346%0.46125%0.248SC..EExtended strand (participates in β ladder)trans-75.1125.1175.227-31000111.1M6M6-P17 HydrophobicContact CE-CB 4Å
18V85.9Confident85.6Confident1 Ų154.9 Ų54.91%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-142.2146.7180-168.40000111V7 I9 K20 L23 L66 I69 N70V7-V18 WeakPolarHBondContact CG2-O 3.28Å; V7-V18 PolarHBondContact N-O 2.94Å; V7-V18 PolarHBondContact O-N 2.79Å; I9-V18 HydrophobicContact CD1-CG2 4.39Å; V18-K20 PolarHBondContact O-N 2.64Å; V18-L23 HydrophobicContact CB-CD1 4.19Å; V18-L23 HydrophobicContact CB-CD2 4.4Å; V18-L23 HydrophobicContact CB-CG 4.29Å; V18-L23 HydrophobicContact CG1-CD1 4.13Å; V18-L23 HydrophobicContact CG1-CD2 3.74Å; V18-L23 HydrophobicContact CG1-CG 3.68Å; V18-L66 HydrophobicContact CG2-CB 4.17Å; V18-L66 HydrophobicContact CG2-CD1 3.91Å; V18-L66 HydrophobicContact CG2-CD2 4.08Å; V18-L66 HydrophobicContact CG2-CG 4.25Å; V18-I69 HydrophobicContact CG1-CG2 4.25Å; V18-N70 WeakPolarHBondContact CG1-OD1 3.41Å
19S87.5Confident85.8Confident2 Ų254.3 Ų54.31%0.01426%0.258CS..EExtended strand (participates in β ladder)trans-69.4121.1174.1173.80000110.6E4 R21 K22 L23E4-S19 VanDerWaalsContact CG-OG 3.32Å; E4-S19 WeakPolarHBondContact CG-OG 3.49Å; E4-S19 WeakPolarHBondContact OE1-CB 3.41Å; E4-S19 PolarHBondContact OE1-OG 2.91Å; S19-R21 PolarHBondContact O-N 2.89Å; S19-K22 PolarHBondContact O-N 2.79Å; S19-K22 VanDerWaalsContact O-N 3.07Å; S19-L23 PolarHBondContact O-N 3.47Å; S19-L23 VanDerWaalsContact O-N 3.11Å
20K85.9Confident86.1Confident34 Ų3454.3 Ų54.315%0.14826%0.258CS..Hα-helixtrans-56.4-38.1179.2-170.2175-175.5160.80112.1E5 V7 V18 L23 I24 Y34 E50E5-K20 HydrophobicContact CB-CB 4.41Å; E5-K20 VanDerWaalsContact CD-CD 3.44Å; E5-K20 HydrophobicContact CG-CD 4.1Å; E5-K20 VanDerWaalsContact O-CB 3.27Å; E5-K20 WeakPolarHBondContact O-CB 3.44Å; E5-K20 PolarHBondContact O-N 3.06Å; E5-K20 WeakPolarHBondContact OE1-CD 3.37Å; E5-K20 IonicContact OE1-NZ 3.85Å; E5-K20 PolarHBondContact OE1-NZ 3.08Å; E5-K20 IonicContact OE2-NZ 2.79Å; V7-K20 HydrophobicContact CG1-CB 4.04Å; V7-K20 HydrophobicContact CG1-CD 3.99Å; V7-K20 HydrophobicContact CG1-CG 4.2Å; V7-K20 HydrophobicContact CG2-CB 4.11Å; V18-K20 PolarHBondContact O-N 2.64Å; K20-L23 PolarHBondContact O-N 3.37Å; K20-I24 HydrophobicContact CG-CD1 4.12Å; K20-I24 WeakPolarHBondContact O-CG1 3.33Å; K20-I24 PolarHBondContact O-N 3.34Å; K20-I24 VanDerWaalsContact O-N 3.13Å; K20-Y34 HydrophobicContact CD-CE1 4.4Å; K20-Y34 HydrophobicContact CG-CD2 4.47Å; K20-Y34 HydrophobicContact CG-CE1 4.38Å; K20-Y34 HydrophobicContact CG-CE2 4.21Å; K20-E50 IonicContact NZ-OE2 3.53Å; K20-E50 PolarHBondContact NZ-OE2 3.32Å
21R88.1Confident86.4Confident137 Ų13753.3 Ų53.352%0.51725%0.254SS..Hα-helixtrans-61-47.5176.6-172.9-178.169.485.72.3111.3S19 L23 I24 E25S19-R21 PolarHBondContact O-N 2.89Å; R21-L23 PolarHBondContact O-N 3.35Å; R21-I24 PolarHBondContact O-N 3.19Å; R21-E25 VanDerWaalsContact CG-OE1 3.3Å; R21-E25 WeakPolarHBondContact CG-OE1 3.29Å; R21-E25 IonicContact CZ-OE1 2.7Å; R21-E25 IonicContact CZ-OE2 3.77Å; R21-E25 IonicContact NE-OE1 3.12Å; R21-E25 IonicContact NH1-OE1 3.25Å; R21-E25 PolarHBondContact NH1-OE1 2.99Å; R21-E25 IonicContact NH1-OE2 2.67Å; R21-E25 PolarHBondContact NH1-OE2 3.01Å; R21-E25 WeakPolarHBondContact O-CB 3.45Å; R21-E25 WeakPolarHBondContact O-CG 3Å; R21-E25 PolarHBondContact O-N 2.79Å
22K88.4Confident86.6Confident52 Ų5255.7 Ų55.723%0.22628%0.275CS..Hα-helixtrans-64.7-39.3-179.8-65.5-175.9-178.3177.50112S19 E25 Q26 I69 N70S19-K22 PolarHBondContact O-N 2.79Å; S19-K22 VanDerWaalsContact O-N 3.07Å; K22-E25 PolarHBondContact O-N 3.21Å; K22-Q26 WeakPolarHBondContact O-CB 3.47Å; K22-Q26 WeakPolarHBondContact O-CG 3.39Å; K22-Q26 PolarHBondContact O-N 2.78Å; K22-I69 HydrophobicContact CB-CG2 3.68Å; K22-N70 PolarHBondContact NZ-O 3.11Å
23L88.6Confident87Confident0 Ų049.3 Ų49.30%025%0.245CC..Hα-helixtrans-58.7-49.2174.4-69.8171.2000111.5V7 I9 V18 S19 K20 R21 E25 Q26 S27 F30 Y34 L66 I69V7-L23 HydrophobicContact CG2-CD1 3.59Å; I9-L23 HydrophobicContact CD1-CD1 3.86Å; I9-L23 HydrophobicContact CD1-CD2 3.86Å; V18-L23 HydrophobicContact CB-CD1 4.19Å; V18-L23 HydrophobicContact CB-CD2 4.4Å; V18-L23 HydrophobicContact CB-CG 4.29Å; V18-L23 HydrophobicContact CG1-CD1 4.13Å; V18-L23 HydrophobicContact CG1-CD2 3.74Å; V18-L23 HydrophobicContact CG1-CG 3.68Å; S19-L23 PolarHBondContact O-N 3.47Å; S19-L23 VanDerWaalsContact O-N 3.11Å; K20-L23 PolarHBondContact O-N 3.37Å; R21-L23 PolarHBondContact O-N 3.35Å; L23-E25 VanDerWaalsContact C-N 3.33Å; L23-E25 PolarHBondContact O-N 2.95Å; L23-Q26 PolarHBondContact O-N 3.4Å; L23-S27 WeakPolarHBondContact O-CB 3.23Å; L23-S27 PolarHBondContact O-N 2.48Å; L23-F30 HydrophobicContact CB-CB 3.98Å; L23-F30 HydrophobicContact CB-CD2 4.08Å; L23-F30 HydrophobicContact CB-CG 4.04Å; L23-F30 HydrophobicContact CD2-CD2 3.66Å; L23-F30 HydrophobicContact CD2-CE2 3.68Å; L23-F30 HydrophobicContact CD2-CG 4.28Å; L23-F30 HydrophobicContact CD2-CZ 4.28Å; L23-F30 HydrophobicContact CG-CD2 4.36Å; L23-Y34 HydrophobicContact CD1-CE2 4.5Å; L23-L66 HydrophobicContact CD2-CD2 3.93Å; L23-I69 HydrophobicContact CD2-CD1 4Å; L23-I69 HydrophobicContact CD2-CG2 4.31Å
24I88.4Confident87.3Confident46 Ų4644.1 Ų44.124%0.23622%0.215CC..Hα-helixtrans-65.7-36-179.4-67.7169.8000112K20 R21 R31 Y34K20-I24 HydrophobicContact CG-CD1 4.12Å; K20-I24 WeakPolarHBondContact O-CG1 3.33Å; K20-I24 PolarHBondContact O-N 3.34Å; K20-I24 VanDerWaalsContact O-N 3.13Å; R21-I24 PolarHBondContact O-N 3.19Å; I24-R31 HydrophobicContact CG2-CB 4.25Å; I24-R31 HydrophobicContact CG2-CG 3.99Å; I24-R31 PolarHBondContact O-NE 3.15Å; I24-R31 PolarHBondContact O-NH2 3.11Å; I24-Y34 HydrophobicContact CD1-CD2 3.9Å; I24-Y34 HydrophobicContact CD1-CG 4.11Å; I24-Y34 HydrophobicContact CG1-CD2 3.61Å; I24-Y34 HydrophobicContact CG1-CE2 4.43Å; I24-Y34 HydrophobicContact CG1-CG 4.27Å
25E89.1Confident87.4Confident94 Ų9449.6 Ų49.644%0.43924%0.235SC..Hα-helixtrans-69.5-43.2178.6-77171.9-174.500111.7R21 K22 L23 R31R21-E25 VanDerWaalsContact CG-OE1 3.3Å; R21-E25 WeakPolarHBondContact CG-OE1 3.29Å; R21-E25 IonicContact CZ-OE1 2.7Å; R21-E25 IonicContact CZ-OE2 3.77Å; R21-E25 IonicContact NE-OE1 3.12Å; R21-E25 IonicContact NH1-OE1 3.25Å; R21-E25 PolarHBondContact NH1-OE1 2.99Å; R21-E25 IonicContact NH1-OE2 2.67Å; R21-E25 PolarHBondContact NH1-OE2 3.01Å; R21-E25 WeakPolarHBondContact O-CB 3.45Å; R21-E25 WeakPolarHBondContact O-CG 3Å; R21-E25 PolarHBondContact O-N 2.79Å; K22-E25 PolarHBondContact O-N 3.21Å; L23-E25 VanDerWaalsContact C-N 3.33Å; L23-E25 PolarHBondContact O-N 2.95Å; E25-R31 PolarHBondContact O-NH2 2.93Å; E25-R31 VanDerWaalsContact O-NH2 3.11Å
26Q89.6Confident86.9Confident47 Ų4749.7 Ų49.722%0.2224%0.237CC..Hα-helixtrans-98.4-16.4-169.5-62.9-65.1-30.400115K22 L23 I69 S116K22-Q26 WeakPolarHBondContact O-CB 3.47Å; K22-Q26 WeakPolarHBondContact O-CG 3.39Å; K22-Q26 PolarHBondContact O-N 2.78Å; L23-Q26 PolarHBondContact O-N 3.4Å; Q26-I69 HydrophobicContact CB-CG1 3.98Å; Q26-I69 HydrophobicContact CB-CG2 4.44Å; Q26-S116 PolarHBondContact OE1-OG 3.11Å
27S93Very high86Confident0 Ų050.9 Ų50.90%026%0.259CS..  trans-126.9124-177165.10000111.5L23 Y29 F30 R31 L112L23-S27 WeakPolarHBondContact O-CB 3.23Å; L23-S27 PolarHBondContact O-N 2.48Å; S27-Y29 VanDerWaalsContact C-N 3.31Å; S27-Y29 PolarHBondContact OG-N 3.06Å; S27-F30 PolarHBondContact O-N 2.93Å; S27-F30 VanDerWaalsContact OG-CD2 3.24Å; S27-F30 WeakPolarHBondContact OG-CD2 3.27Å; S27-F30 PolarHBondContact OG-N 3.4Å; S27-F30 VanDerWaalsContact OG-N 3.12Å; S27-R31 WeakPolarHBondContact O-CB 3.36Å; S27-R31 PolarHBondContact O-N 3.47Å; S27-L112 WeakPolarHBondContact CB-O 3.32Å; S27-L112 PolarHBondContact OG-O 3.21Å
28D90.9Very high85.1Confident56 Ų5653.7 Ų53.730%0.29927%0.267SS..Hα-helixtrans-69.9-33.1176.9-67.3-3.4000111.1R31 A32 Q113D28-R31 PolarHBondContact O-N 2.93Å; D28-R31 IonicContact OD1-CZ 2.78Å; D28-R31 IonicContact OD1-NH1 2.95Å; D28-R31 PolarHBondContact OD1-NH1 3.17Å; D28-R31 IonicContact OD1-NH2 3.96Å; D28-R31 PolarHBondContact OD1-NH2 3.35Å; D28-A32 WeakPolarHBondContact O-CB 3.09Å; D28-A32 PolarHBondContact O-N 3.12Å; D28-Q113 HydrophobicContact CB-CB 3.88Å; D28-Q113 PolarHBondContact N-O 3.37Å
29Y90.9Very high83.9Confident34 Ų3461.4 Ų61.413%0.13330%0.297CS..Hα-helixtrans-57.9-54.9172.5171.8-89.4000111.3S27 R31 A32 L33 E40 L54 F111 L112S27-Y29 VanDerWaalsContact C-N 3.31Å; S27-Y29 PolarHBondContact OG-N 3.06Å; Y29-R31 VanDerWaalsContact C-N 3.33Å; Y29-R31 PolarHBondContact O-N 2.91Å; Y29-A32 PolarHBondContact O-N 3.5Å; Y29-L33 HydrophobicContact CE1-CD2 4.34Å; Y29-L33 WeakPolarHBondContact O-CB 3.37Å; Y29-L33 PolarHBondContact O-N 3.43Å; Y29-E40 PolarHBondContact OH-OE1 2.61Å; Y29-E40 PolarHBondContact OH-OE2 2.77Å; Y29-E40 VanDerWaalsContact OH-OE2 3.06Å; Y29-L54 HydrophobicContact CE1-CD2 3.97Å; Y29-F111 HydrophobicContact CE2-CE1 4.44Å; Y29-L112 WeakPolarHBondContact CB-O 3.34Å; Y29-L112 HydrophobicContact CD1-CD2 3.82Å; Y29-L112 HydrophobicContact CE1-CD2 4.13Å; Y29-L112 HydrophobicContact CG-CD2 4.34Å
30F89.6Confident82.5Confident0 Ų064.5 Ų64.50%031%0.311CS..Hα-helixtrans-67.7-35.3179.7-72.2-63.7000111.8I9 L23 S27 A32 L33 Y34 L54 L112I9-F30 HydrophobicContact CD1-CE1 4.04Å; I9-F30 HydrophobicContact CD1-CE2 4.23Å; I9-F30 HydrophobicContact CD1-CZ 3.58Å; L23-F30 HydrophobicContact CB-CB 3.98Å; L23-F30 HydrophobicContact CB-CD2 4.08Å; L23-F30 HydrophobicContact CB-CG 4.04Å; L23-F30 HydrophobicContact CD2-CD2 3.66Å; L23-F30 HydrophobicContact CD2-CE2 3.68Å; L23-F30 HydrophobicContact CD2-CG 4.28Å; L23-F30 HydrophobicContact CD2-CZ 4.28Å; L23-F30 HydrophobicContact CG-CD2 4.36Å; S27-F30 PolarHBondContact O-N 2.93Å; S27-F30 VanDerWaalsContact OG-CD2 3.24Å; S27-F30 WeakPolarHBondContact OG-CD2 3.27Å; S27-F30 PolarHBondContact OG-N 3.4Å; S27-F30 VanDerWaalsContact OG-N 3.12Å; F30-A32 VanDerWaalsContact C-N 3.3Å; F30-A32 PolarHBondContact O-N 2.86Å; F30-L33 HydrophobicContact CD1-CD2 4.03Å; F30-L33 HydrophobicContact CE1-CD2 4.42Å; F30-L33 PolarHBondContact O-N 3.2Å; F30-Y34 HydrophobicContact CB-CD2 4.18Å; F30-Y34 HydrophobicContact CB-CE2 4.1Å; F30-Y34 HydrophobicContact CD1-CE2 4.05Å; F30-Y34 HydrophobicContact CG-CE2 4.44Å; F30-Y34 WeakPolarHBondContact O-CD2 3.2Å; F30-Y34 PolarHBondContact O-N 3.43Å; F30-L54 HydrophobicContact CZ-CD1 4.17Å; F30-L112 HydrophobicContact CE2-CD1 4.33Å; F30-L112 HydrophobicContact CE2-CD2 3.83Å; F30-L112 HydrophobicContact CZ-CD2 3.93Å
31R90.1Very high80.8Confident64 Ų6465.5 Ų65.524%0.24233%0.325CS..Hα-helixtrans-59.1-43.2173.3-170.9-179.4-48.3126.111.8111.4I24 E25 S27 D28 Y29 R35I24-R31 HydrophobicContact CG2-CB 4.25Å; I24-R31 HydrophobicContact CG2-CG 3.99Å; I24-R31 PolarHBondContact O-NE 3.15Å; I24-R31 PolarHBondContact O-NH2 3.11Å; E25-R31 PolarHBondContact O-NH2 2.93Å; E25-R31 VanDerWaalsContact O-NH2 3.11Å; S27-R31 WeakPolarHBondContact O-CB 3.36Å; S27-R31 PolarHBondContact O-N 3.47Å; D28-R31 PolarHBondContact O-N 2.93Å; D28-R31 IonicContact OD1-CZ 2.78Å; D28-R31 IonicContact OD1-NH1 2.95Å; D28-R31 PolarHBondContact OD1-NH1 3.17Å; D28-R31 IonicContact OD1-NH2 3.96Å; D28-R31 PolarHBondContact OD1-NH2 3.35Å; Y29-R31 VanDerWaalsContact C-N 3.33Å; Y29-R31 PolarHBondContact O-N 2.91Å; R31-R35 WeakPolarHBondContact O-CB 3.38Å; R31-R35 WeakPolarHBondContact O-CG 3.24Å; R31-R35 PolarHBondContact O-N 3.39Å
32A87.1Confident79.2Confident56 Ų5661.6 Ų61.646%0.46331%0.314SS..Hα-helixtrans-67.3-46.7175.700000111.4D28 Y29 F30 Y34 R35 S36D28-A32 WeakPolarHBondContact O-CB 3.09Å; D28-A32 PolarHBondContact O-N 3.12Å; Y29-A32 PolarHBondContact O-N 3.5Å; F30-A32 VanDerWaalsContact C-N 3.3Å; F30-A32 PolarHBondContact O-N 2.86Å; A32-Y34 PolarHBondContact O-N 3.32Å; A32-R35 PolarHBondContact O-N 2.64Å; A32-S36 WeakPolarHBondContact O-CB 3.19Å; A32-S36 PolarHBondContact O-N 2.91Å; A32-S36 PolarHBondContact O-OG 3.38Å
33L85.5Confident77.3Confident9 Ų962.3 Ų62.35%0.04733%0.326CS..Hα-helixtrans-53.6-53.5178.2-17371.8000111.2Y29 F30 S36 G37 M38 E40Y29-L33 HydrophobicContact CE1-CD2 4.34Å; Y29-L33 WeakPolarHBondContact O-CB 3.37Å; Y29-L33 PolarHBondContact O-N 3.43Å; F30-L33 HydrophobicContact CD1-CD2 4.03Å; F30-L33 HydrophobicContact CE1-CD2 4.42Å; F30-L33 PolarHBondContact O-N 3.2Å; L33-S36 PolarHBondContact O-OG 2.87Å; L33-G37 PolarHBondContact O-N 3.43Å; L33-M38 HydrophobicContact CD1-CB 4.19Å; L33-M38 VanDerWaalsContact CD1-O 3.28Å; L33-M38 WeakPolarHBondContact CD1-O 3.2Å; L33-M38 PolarHBondContact O-N 3.06Å; L33-E40 HydrophobicContact CD1-CG 4.27Å
34Y83.4Confident75.5Confident41 Ų4169.4 Ų69.416%0.16136%0.359CS..Hα-helixtrans-75.4-29.4-176.8-68.5-62.1000114.2K20 L23 I24 F30 A32K20-Y34 HydrophobicContact CD-CE1 4.4Å; K20-Y34 HydrophobicContact CG-CD2 4.47Å; K20-Y34 HydrophobicContact CG-CE1 4.38Å; K20-Y34 HydrophobicContact CG-CE2 4.21Å; L23-Y34 HydrophobicContact CD1-CE2 4.5Å; I24-Y34 HydrophobicContact CD1-CD2 3.9Å; I24-Y34 HydrophobicContact CD1-CG 4.11Å; I24-Y34 HydrophobicContact CG1-CD2 3.61Å; I24-Y34 HydrophobicContact CG1-CE2 4.43Å; I24-Y34 HydrophobicContact CG1-CG 4.27Å; F30-Y34 HydrophobicContact CB-CD2 4.18Å; F30-Y34 HydrophobicContact CB-CE2 4.1Å; F30-Y34 HydrophobicContact CD1-CE2 4.05Å; F30-Y34 HydrophobicContact CG-CE2 4.44Å; F30-Y34 WeakPolarHBondContact O-CD2 3.2Å; F30-Y34 PolarHBondContact O-N 3.43Å; A32-Y34 PolarHBondContact O-N 3.32Å
35R81.4Confident73.5Confident197 Ų19775 Ų7574%0.74338%0.384SS*.Hα-helixtrans-79.8-33177.3-74.1-177.9179.2177.9-0.1113.5R31 A32 G37R31-R35 WeakPolarHBondContact O-CB 3.38Å; R31-R35 WeakPolarHBondContact O-CG 3.24Å; R31-R35 PolarHBondContact O-N 3.39Å; A32-R35 PolarHBondContact O-N 2.64Å; R35-G37 VanDerWaalsContact C-N 3.35Å
36S74.2Confident71.1Confident71 Ų7175.9 Ų75.950%0.49741%0.408SS..Hα-helixtrans-82.8-13.6-177.662.60000113.4A32 L33 M38A32-S36 WeakPolarHBondContact O-CB 3.19Å; A32-S36 PolarHBondContact O-N 2.91Å; A32-S36 PolarHBondContact O-OG 3.38Å; L33-S36 PolarHBondContact O-OG 2.87Å; S36-M38 PolarHBondContact O-N 2.93Å; S36-M38 WeakPolarHBondContact OG-CB 3.13Å; S36-M38 WeakPolarHBondContact OG-CG 3.43Å; S36-M38 PolarHBondContact OG-N 2.71Å
37G65.1Low69.3Low57 Ų5778 Ų7859%0.58844%0.441SS*.THydrogen-bonded Turntrans7210.4-17300000113.5L33 R35L33-G37 PolarHBondContact O-N 3.43Å; R35-G37 VanDerWaalsContact C-N 3.35Å
38M63.4Low67.7Low129 Ų12980.2 Ų80.264%0.63547%0.465SS*.  trans-66.8137.1170.9-69.3-149.5-6100109.9L33 S36L33-M38 HydrophobicContact CD1-CB 4.19Å; L33-M38 VanDerWaalsContact CD1-O 3.28Å; L33-M38 WeakPolarHBondContact CD1-O 3.2Å; L33-M38 PolarHBondContact O-N 3.06Å; S36-M38 PolarHBondContact O-N 2.93Å; S36-M38 WeakPolarHBondContact OG-CB 3.13Å; S36-M38 WeakPolarHBondContact OG-CG 3.43Å; S36-M38 PolarHBondContact OG-N 2.71Å
39R60.7Low66.3Low164 Ų16481.5 Ų81.562%0.61948%0.476SS*.  trans-123.7114-178.4-71.7169.8170.3-168.44.7108.2A41 L42R39-A41 PolarHBondContact O-N 3.35Å; R39-L42 HydrophobicContact CG-CD1 4.34Å
40E58.1Low65.2Low67 Ų6782.5 Ų82.531%0.31348%0.482SS..SBendtrans-76.3107.8166.7-73.1-163.2176.500108Y29 L33 L42 Q52Y29-E40 PolarHBondContact OH-OE1 2.61Å; Y29-E40 PolarHBondContact OH-OE2 2.77Å; Y29-E40 VanDerWaalsContact OH-OE2 3.06Å; L33-E40 HydrophobicContact CD1-CG 4.27Å; E40-L42 PolarHBondContact O-N 3.15Å; E40-Q52 PolarHBondContact O-OE1 3.43Å
41A52Low64.4Low55 Ų5584 Ų8446%0.45549%0.491SS..  trans27.686.3171.900000116.1R39 S43R39-A41 PolarHBondContact O-N 3.35Å; A41-S43 PolarHBondContact O-N 3.05Å
42L54.4Low63.8Low55 Ų5581.1 Ų81.129%0.28848%0.48SS..  trans-68.6122.8169.9-77.3166.5000110.9R39 E40 Q44R39-L42 HydrophobicContact CG-CD1 4.34Å; E40-L42 PolarHBondContact O-N 3.15Å; L42-Q44 HydrophobicContact CB-CB 4.41Å
43S47.9Very low63.5Low67 Ų6781.5 Ų81.547%0.46947%0.472SS..  trans-91.186.5143.267.30000107.3A41 E45A41-S43 PolarHBondContact O-N 3.05Å; S43-E45 PolarHBondContact O-N 3.08Å; S43-E45 VanDerWaalsContact O-N 3.08Å
44Q49.9Very low63.3Low148 Ų14881.2 Ų81.269%0.69247%0.471SS*.  trans-76.894.6177.2-143173.822.600108.3L42L42-Q44 HydrophobicContact CB-CB 4.41Å
45E46.2Very low63.1Low165 Ų16588 Ų8877%0.77150%0.496SS*.  trans-73.4122.5162.5-76.3-173.9172.700108.1S43 G47 G48S43-E45 PolarHBondContact O-N 3.08Å; S43-E45 VanDerWaalsContact O-N 3.08Å; E45-G47 PolarHBondContact O-N 3.37Å; E45-G48 PolarHBondContact O-N 3.36Å
46A38.7Very low63Low112 Ų11281.4 Ų81.493%0.92649%0.49SS*.THydrogen-bonded Turntrans-58112.3-172.400000111.5
47G53.7Low63.6Low90 Ų9078.7 Ų78.793%0.92847%0.47SS*.THydrogen-bonded Turntrans97.71.6175.600000116.3E45E45-G47 PolarHBondContact O-N 3.37Å
48G57.6Low64.7Low48 Ų4877.5 Ų77.550%0.49545%0.452SS..SBendtrans-90.1169.7177.100000115.1E45E45-G48 PolarHBondContact O-N 3.36Å
49P61.7Low65.7Low82 Ų8272 Ų7253%0.53243%0.428SS..PPolyproline II helixtrans-59.8150172.426.2-33.2000111.3Q8 V51Q8-P49 HydrophobicContact CG-CB 4.42Å; Q8-P49 HydrophobicContact CG-CG 4.09Å; P49-V51 WeakPolarHBondContact O-CG2 3.4Å; P49-V51 PolarHBondContact O-N 3.08Å
50E69Low66.9Low55 Ų5566.2 Ų66.226%0.25741%0.411SS..PPolyproline II helixtrans-61120178.9-174.6-177.6-177.600110V7 Q8 K20 Q52V7-E50 HydrophobicContact CG1-CB 4.04Å; Q8-E50 PolarHBondContact N-O 3.43Å; K20-E50 IonicContact NZ-OE2 3.53Å; K20-E50 PolarHBondContact NZ-OE2 3.32Å; E50-Q52 PolarHBondContact OE1-NE2 2.87Å; E50-Q52 VanDerWaalsContact OE1-NE2 3.08Å
51V73Confident68.3Low32 Ų3263 Ų6319%0.19440%0.396CS..EExtended strand (participates in β ladder)trans-106.8125.1179.2-172.10000109.6Q8 R10 P49Q8-V51 HydrophobicContact CB-CB 4.48Å; Q8-V51 HydrophobicContact CB-CG1 4.38Å; Q8-V51 HydrophobicContact CB-CG2 4.1Å; Q8-V51 CarbonylContact O-C 3.56Å; Q8-V51 VanDerWaalsContact O-CA 3.29Å; Q8-V51 WeakPolarHBondContact O-CA 3.32Å; R10-V51 HydrophobicContact CB-CG1 3.82Å; P49-V51 WeakPolarHBondContact O-CG2 3.4Å; P49-V51 PolarHBondContact O-N 3.08Å
52Q76.1Confident70.1Confident3 Ų360.4 Ų60.41%0.01438%0.375CS..EExtended strand (participates in β ladder)trans-109.9126.2175.2-64.9-70.7-9.600109.4Q8 R10 E40 E50Q8-Q52 PolarHBondContact O-N 3.21Å; R10-Q52 PolarHBondContact N-O 3.21Å; E40-Q52 PolarHBondContact O-OE1 3.43Å; E50-Q52 PolarHBondContact OE1-NE2 2.87Å; E50-Q52 VanDerWaalsContact OE1-NE2 3.08Å
53Q80.7Confident71.7Confident64 Ų6462.3 Ų62.330%0.29938%0.378SS..EExtended strand (participates in β ladder)trans-98.9110.6179.2-173.8173.828.500111.1R10R10-Q53 WeakPolarHBondContact O-CA 3.38Å
54L81.7Confident73.6Confident4 Ų459.8 Ų59.82%0.02136%0.359CS..  trans-85.8153.6174.7-65.5175.1000111I9 R10 L11 Y29 F30 L57 L62 L112I9-L54 HydrophobicContact CG2-CD1 3.44Å; I9-L54 VanDerWaalsContact CG2-CD1 3.44Å; I9-L54 HydrophobicContact CG2-CG 3.94Å; R10-L54 PolarHBondContact O-N 3.26Å; L11-L54 HydrophobicContact CD1-CB 4.16Å; L11-L54 WeakPolarHBondContact CD1-O 3.48Å; Y29-L54 HydrophobicContact CE1-CD2 3.97Å; F30-L54 HydrophobicContact CZ-CD1 4.17Å; L54-L57 HydrophobicContact CD1-CD1 4.27Å; L54-L62 HydrophobicContact CD1-CD1 3.78Å; L54-L62 HydrophobicContact CD1-CD2 4.2Å; L54-L112 HydrophobicContact CD1-CD2 4.29Å
55R79.7Confident75.5Confident182 Ų18252.7 Ų52.769%0.68733%0.326SS*.  trans-135.3153.7172.3-62.7-174.2-177.7-169.5-0.3110.1
56G79.3Confident77.5Confident60 Ų6045 Ų4562%0.61929%0.29SS*.SBendtrans79.518.3175.300000114.8
57L86.8Confident79.8Confident14 Ų1442.8 Ų42.87%0.07326%0.263CS..SBendtrans-122.9151.9170.2-69.4178.1000109.2L11 L54 L62 A108 F111 L112L11-L57 HydrophobicContact CD1-CB 4.42Å; L11-L57 WeakPolarHBondContact CD2-O 3.41Å; L54-L57 HydrophobicContact CD1-CD1 4.27Å; L57-L62 HydrophobicContact CD1-CD1 4.21Å; L57-A108 HydrophobicContact CD2-CB 4.04Å; L57-F111 HydrophobicContact CD1-CD1 3.81Å; L57-F111 HydrophobicContact CD1-CE1 4.19Å; L57-F111 HydrophobicContact CD2-CB 3.83Å; L57-F111 HydrophobicContact CD2-CD1 3.88Å; L57-F111 HydrophobicContact CD2-CG 3.84Å; L57-F111 HydrophobicContact CG-CD1 3.93Å; L57-F111 HydrophobicContact CG-CE1 4.27Å; L57-F111 HydrophobicContact CG-CG 4.34Å; L57-L112 HydrophobicContact CD1-CD1 4.03Å; L57-L112 HydrophobicContact CD1-CD2 4.06Å; L57-L112 HydrophobicContact CD1-CG 3.97Å
58S87.6Confident81.4Confident31 Ų3138.8 Ų38.822%0.21722%0.22CC..  trans-79.9153.3168.276.90000111.6L11 G61 L62 E104L11-S58 VanDerWaalsContact CD2-C 3.45Å; L11-S58 WeakPolarHBondContact CD2-O 3.47Å; S58-G61 PolarHBondContact OG-N 2.99Å; S58-G61 VanDerWaalsContact OG-N 3.08Å; S58-L62 WeakPolarHBondContact O-CB 3.5Å; S58-L62 PolarHBondContact O-N 3.38Å; S58-E104 WeakPolarHBondContact CB-OE2 3.38Å; S58-E104 PolarHBondContact OG-OE2 3.35Å
59A85.6Confident82.8Confident14 Ų1436.5 Ų36.512%0.11620%0.196CC..Hα-helixtrans-61.3-42.617400000113.5L11 R63L11-A59 HydrophobicContact CD2-CB 4.1Å; A59-R63 VanDerWaalsContact O-CB 3.29Å; A59-R63 WeakPolarHBondContact O-CB 3.36Å; A59-R63 PolarHBondContact O-N 3.35Å
60P85.6Confident83.8Confident42 Ų4235.1 Ų35.127%0.27319%0.185SC..Hα-helixtrans-61.5-47.3175.5-24.535.4000113.1R63 L64 M96P60-R63 PolarHBondContact O-N 3.29Å; P60-L64 WeakPolarHBondContact O-CG 3.29Å; P60-L64 PolarHBondContact O-N 3.21Å; P60-L64 VanDerWaalsContact O-N 3.08Å; P60-M96 HydrophobicContact CB-SD 3.95Å; P60-M96 HydrophobicContact CG-SD 3.78Å
61G87.3Confident84.3Confident0 Ų035 Ų350%019%0.193CC..Hα-helixtrans-62.8-46.2-179.300000112.2S58 R63 L64 V65 E104S58-G61 PolarHBondContact OG-N 2.99Å; S58-G61 VanDerWaalsContact OG-N 3.08Å; G61-R63 PolarHBondContact O-N 3.39Å; G61-L64 PolarHBondContact O-N 3.2Å; G61-V65 WeakPolarHBondContact O-CG2 3.28Å; G61-V65 PolarHBondContact O-N 3.29Å; G61-V65 VanDerWaalsContact O-N 3.13Å; G61-E104 WeakPolarHBondContact CA-O 3.33Å
62L89.9Confident84.2Confident0 Ų035.6 Ų35.60%021%0.206CC..Hα-helixtrans-59.8-47.3175.6179.863.3000111.3I9 L11 Y16 L54 L57 S58 L64 V65 L66 L112I9-L62 HydrophobicContact CG2-CD1 4.46Å; I9-L62 HydrophobicContact CG2-CD2 3.96Å; L11-L62 HydrophobicContact CB-CD2 3.61Å; L11-L62 HydrophobicContact CD2-CB 4.14Å; L11-L62 HydrophobicContact CD2-CD2 3.77Å; L11-L62 HydrophobicContact CG-CD2 4.19Å; Y16-L62 HydrophobicContact CD2-CD2 3.99Å; Y16-L62 HydrophobicContact CE2-CD2 3.96Å; L54-L62 HydrophobicContact CD1-CD1 3.78Å; L54-L62 HydrophobicContact CD1-CD2 4.2Å; L57-L62 HydrophobicContact CD1-CD1 4.21Å; S58-L62 WeakPolarHBondContact O-CB 3.5Å; S58-L62 PolarHBondContact O-N 3.38Å; L62-L64 VanDerWaalsContact C-N 3.32Å; L62-L64 PolarHBondContact O-N 2.93Å; L62-V65 PolarHBondContact O-N 3.03Å; L62-L66 HydrophobicContact CD1-CD1 3.9Å; L62-L66 HydrophobicContact CD1-CD2 4.21Å; L62-L66 HydrophobicContact CD1-CG 3.88Å; L62-L66 HydrophobicContact CD2-CD1 4.38Å; L62-L66 HydrophobicContact CG-CD1 3.85Å; L62-L66 HydrophobicContact CG-CG 4.16Å; L62-L66 VanDerWaalsContact O-CG 3.28Å; L62-L66 WeakPolarHBondContact O-CG 3.27Å; L62-L66 PolarHBondContact O-N 2.82Å; L62-L112 HydrophobicContact CD1-CD1 3.84Å
63R87.8Confident83.5Confident95 Ų9536.7 Ų36.736%0.35822%0.218SC..Hα-helixtrans-56-46.6179.7-179.6179.8179.6172.44.5111.6Y16 A59 P60 G61 L66 D67 D93Y16-R63 HydrophobicContact CE1-CB 4.06Å; Y16-R63 HydrophobicContact CE1-CG 4.22Å; A59-R63 VanDerWaalsContact O-CB 3.29Å; A59-R63 WeakPolarHBondContact O-CB 3.36Å; A59-R63 PolarHBondContact O-N 3.35Å; P60-R63 PolarHBondContact O-N 3.29Å; G61-R63 PolarHBondContact O-N 3.39Å; R63-L66 PolarHBondContact O-N 3.03Å; R63-D67 WeakPolarHBondContact O-CB 3.41Å; R63-D67 VanDerWaalsContact O-CG 3.27Å; R63-D67 PolarHBondContact O-N 3.13Å; R63-D93 IonicContact NH1-OD2 4Å; R63-D93 PolarHBondContact NH1-OD2 3.4Å
64L86.9Confident82.3Confident14 Ų1437.5 Ų37.57%0.07324%0.236CC..Hα-helixtrans-59.5-51.2177.4-66.7169.1000111.2P60 G61 L62 L66 D67 F68 W78 L101 L105P60-L64 WeakPolarHBondContact O-CG 3.29Å; P60-L64 PolarHBondContact O-N 3.21Å; P60-L64 VanDerWaalsContact O-N 3.08Å; G61-L64 PolarHBondContact O-N 3.2Å; L62-L64 VanDerWaalsContact C-N 3.32Å; L62-L64 PolarHBondContact O-N 2.93Å; L64-L66 VanDerWaalsContact C-N 3.28Å; L64-L66 PolarHBondContact O-N 3.3Å; L64-D67 PolarHBondContact O-N 3.45Å; L64-F68 PolarHBondContact O-N 2.84Å; L64-W78 HydrophobicContact CB-CH2 4.08Å; L64-W78 HydrophobicContact CD2-CH2 4.15Å; L64-W78 WeakPolarHBondContact O-CH2 3.23Å; L64-L101 HydrophobicContact CD1-CD1 3.73Å; L64-L101 HydrophobicContact CD1-CD2 4.45Å; L64-L101 HydrophobicContact CD1-CG 3.8Å; L64-L105 HydrophobicContact CB-CD1 3.6Å; L64-L105 HydrophobicContact CD1-CB 4Å; L64-L105 HydrophobicContact CD1-CD1 3.96Å; L64-L105 HydrophobicContact CG-CD1 4.39Å
65V90.5Very high80.9Confident0 Ų045.5 Ų45.50%027%0.266CS..Hα-helixtrans-59.5-41.7-179.3175.40000111.4G61 L62 F68 I69 A108 A109 L112 V114 L117G61-V65 WeakPolarHBondContact O-CG2 3.28Å; G61-V65 PolarHBondContact O-N 3.29Å; G61-V65 VanDerWaalsContact O-N 3.13Å; L62-V65 PolarHBondContact O-N 3.03Å; V65-F68 WeakPolarHBondContact O-CB 3.44Å; V65-F68 PolarHBondContact O-N 3.39Å; V65-I69 HydrophobicContact CG1-CD1 3.96Å; V65-I69 VanDerWaalsContact O-CG1 3.27Å; V65-I69 WeakPolarHBondContact O-CG1 3.47Å; V65-I69 PolarHBondContact O-N 3.4Å; V65-A108 HydrophobicContact CG2-CB 3.63Å; V65-A109 HydrophobicContact CG2-CB 4.3Å; V65-L112 HydrophobicContact CB-CD1 4.27Å; V65-L112 HydrophobicContact CG1-CD1 3.8Å; V65-V114 HydrophobicContact CG1-CB 4.44Å; V65-V114 HydrophobicContact CG1-CG2 3.61Å; V65-L117 HydrophobicContact CG2-CD2 3.92Å
66L88.9Confident79.4Confident2 Ų246 Ų461%0.0128%0.275CS..Hα-helixtrans-68.9-38.3178.5-63.1-175.1000112.7I9 Y16 V18 L23 L62 R63 L64 F68 I69 N70I9-L66 HydrophobicContact CB-CD1 4.26Å; I9-L66 HydrophobicContact CD1-CD1 4.03Å; I9-L66 HydrophobicContact CD1-CD2 3.63Å; I9-L66 HydrophobicContact CD1-CG 4.48Å; I9-L66 HydrophobicContact CG2-CD1 4.48Å; Y16-L66 VanDerWaalsContact CB-CD1 3.43Å; Y16-L66 HydrophobicContact CD1-CD1 4.49Å; Y16-L66 HydrophobicContact CD2-CD1 4.2Å; Y16-L66 HydrophobicContact CG-CD1 3.81Å; V18-L66 HydrophobicContact CG2-CB 4.17Å; V18-L66 HydrophobicContact CG2-CD1 3.91Å; V18-L66 HydrophobicContact CG2-CD2 4.08Å; V18-L66 HydrophobicContact CG2-CG 4.25Å; L23-L66 HydrophobicContact CD2-CD2 3.93Å; L62-L66 HydrophobicContact CD1-CD1 3.9Å; L62-L66 HydrophobicContact CD1-CD2 4.21Å; L62-L66 HydrophobicContact CD1-CG 3.88Å; L62-L66 HydrophobicContact CD2-CD1 4.38Å; L62-L66 HydrophobicContact CG-CD1 3.85Å; L62-L66 HydrophobicContact CG-CG 4.16Å; L62-L66 VanDerWaalsContact O-CG 3.28Å; L62-L66 WeakPolarHBondContact O-CG 3.27Å; L62-L66 PolarHBondContact O-N 2.82Å; R63-L66 PolarHBondContact O-N 3.03Å; L64-L66 VanDerWaalsContact C-N 3.28Å; L64-L66 PolarHBondContact O-N 3.3Å; L66-F68 VanDerWaalsContact C-N 3.33Å; L66-F68 PolarHBondContact O-N 3.49Å; L66-I69 HydrophobicContact CD2-CD1 4.37Å; L66-I69 PolarHBondContact O-N 3.31Å; L66-N70 VanDerWaalsContact O-CB 3.29Å; L66-N70 WeakPolarHBondContact O-CB 3.47Å; L66-N70 PolarHBondContact O-N 2.92Å; L66-N70 PolarHBondContact O-ND2 2.79Å
67D86.3Confident78.1Confident67 Ų6745.3 Ų45.336%0.35827%0.269SS..Hα-helixtrans-62-41.2174.3-77.3-16.3000111.2R63 L64 N70 A71 W78R63-D67 WeakPolarHBondContact O-CB 3.41Å; R63-D67 VanDerWaalsContact O-CG 3.27Å; R63-D67 PolarHBondContact O-N 3.13Å; L64-D67 PolarHBondContact O-N 3.45Å; D67-N70 PolarHBondContact O-N 3.43Å; D67-A71 VanDerWaalsContact O-CB 3.29Å; D67-A71 WeakPolarHBondContact O-CB 3.49Å; D67-A71 PolarHBondContact O-N 3.24Å; D67-W78 HydrophobicContact CB-CH2 4.13Å; D67-W78 HydrophobicContact CB-CZ2 3.47Å; D67-W78 VanDerWaalsContact CB-CZ2 3.47Å
68F87Confident76.6Confident5 Ų547.9 Ų47.92%0.02228%0.278CS..Hα-helixtrans-60.6-47.6173.4174.4-98.6000112.2L64 V65 L66 N70 A71 G72 G73 W78 V114 S116 L117 L120L64-F68 PolarHBondContact O-N 2.84Å; V65-F68 WeakPolarHBondContact O-CB 3.44Å; V65-F68 PolarHBondContact O-N 3.39Å; L66-F68 VanDerWaalsContact C-N 3.33Å; L66-F68 PolarHBondContact O-N 3.49Å; F68-N70 VanDerWaalsContact C-N 3.33Å; F68-N70 PolarHBondContact O-N 3.41Å; F68-A71 PolarHBondContact O-N 2.87Å; F68-G72 PolarHBondContact O-N 2.91Å; F68-G73 VanDerWaalsContact CZ-CA 3.5Å; F68-G73 PolarHBondContact O-N 3.49Å; F68-W78 HydrophobicContact CB-CE3 4.25Å; F68-W78 HydrophobicContact CB-CH2 3.91Å; F68-W78 HydrophobicContact CB-CZ3 3.66Å; F68-W78 HydrophobicContact CD2-CE3 4.17Å; F68-W78 HydrophobicContact CD2-CZ3 4.29Å; F68-W78 HydrophobicContact CG-CZ3 4.42Å; F68-V114 HydrophobicContact CD1-CG1 4.1Å; F68-V114 HydrophobicContact CE1-CG1 3.99Å; F68-S116 WeakPolarHBondContact CE1-OG 3.29Å; F68-L117 HydrophobicContact CD1-CB 3.94Å; F68-L117 HydrophobicContact CD1-CD1 4.35Å; F68-L117 HydrophobicContact CD1-CD2 4.36Å; F68-L117 HydrophobicContact CD1-CG 4.45Å; F68-L117 HydrophobicContact CD2-CD1 3.89Å; F68-L117 HydrophobicContact CE1-CB 3.7Å; F68-L117 HydrophobicContact CE2-CD1 4.08Å; F68-L117 HydrophobicContact CG-CB 4.47Å; F68-L117 HydrophobicContact CG-CD1 4.02Å; F68-L117 HydrophobicContact CG-CD2 4.45Å; F68-L117 HydrophobicContact CZ-CB 4.03Å; F68-L117 HydrophobicContact CZ-CD1 4.37Å; F68-L120 HydrophobicContact CE2-CD2 3.93Å
69I87.1Confident75Confident0 Ų047.7 Ų47.70%027%0.274CS..Hα-helixtrans-61.8-44.1177.8-68.7171.3000110.2V18 K22 L23 Q26 V65 L66 A71 G72 V114V18-I69 HydrophobicContact CG1-CG2 4.25Å; K22-I69 HydrophobicContact CB-CG2 3.68Å; L23-I69 HydrophobicContact CD2-CD1 4Å; L23-I69 HydrophobicContact CD2-CG2 4.31Å; Q26-I69 HydrophobicContact CB-CG1 3.98Å; Q26-I69 HydrophobicContact CB-CG2 4.44Å; V65-I69 HydrophobicContact CG1-CD1 3.96Å; V65-I69 VanDerWaalsContact O-CG1 3.27Å; V65-I69 WeakPolarHBondContact O-CG1 3.47Å; V65-I69 PolarHBondContact O-N 3.4Å; L66-I69 HydrophobicContact CD2-CD1 4.37Å; L66-I69 PolarHBondContact O-N 3.31Å; I69-A71 PolarHBondContact O-N 3.45Å; I69-G72 PolarHBondContact O-N 3.47Å; I69-G72 VanDerWaalsContact O-N 3.13Å; I69-V114 HydrophobicContact CD1-CG2 4.31Å
70N83.4Confident73.4Confident53 Ų5349.6 Ų49.628%0.28328%0.282SS..Hα-helixtrans-64.6-39.1179-84.7-31.3000112.4V18 K22 L66 D67 F68 G72V18-N70 WeakPolarHBondContact CG1-OD1 3.41Å; K22-N70 PolarHBondContact NZ-O 3.11Å; L66-N70 VanDerWaalsContact O-CB 3.29Å; L66-N70 WeakPolarHBondContact O-CB 3.47Å; L66-N70 PolarHBondContact O-N 2.92Å; L66-N70 PolarHBondContact O-ND2 2.79Å; D67-N70 PolarHBondContact O-N 3.43Å; F68-N70 VanDerWaalsContact C-N 3.33Å; F68-N70 PolarHBondContact O-N 3.41Å; N70-G72 PolarHBondContact O-N 3.07Å
71A79.8Confident71.4Confident53 Ų5349.7 Ų49.744%0.43829%0.29SS..THydrogen-bonded Turntrans-69.1-6.6175.500000113.8D67 F68 I69D67-A71 VanDerWaalsContact O-CB 3.29Å; D67-A71 WeakPolarHBondContact O-CB 3.49Å; D67-A71 PolarHBondContact O-N 3.24Å; F68-A71 PolarHBondContact O-N 2.87Å; I69-A71 PolarHBondContact O-N 3.45Å
72G69.4Low68.9Low45 Ų4556.1 Ų56.146%0.46433%0.332SS..THydrogen-bonded Turntrans78.524.3177.100000113.8F68 I69 N70 A74F68-G72 PolarHBondContact O-N 2.91Å; I69-G72 PolarHBondContact O-N 3.47Å; I69-G72 VanDerWaalsContact O-N 3.13Å; N70-G72 PolarHBondContact O-N 3.07Å; G72-A74 VanDerWaalsContact C-N 3.3Å; G72-A74 PolarHBondContact O-N 3.47Å
73G63.1Low66.7Low26 Ų2666.5 Ų66.527%0.26837%0.371SS..THydrogen-bonded Turntrans75.16.4170.500000116.6F68F68-G73 VanDerWaalsContact CZ-CA 3.5Å; F68-G73 PolarHBondContact O-N 3.49Å
74A54.7Low64.2Low81 Ų8165 Ų6567%0.66939%0.386SS*.  trans-133.285.2-174.800000112.3G72G72-A74 VanDerWaalsContact C-N 3.3Å; G72-A74 PolarHBondContact O-N 3.47Å
75R52.9Low61.7Low172 Ų17273.7 Ų73.765%0.64943%0.426SS*.  trans-141.5108.4156.1-87.9-171.5161.5-175.9-5.9110W78R75-W78 HydrophobicContact CB-CB 3.82Å; R75-W78 HydrophobicContact CB-CG 4.31Å; R75-W78 WeakPolarHBondContact O-CB 3.27Å
76E47.8Very low59Low191 Ų19183.3 Ų83.389%0.89347%0.468SS*.THydrogen-bonded Turntrans-59.8133.7162.4-69.8-179.4160.500109.1
77G51.5Low56.2Low47 Ų4787 Ų8749%0.48551%0.506SS..THydrogen-bonded Turntrans8210.1178.300000116.4L79G77-L79 PolarHBondContact O-N 3.05Å
78W56.3Low53.6Low67 Ų6788 Ų8825%0.25453%0.533SS..SBendtrans-69.7-24-174.5-177.259.3000115.4L64 D67 F68 R75L64-W78 HydrophobicContact CB-CH2 4.08Å; L64-W78 HydrophobicContact CD2-CH2 4.15Å; L64-W78 WeakPolarHBondContact O-CH2 3.23Å; D67-W78 HydrophobicContact CB-CH2 4.13Å; D67-W78 HydrophobicContact CB-CZ2 3.47Å; D67-W78 VanDerWaalsContact CB-CZ2 3.47Å; F68-W78 HydrophobicContact CB-CE3 4.25Å; F68-W78 HydrophobicContact CB-CH2 3.91Å; F68-W78 HydrophobicContact CB-CZ3 3.66Å; F68-W78 HydrophobicContact CD2-CE3 4.17Å; F68-W78 HydrophobicContact CD2-CZ3 4.29Å; F68-W78 HydrophobicContact CG-CZ3 4.42Å; R75-W78 HydrophobicContact CB-CB 3.82Å; R75-W78 HydrophobicContact CB-CG 4.31Å; R75-W78 WeakPolarHBondContact O-CB 3.27Å
79L54Low50.9Low27 Ų2791.4 Ų91.414%0.14157%0.569CS.*SBendtrans-100.8-20.4-168.9-95.8153.7000115.9G77 L105 L117 L121G77-L79 PolarHBondContact O-N 3.05Å; L79-L105 HydrophobicContact CD1-CD1 4.47Å; L79-L105 HydrophobicContact CD1-CD2 3.5Å; L79-L105 HydrophobicContact CD2-CD1 4.07Å; L79-L105 HydrophobicContact CD2-CD2 3.46Å; L79-L105 VanDerWaalsContact CD2-CD2 3.46Å; L79-L105 HydrophobicContact CD2-CG 4.29Å; L79-L105 HydrophobicContact CG-CD2 4.11Å; L79-L117 HydrophobicContact CD1-CD1 4.22Å; L79-L121 HydrophobicContact CD1-CD2 4.34Å
80L51.5Low48.6Very low55 Ų5598 Ų9829%0.28861%0.609SS.*SBendtrans-150.235.6-169.9-65.5170.8000113.2E98L80-E98 HydrophobicContact CD2-CB 4.35Å; L80-E98 HydrophobicContact CD2-CG 4.32Å
81G42.9Very low46.5Very low43 Ų43100.7 Ų100.744%0.44362%0.623SS.*SBendtrans-104.6155.2169.300000111R83G81-R83 PolarHBondContact O-N 3.45Å; G81-R83 VanDerWaalsContact O-N 3.08Å
82P34.8Very low44.8Very low136 Ų136107.3 Ų107.388%0.88365%0.645SS**  trans-55.9120.7176.615-21.3000109.3G84P82-G84 VanDerWaalsContact C-N 3.33Å; P82-G84 PolarHBondContact O-N 3.07Å
83R45Very low43.8Very low217 Ų217108.4 Ų108.482%0.81964%0.64SS**  trans-60.896.7176.1-83-177168.7-177.7-1.4107.9G81 E85G81-R83 PolarHBondContact O-N 3.45Å; G81-R83 VanDerWaalsContact O-N 3.08Å; R83-E85 PolarHBondContact O-N 3.32Å
84G34.4Very low43.4Very low64 Ų64115.7 Ų115.766%0.6667%0.667SS**  trans-58.3128.5170.400000109.2P82 K86P82-G84 VanDerWaalsContact C-N 3.33Å; P82-G84 PolarHBondContact O-N 3.07Å; G84-K86 PolarHBondContact O-N 2.94Å
85E34.3Very low43.8Very low197 Ų197121.5 Ų121.592%0.92168%0.68SS**  trans-42.8104.1174.3-67.8177.3149.500110.8R83R83-E85 PolarHBondContact O-N 3.32Å
86K33.1Very low44.6Very low202 Ų202116.4 Ų116.488%0.87867%0.665SS**  trans-133.585.3160.2-80.4-162.8174.5-176.20109.4G84G84-K86 PolarHBondContact O-N 2.94Å
87G30.8Very low46.1Very low78 Ų78111.8 Ų111.880%0.80465%0.646SS**  50.5106.1128.400000118.5
88G31.8Very low47.4Very low90 Ų90114.9 Ų114.993%0.92865%0.648SS**  87.889.2128.800000116.7
89G29.8Very low48.7Very low75 Ų75114.7 Ų114.777%0.77365%0.654SS**  trans168.3102.3164.700000109.4D91G89-D91 PolarHBondContact O-N 3.23Å
90V38.6Very low50.2Low139 Ų139115.7 Ų115.784%0.84266%0.664SS**  trans-60.3112.6177.6178.40000108.8
91D40.1Very low51.8Low110 Ų110115 Ų11559%0.58866%0.66SS**  trans-143.2127.3147.3-85.9-36.8000106.1G89 D93G89-D91 PolarHBondContact O-N 3.23Å; D91-D93 PolarHBondContact O-N 3.19Å
92E43.8Very low54Low192 Ų192113.7 Ų113.790%0.89764%0.643SS**  trans-67.861.1171.9-64.6175.215800109.3E94E92-E94 PolarHBondContact O-N 2.99Å
93D49.3Very low56.7Low68 Ų68108.6 Ų108.636%0.36461%0.61SS.*  trans-70.5110.1168.7-75.3-25.3000105.9R14 R63 D91 E95R14-D93 IonicContact CZ-OD1 3.36Å; R14-D93 IonicContact NH1-OD1 2.94Å; R14-D93 PolarHBondContact NH1-OD1 2.6Å; R14-D93 IonicContact NH1-OD2 2.74Å; R14-D93 IonicContact NH2-OD1 2.81Å; R14-D93 PolarHBondContact NH2-OD1 2.83Å; R63-D93 IonicContact NH1-OD2 4Å; R63-D93 PolarHBondContact NH1-OD2 3.4Å; D91-D93 PolarHBondContact O-N 3.19Å; D93-E95 PolarHBondContact O-N 3.08Å; D93-E95 VanDerWaalsContact O-N 3.11Å
94E54.7Low58.9Low179 Ų179100.4 Ų100.484%0.83658%0.581SS**  trans-42.6122.2167.8-70-179160.200108.1E92 M96E92-E94 PolarHBondContact O-N 2.99Å; E94-M96 PolarHBondContact O-N 2.92Å
95E62.2Low61.6Low202 Ų20297.3 Ų97.394%0.94455%0.55SS*.  trans-61.591.1176.2-83.3-174.5149.600108.4D93D93-E95 PolarHBondContact O-N 3.08Å; D93-E95 VanDerWaalsContact O-N 3.11Å
96M69.7Low64.4Low66 Ų6688 Ų8833%0.32551%0.506SS..  trans-64139171.9-83.7176.169.700109.2P60 E94 S100 E104P60-M96 HydrophobicContact CB-SD 3.95Å; P60-M96 HydrophobicContact CG-SD 3.78Å; E94-M96 PolarHBondContact O-N 2.92Å; M96-S100 WeakPolarHBondContact CE-O 3.15Å; M96-E104 HydrophobicContact CE-CG 3.53Å
97D80.3Confident67.3Low93 Ų9381 Ų8150%0.49748%0.477SS..  trans-66.115917066.425.1000111.5V99 S100 L101D97-V99 PolarHBondContact O-N 3.44Å; D97-V99 VanDerWaalsContact O-N 3.17Å; D97-V99 PolarHBondContact OD1-N 3.33Å; D97-S100 PolarHBondContact O-N 3.38Å; D97-S100 WeakPolarHBondContact OD1-CB 3.17Å; D97-S100 PolarHBondContact OD1-N 3.13Å; D97-S100 PolarHBondContact OD1-OG 3.43Å; D97-L101 PolarHBondContact O-N 3Å
98E79.2Confident70.3Confident113 Ų11377.3 Ų77.353%0.52844%0.439SS..Hα-helixtrans-58.5-30.2-177.8-67.3-174.316900112.8L80 L102L80-E98 HydrophobicContact CD2-CB 4.35Å; L80-E98 HydrophobicContact CD2-CG 4.32Å; E98-L102 WeakPolarHBondContact O-CB 3.46Å; E98-L102 PolarHBondContact O-N 3.35Å
99V81.9Confident73.3Confident63 Ų6373 Ų7338%0.38240%0.395SS..Hα-helixtrans-69.8-47.7-178.5-179.40000110.2D97 L101 L102 S103 E132D97-V99 PolarHBondContact O-N 3.44Å; D97-V99 VanDerWaalsContact O-N 3.17Å; D97-V99 PolarHBondContact OD1-N 3.33Å; V99-L101 VanDerWaalsContact C-N 3.35Å; V99-L102 PolarHBondContact O-N 3.04Å; V99-S103 PolarHBondContact O-N 2.99Å; V99-S103 VanDerWaalsContact O-N 3.08Å; V99-E132 HydrophobicContact CG1-CG 3.95Å
100S85.2Confident76.4Confident48 Ų4870.8 Ų70.834%0.33637%0.367SS..Hα-helixtrans-65-42.4177.4-54.40000110.1M96 D97 L102 S103 E104M96-S100 WeakPolarHBondContact CE-O 3.15Å; D97-S100 PolarHBondContact O-N 3.38Å; D97-S100 WeakPolarHBondContact OD1-CB 3.17Å; D97-S100 PolarHBondContact OD1-N 3.13Å; D97-S100 PolarHBondContact OD1-OG 3.43Å; S100-L102 VanDerWaalsContact C-N 3.29Å; S100-L102 PolarHBondContact O-N 2.92Å; S100-S103 WeakPolarHBondContact O-CB 3.25Å; S100-S103 PolarHBondContact O-N 3.24Å; S100-S103 VanDerWaalsContact O-N 3.15Å; S100-E104 WeakPolarHBondContact O-CG 3.32Å; S100-E104 PolarHBondContact O-N 3.17Å
101L86.4Confident79Confident39 Ų3968.2 Ų68.220%0.20435%0.345CS..Hα-helixtrans-60.3-40.2178-166.975.2000112.1L64 D97 V99 E104 L105L64-L101 HydrophobicContact CD1-CD1 3.73Å; L64-L101 HydrophobicContact CD1-CD2 4.45Å; L64-L101 HydrophobicContact CD1-CG 3.8Å; D97-L101 PolarHBondContact O-N 3Å; V99-L101 VanDerWaalsContact C-N 3.35Å; L101-E104 PolarHBondContact O-N 3.03Å; L101-L105 WeakPolarHBondContact O-CB 3.32Å; L101-L105 PolarHBondContact O-N 3.26Å
102L88.8Confident81.5Confident16 Ų1663 Ų638%0.08432%0.317CS..Hα-helixtrans-65.4-40.9176.2179.564.8000112E98 V99 S100 L105 V106 N129 E132 M133 L136E98-L102 WeakPolarHBondContact O-CB 3.46Å; E98-L102 PolarHBondContact O-N 3.35Å; V99-L102 PolarHBondContact O-N 3.04Å; S100-L102 VanDerWaalsContact C-N 3.29Å; S100-L102 PolarHBondContact O-N 2.92Å; L102-L105 PolarHBondContact O-N 3.13Å; L102-V106 HydrophobicContact CD1-CG2 4.25Å; L102-V106 WeakPolarHBondContact O-CG2 3.45Å; L102-V106 PolarHBondContact O-N 3.08Å; L102-N129 HydrophobicContact CD2-CB 3.83Å; L102-E132 HydrophobicContact CD2-CB 4.43Å; L102-M133 HydrophobicContact CD1-CG 4.12Å; L102-M133 HydrophobicContact CD1-SD 4.18Å; L102-M133 HydrophobicContact CD2-CG 3.69Å; L102-M133 HydrophobicContact CG-CG 4.24Å; L102-L136 HydrophobicContact CG-CD1 4.19Å
103S90.9Very high83.9Confident30 Ų3058.4 Ų58.421%0.2130%0.295CS..Hα-helixtrans-57.6-51.2174.3-1760000111.3V99 S100 L105 V106 E107 L136V99-S103 PolarHBondContact O-N 2.99Å; V99-S103 VanDerWaalsContact O-N 3.08Å; S100-S103 WeakPolarHBondContact O-CB 3.25Å; S100-S103 PolarHBondContact O-N 3.24Å; S100-S103 VanDerWaalsContact O-N 3.15Å; S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 3.01Å; S103-V106 PolarHBondContact O-N 3.48Å; S103-E107 WeakPolarHBondContact O-CB 3.33Å; S103-E107 PolarHBondContact O-N 3.25Å; S103-L136 WeakPolarHBondContact OG-CD2 3.47Å
104E91.3Very high86Confident44 Ų4455.1 Ų55.121%0.20628%0.278CS..Hα-helixtrans-62.6-37.7-179.8-64.2-56.9164.300112.7S58 G61 M96 S100 L101 A108S58-E104 WeakPolarHBondContact CB-OE2 3.38Å; S58-E104 PolarHBondContact OG-OE2 3.35Å; G61-E104 WeakPolarHBondContact CA-O 3.33Å; M96-E104 HydrophobicContact CE-CG 3.53Å; S100-E104 WeakPolarHBondContact O-CG 3.32Å; S100-E104 PolarHBondContact O-N 3.17Å; L101-E104 PolarHBondContact O-N 3.03Å; E104-A108 VanDerWaalsContact O-CB 3.29Å; E104-A108 WeakPolarHBondContact O-CB 3.34Å; E104-A108 PolarHBondContact O-N 3.27Å
105L92.1Very high87.7Confident0 Ų049.6 Ų49.60%026%0.256CS..Hα-helixtrans-64-50.2175.6179.981.1000111.8L64 L79 L101 L102 S103 E107 A108 A109 L117 L121L64-L105 HydrophobicContact CB-CD1 3.6Å; L64-L105 HydrophobicContact CD1-CB 4Å; L64-L105 HydrophobicContact CD1-CD1 3.96Å; L64-L105 HydrophobicContact CG-CD1 4.39Å; L79-L105 HydrophobicContact CD1-CD1 4.47Å; L79-L105 HydrophobicContact CD1-CD2 3.5Å; L79-L105 HydrophobicContact CD2-CD1 4.07Å; L79-L105 HydrophobicContact CD2-CD2 3.46Å; L79-L105 VanDerWaalsContact CD2-CD2 3.46Å; L79-L105 HydrophobicContact CD2-CG 4.29Å; L79-L105 HydrophobicContact CG-CD2 4.11Å; L101-L105 WeakPolarHBondContact O-CB 3.32Å; L101-L105 PolarHBondContact O-N 3.26Å; L102-L105 PolarHBondContact O-N 3.13Å; S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 3.01Å; L105-E107 VanDerWaalsContact C-N 3.32Å; L105-A108 PolarHBondContact O-N 3.12Å; L105-A109 WeakPolarHBondContact O-CB 3.44Å; L105-A109 PolarHBondContact O-N 3.33Å; L105-L117 HydrophobicContact CD1-CD2 3.94Å; L105-L121 HydrophobicContact CD2-CD1 4.48Å; L105-L121 HydrophobicContact CD2-CD2 3.82Å
106V93.3Very high89.1Confident0 Ų041.6 Ų41.60%022%0.223CC..Hα-helixtrans-65.2-41-176.3175.90000110.1L102 S103 S110 L121 L136 Y140 L142L102-V106 HydrophobicContact CD1-CG2 4.25Å; L102-V106 WeakPolarHBondContact O-CG2 3.45Å; L102-V106 PolarHBondContact O-N 3.08Å; S103-V106 PolarHBondContact O-N 3.48Å; V106-S110 WeakPolarHBondContact O-CB 3.39Å; V106-S110 PolarHBondContact O-N 3.33Å; V106-L121 HydrophobicContact CG2-CD1 3.88Å; V106-L136 HydrophobicContact CB-CB 4.32Å; V106-L136 HydrophobicContact CB-CD1 4.14Å; V106-L136 HydrophobicContact CG1-CB 3.95Å; V106-L136 HydrophobicContact CG2-CD1 3.96Å; V106-Y140 HydrophobicContact CG1-CD2 3.8Å; V106-Y140 HydrophobicContact CG1-CE2 4.37Å; V106-L142 HydrophobicContact CG1-CD1 3.75Å
107E94.1Very high90Very high56 Ų5638.5 Ų38.526%0.26221%0.207SC..Hα-helixtrans-57.3-55.5174.1-176.6169.7169.900111.4S103 L105 A109 S110 F111 Y140S103-E107 WeakPolarHBondContact O-CB 3.33Å; S103-E107 PolarHBondContact O-N 3.25Å; L105-E107 VanDerWaalsContact C-N 3.32Å; E107-A109 PolarHBondContact O-N 3.21Å; E107-S110 PolarHBondContact O-N 3.47Å; E107-F111 WeakPolarHBondContact O-CB 3.35Å; E107-F111 PolarHBondContact O-N 3.36Å; E107-Y140 HydrophobicContact CB-CE1 4.13Å; E107-Y140 HydrophobicContact CB-CE2 4.04Å; E107-Y140 VanDerWaalsContact CB-OH 3.27Å; E107-Y140 WeakPolarHBondContact CB-OH 3.47Å; E107-Y140 VanDerWaalsContact CD-OH 3.22Å; E107-Y140 HydrophobicContact CG-CE1 3.88Å; E107-Y140 VanDerWaalsContact CG-OH 3.23Å; E107-Y140 WeakPolarHBondContact CG-OH 3.3Å; E107-Y140 PolarHBondContact OE2-OH 2.85Å
108A93.4Very high90.6Very high1 Ų135.5 Ų35.51%0.00819%0.191CC..Hα-helixtrans-65-40.1-177.900000112.5L57 V65 E104 L105 L112L57-A108 HydrophobicContact CD2-CB 4.04Å; V65-A108 HydrophobicContact CG2-CB 3.63Å; E104-A108 VanDerWaalsContact O-CB 3.29Å; E104-A108 WeakPolarHBondContact O-CB 3.34Å; E104-A108 PolarHBondContact O-N 3.27Å; L105-A108 PolarHBondContact O-N 3.12Å; A108-L112 VanDerWaalsContact O-CB 3.25Å; A108-L112 WeakPolarHBondContact O-CB 3.48Å; A108-L112 WeakPolarHBondContact O-CG 3.44Å; A108-L112 PolarHBondContact O-N 3.01Å
109A94Very high91.1Very high0 Ų036 Ų360%019%0.194CC..Hα-helixtrans-66.2-38.4177.900000112V65 L105 E107 Q113 V114 L117 L118V65-A109 HydrophobicContact CG2-CB 4.3Å; L105-A109 WeakPolarHBondContact O-CB 3.44Å; L105-A109 PolarHBondContact O-N 3.33Å; E107-A109 PolarHBondContact O-N 3.21Å; A109-Q113 WeakPolarHBondContact O-CA 3.44Å; A109-Q113 PolarHBondContact O-N 2.8Å; A109-Q113 VanDerWaalsContact O-N 3.08Å; A109-V114 PolarHBondContact O-N 3.43Å; A109-L117 HydrophobicContact CB-CD2 3.66Å; A109-L117 HydrophobicContact CB-CG 4.11Å; A109-L118 HydrophobicContact CB-CD2 3.82Å; A109-L118 HydrophobicContact CB-CG 4.28Å
110S94.6Very high91.5Very high28 Ų2834.8 Ų34.820%0.19619%0.185CC..Hα-helixtrans-67.8-50.9175.1-176.30000111.3V106 E107 L112 Q113V106-S110 WeakPolarHBondContact O-CB 3.39Å; V106-S110 PolarHBondContact O-N 3.33Å; E107-S110 PolarHBondContact O-N 3.47Å; S110-L112 PolarHBondContact O-N 2.95Å; S110-Q113 PolarHBondContact O-N 2.89Å
111F93.8Very high91.8Very high84 Ų8432.7 Ų32.737%0.36817%0.17SC..Hα-helixtrans-59.8-47.3179.8-178-87.6000112.3Y29 L57 E107 Q113Y29-F111 HydrophobicContact CE2-CE1 4.44Å; L57-F111 HydrophobicContact CD1-CD1 3.81Å; L57-F111 HydrophobicContact CD1-CE1 4.19Å; L57-F111 HydrophobicContact CD2-CB 3.83Å; L57-F111 HydrophobicContact CD2-CD1 3.88Å; L57-F111 HydrophobicContact CD2-CG 3.84Å; L57-F111 HydrophobicContact CG-CD1 3.93Å; L57-F111 HydrophobicContact CG-CE1 4.27Å; L57-F111 HydrophobicContact CG-CG 4.34Å; E107-F111 WeakPolarHBondContact O-CB 3.35Å; E107-F111 PolarHBondContact O-N 3.36Å; F111-Q113 PolarHBondContact O-N 3.48Å
112L93.4Very high92.1Very high0 Ų033.8 Ų33.80%018%0.175CC..THydrogen-bonded Turntrans-80.50.8178.6-62.4174.1000112.9S27 Y29 F30 L54 L57 L62 V65 A108 S110 V114S27-L112 WeakPolarHBondContact CB-O 3.32Å; S27-L112 PolarHBondContact OG-O 3.21Å; Y29-L112 WeakPolarHBondContact CB-O 3.34Å; Y29-L112 HydrophobicContact CD1-CD2 3.82Å; Y29-L112 HydrophobicContact CE1-CD2 4.13Å; Y29-L112 HydrophobicContact CG-CD2 4.34Å; F30-L112 HydrophobicContact CE2-CD1 4.33Å; F30-L112 HydrophobicContact CE2-CD2 3.83Å; F30-L112 HydrophobicContact CZ-CD2 3.93Å; L54-L112 HydrophobicContact CD1-CD2 4.29Å; L57-L112 HydrophobicContact CD1-CD1 4.03Å; L57-L112 HydrophobicContact CD1-CD2 4.06Å; L57-L112 HydrophobicContact CD1-CG 3.97Å; L62-L112 HydrophobicContact CD1-CD1 3.84Å; V65-L112 HydrophobicContact CB-CD1 4.27Å; V65-L112 HydrophobicContact CG1-CD1 3.8Å; A108-L112 VanDerWaalsContact O-CB 3.25Å; A108-L112 WeakPolarHBondContact O-CB 3.48Å; A108-L112 WeakPolarHBondContact O-CG 3.44Å; A108-L112 PolarHBondContact O-N 3.01Å; S110-L112 PolarHBondContact O-N 2.95Å; L112-V114 VanDerWaalsContact C-N 3.33Å; L112-V114 HydrophobicContact CB-CG2 3.9Å; L112-V114 PolarHBondContact O-N 3.41Å
113Q93.3Very high92.1Very high96 Ų9636.7 Ų36.745%0.44920%0.197SC..THydrogen-bonded Turntrans50.151.1178.1-57.217713.500112.5D28 A109 S110 F111 T115D28-Q113 HydrophobicContact CB-CB 3.88Å; D28-Q113 PolarHBondContact N-O 3.37Å; A109-Q113 WeakPolarHBondContact O-CA 3.44Å; A109-Q113 PolarHBondContact O-N 2.8Å; A109-Q113 VanDerWaalsContact O-N 3.08Å; S110-Q113 PolarHBondContact O-N 2.89Å; F111-Q113 PolarHBondContact O-N 3.48Å; Q113-T115 PolarHBondContact O-N 2.87Å
114V93.8Very high92.1Very high0 Ų036.4 Ų36.40%019%0.192CC..  trans-89.877.9178.4-172.70000109V65 F68 I69 A109 L112 S116 L117 L118V65-V114 HydrophobicContact CG1-CB 4.44Å; V65-V114 HydrophobicContact CG1-CG2 3.61Å; F68-V114 HydrophobicContact CD1-CG1 4.1Å; F68-V114 HydrophobicContact CE1-CG1 3.99Å; I69-V114 HydrophobicContact CD1-CG2 4.31Å; A109-V114 PolarHBondContact O-N 3.43Å; L112-V114 VanDerWaalsContact C-N 3.33Å; L112-V114 HydrophobicContact CB-CG2 3.9Å; L112-V114 PolarHBondContact O-N 3.41Å; V114-S116 VanDerWaalsContact C-N 3.28Å; V114-S116 PolarHBondContact O-N 2.85Å; V114-L117 HydrophobicContact CB-CB 4.13Å; V114-L117 HydrophobicContact CG1-CB 3.63Å; V114-L117 WeakPolarHBondContact O-CB 3.38Å; V114-L117 PolarHBondContact O-N 3Å; V114-L118 PolarHBondContact O-N 2.88Å; V114-L118 VanDerWaalsContact O-N 3.09Å
115T90.4Very high92.1Very high62 Ų6235 Ų3538%0.3819%0.187SC..Hα-helixtrans-57.2-37.4-172-54.20000113.2Q113 L117 L118 Q119Q113-T115 PolarHBondContact O-N 2.87Å; T115-L117 VanDerWaalsContact C-N 3.32Å; T115-L117 PolarHBondContact O-N 3.08Å; T115-L118 PolarHBondContact O-N 3.2Å; T115-Q119 HydrophobicContact CG2-CG 4.42Å; T115-Q119 WeakPolarHBondContact O-CB 3.31Å; T115-Q119 VanDerWaalsContact O-CG 3.27Å; T115-Q119 WeakPolarHBondContact O-CG 3.29Å; T115-Q119 PolarHBondContact O-N 3.33Å
116S90.4Very high92.1Very high35 Ų3539.5 Ų39.525%0.24520%0.204CC..Hα-helixtrans-64-35.5177.350.60000112.8Q26 F68 V114 L120Q26-S116 PolarHBondContact OE1-OG 3.11Å; F68-S116 WeakPolarHBondContact CE1-OG 3.29Å; V114-S116 VanDerWaalsContact C-N 3.28Å; V114-S116 PolarHBondContact O-N 2.85Å; S116-L120 PolarHBondContact O-N 3.09Å
117L90.4Very high92.1Very high0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-72.3-43.5174.9-179.757000111.1V65 F68 L79 L105 A109 V114 T115 Q119 L120 L121V65-L117 HydrophobicContact CG2-CD2 3.92Å; F68-L117 HydrophobicContact CD1-CB 3.94Å; F68-L117 HydrophobicContact CD1-CD1 4.35Å; F68-L117 HydrophobicContact CD1-CD2 4.36Å; F68-L117 HydrophobicContact CD1-CG 4.45Å; F68-L117 HydrophobicContact CD2-CD1 3.89Å; F68-L117 HydrophobicContact CE1-CB 3.7Å; F68-L117 HydrophobicContact CE2-CD1 4.08Å; F68-L117 HydrophobicContact CG-CB 4.47Å; F68-L117 HydrophobicContact CG-CD1 4.02Å; F68-L117 HydrophobicContact CG-CD2 4.45Å; F68-L117 HydrophobicContact CZ-CB 4.03Å; F68-L117 HydrophobicContact CZ-CD1 4.37Å; L79-L117 HydrophobicContact CD1-CD1 4.22Å; L105-L117 HydrophobicContact CD1-CD2 3.94Å; A109-L117 HydrophobicContact CB-CD2 3.66Å; A109-L117 HydrophobicContact CB-CG 4.11Å; V114-L117 HydrophobicContact CB-CB 4.13Å; V114-L117 HydrophobicContact CG1-CB 3.63Å; V114-L117 WeakPolarHBondContact O-CB 3.38Å; V114-L117 PolarHBondContact O-N 3Å; T115-L117 VanDerWaalsContact C-N 3.32Å; T115-L117 PolarHBondContact O-N 3.08Å; L117-Q119 VanDerWaalsContact C-N 3.29Å; L117-Q119 PolarHBondContact O-N 3.35Å; L117-L120 HydrophobicContact CD1-CD2 4.35Å; L117-L120 WeakPolarHBondContact O-CB 3.39Å; L117-L120 PolarHBondContact O-N 3.11Å; L117-L120 VanDerWaalsContact O-N 3.12Å; L117-L121 WeakPolarHBondContact O-CG 3.16Å; L117-L121 PolarHBondContact O-N 2.83Å
118L91.3Very high91.9Very high31 Ų3143.7 Ų43.716%0.16223%0.228CC..Hα-helixtrans-61.1-38.7174.9-64.7174.6000111.7A109 V114 T115 L121 L142A109-L118 HydrophobicContact CB-CD2 3.82Å; A109-L118 HydrophobicContact CB-CG 4.28Å; V114-L118 PolarHBondContact O-N 2.88Å; V114-L118 VanDerWaalsContact O-N 3.09Å; T115-L118 PolarHBondContact O-N 3.2Å; L118-L121 HydrophobicContact CD2-CD1 4.28Å; L118-L121 WeakPolarHBondContact O-CB 3.43Å; L118-L121 PolarHBondContact O-N 3.23Å; L118-L142 HydrophobicContact CD1-CD2 4.13Å; L118-L142 HydrophobicContact CD2-CD1 4.04Å
119Q90.8Very high91.8Very high123 Ų12344 Ų4458%0.57523%0.23SC*.Hα-helixtrans-65.1-40.1172.5-76.8176.8-14.700112.2T115 L117 L121 L122T115-Q119 HydrophobicContact CG2-CG 4.42Å; T115-Q119 WeakPolarHBondContact O-CB 3.31Å; T115-Q119 VanDerWaalsContact O-CG 3.27Å; T115-Q119 WeakPolarHBondContact O-CG 3.29Å; T115-Q119 PolarHBondContact O-N 3.33Å; L117-Q119 VanDerWaalsContact C-N 3.29Å; L117-Q119 PolarHBondContact O-N 3.35Å; Q119-L121 VanDerWaalsContact C-N 3.27Å; Q119-L121 PolarHBondContact O-N 2.69Å; Q119-L122 VanDerWaalsContact O-CB 3.31Å; Q119-L122 WeakPolarHBondContact O-CB 3.32Å; Q119-L122 WeakPolarHBondContact O-CG 2.97Å; Q119-L122 PolarHBondContact O-N 3.11Å
120L89.8Confident91.8Very high38 Ų3844 Ų4420%0.19923%0.23CC..Hα-helixtrans-58.8-41.9174.8-176.868.5000110.7F68 S116 L117 L122 S123 Q124F68-L120 HydrophobicContact CE2-CD2 3.93Å; S116-L120 PolarHBondContact O-N 3.09Å; L117-L120 HydrophobicContact CD1-CD2 4.35Å; L117-L120 WeakPolarHBondContact O-CB 3.39Å; L117-L120 PolarHBondContact O-N 3.11Å; L117-L120 VanDerWaalsContact O-N 3.12Å; L120-L122 PolarHBondContact O-N 2.89Å; L120-S123 WeakPolarHBondContact O-CB 3.48Å; L120-S123 PolarHBondContact O-N 2.67Å; L120-S123 PolarHBondContact O-OG 3.23Å; L120-Q124 HydrophobicContact CG-CG 4.42Å; L120-Q124 WeakPolarHBondContact O-CG 3.44Å; L120-Q124 PolarHBondContact O-N 3.16Å
121L91.1Very high91.7Very high3 Ų343 Ų432%0.01622%0.222CC..Hα-helixtrans-58.9-30.5179.7-67.5174.3000113.5L79 L105 V106 L117 L118 Q119 S123 Q124 L145L79-L121 HydrophobicContact CD1-CD2 4.34Å; L105-L121 HydrophobicContact CD2-CD1 4.48Å; L105-L121 HydrophobicContact CD2-CD2 3.82Å; V106-L121 HydrophobicContact CG2-CD1 3.88Å; L117-L121 WeakPolarHBondContact O-CG 3.16Å; L117-L121 PolarHBondContact O-N 2.83Å; L118-L121 HydrophobicContact CD2-CD1 4.28Å; L118-L121 WeakPolarHBondContact O-CB 3.43Å; L118-L121 PolarHBondContact O-N 3.23Å; Q119-L121 VanDerWaalsContact C-N 3.27Å; Q119-L121 PolarHBondContact O-N 2.69Å; L121-S123 PolarHBondContact O-N 3.06Å; L121-Q124 PolarHBondContact O-N 2.98Å; L121-L145 HydrophobicContact CB-CD1 4.17Å
122L92.8Very high91.6Very high62 Ų6240.7 Ų40.733%0.32521%0.212SC..Hα-helixtrans-57.1-36.8174.3-53179.6000111.9Q119 L120 Q124 D144 L145 A148Q119-L122 VanDerWaalsContact O-CB 3.31Å; Q119-L122 WeakPolarHBondContact O-CB 3.32Å; Q119-L122 WeakPolarHBondContact O-CG 2.97Å; Q119-L122 PolarHBondContact O-N 3.11Å; L120-L122 PolarHBondContact O-N 2.89Å; L122-Q124 VanDerWaalsContact C-N 3.32Å; L122-D144 HydrophobicContact CD1-CB 4.42Å; L122-D144 HydrophobicContact CD2-CB 4.21Å; L122-L145 VanDerWaalsContact CD2-CA 3.41Å; L122-L145 HydrophobicContact CD2-CB 3.91Å; L122-L145 HydrophobicContact CD2-CD1 3.95Å; L122-A148 HydrophobicContact CB-CB 4.48Å; L122-A148 HydrophobicContact CD2-CB 3.96Å
123S89.5Confident91.5Very high77 Ų7740.7 Ų40.754%0.53821%0.212SC..THydrogen-bonded Turntrans-81.5-10.9178.2740000113.8L120 L121L120-S123 WeakPolarHBondContact O-CB 3.48Å; L120-S123 PolarHBondContact O-N 2.67Å; L120-S123 PolarHBondContact O-OG 3.23Å; L121-S123 PolarHBondContact O-N 3.06Å
124Q89.7Confident91.6Very high24 Ų2436.4 Ų36.411%0.11219%0.192CC..THydrogen-bonded Turntrans-103.38.2-173.2-59.5-55.9-57.300113L120 L121 L122 R126 N129L120-Q124 HydrophobicContact CG-CG 4.42Å; L120-Q124 WeakPolarHBondContact O-CG 3.44Å; L120-Q124 PolarHBondContact O-N 3.16Å; L121-Q124 PolarHBondContact O-N 2.98Å; L122-Q124 VanDerWaalsContact C-N 3.32Å; Q124-R126 PolarHBondContact O-N 2.6Å; Q124-R126 PolarHBondContact O-NH1 3.08Å; Q124-R126 VanDerWaalsContact OE1-CZ 3.27Å; Q124-N129 PolarHBondContact O-ND2 3.11Å
125V92.2Very high91.5Very high16 Ų1643 Ų4310%0.09722%0.217CC..  trans-65122173.4-1700000110.4C130 M133 L145 A148 F152V125-C130 HydrophobicContact CG1-CB 3.71Å; V125-M133 HydrophobicContact CB-CE 3.84Å; V125-M133 HydrophobicContact CG1-CE 4.02Å; V125-M133 HydrophobicContact CG2-CE 3.59Å; V125-L145 HydrophobicContact CG2-CD1 4.43Å; V125-A148 HydrophobicContact CG2-CB 4.32Å; V125-F152 HydrophobicContact CB-CB 4.43Å; V125-F152 HydrophobicContact CB-CD2 4.39Å; V125-F152 HydrophobicContact CB-CG 4.36Å; V125-F152 HydrophobicContact CG1-CB 3.59Å; V125-F152 HydrophobicContact CG1-CD1 3.88Å; V125-F152 HydrophobicContact CG1-CD2 4.02Å; V125-F152 HydrophobicContact CG1-CG 3.54Å; V125-F152 WeakPolarHBondContact O-CE2 3.47Å
126R92.6Very high91.6Very high93 Ų9340.4 Ų40.435%0.35120%0.201SC..  trans-140.2165.4-175.6-67.3-179.7-17890.4-1109.8Q124 N128 N129 C130 F152Q124-R126 PolarHBondContact O-N 2.6Å; Q124-R126 PolarHBondContact O-NH1 3.08Å; Q124-R126 VanDerWaalsContact OE1-CZ 3.27Å; R126-N128 VanDerWaalsContact CB-OD1 3.3Å; R126-N128 WeakPolarHBondContact CB-OD1 3.21Å; R126-N128 PolarHBondContact O-N 2.82Å; R126-N129 WeakPolarHBondContact CA-OD1 3.11Å; R126-N129 PolarHBondContact N-OD1 3.23Å; R126-N129 PolarHBondContact O-N 2.91Å; R126-N129 PolarHBondContact O-OD1 3.32Å; R126-C130 WeakPolarHBondContact O-CB 3.27Å; R126-C130 PolarHBondContact O-N 3.31Å; R126-C130 PolarHBondContact O-SG 3.2Å; R126-F152 VanDerWaalsContact C-CE1 3.48Å
127L91.9Very high91.8Very high54 Ų5438.8 Ų38.828%0.28319%0.189SC..THydrogen-bonded Turntrans-56.6-33.2178.6-77.3167.6000114.1F152 H156 E159 V160L127-F152 HydrophobicContact CD2-CE1 4.11Å; L127-F152 HydrophobicContact CG-CE1 4.14Å; L127-F152 HydrophobicContact CG-CZ 4.12Å; L127-H156 HydrophobicContact CD2-CB 3.72Å; L127-E159 WeakPolarHBondContact CD1-OE1 3.32Å; L127-E159 HydrophobicContact CD2-CB 3.78Å; L127-V160 HydrophobicContact CD2-CG2 4.27Å
128N89.9Confident91.8Very high90 Ų9043.2 Ų43.248%0.48121%0.21SC..THydrogen-bonded Turntrans-79.7-22.4-177.865.9-23.3000113.9R126R126-N128 VanDerWaalsContact CB-OD1 3.3Å; R126-N128 WeakPolarHBondContact CB-OD1 3.21Å; R126-N128 PolarHBondContact O-N 2.82Å
129N91.4Very high91.9Very high8 Ų846.5 Ų46.54%0.04323%0.231CC..THydrogen-bonded Turntrans-121.9-12.1-172.5687000114.5L102 Q124 R126 L131 E132 M133L102-N129 HydrophobicContact CD2-CB 3.83Å; Q124-N129 PolarHBondContact O-ND2 3.11Å; R126-N129 WeakPolarHBondContact CA-OD1 3.11Å; R126-N129 PolarHBondContact N-OD1 3.23Å; R126-N129 PolarHBondContact O-N 2.91Å; R126-N129 PolarHBondContact O-OD1 3.32Å; N129-L131 VanDerWaalsContact C-N 3.3Å; N129-L131 PolarHBondContact O-N 3.4Å; N129-E132 PolarHBondContact O-N 2.88Å; N129-M133 HydrophobicContact CB-CE 4.26Å; N129-M133 WeakPolarHBondContact O-CB 3.48Å; N129-M133 WeakPolarHBondContact O-CG 3.4Å; N129-M133 PolarHBondContact O-N 3.23Å; N129-M133 WeakPolarHBondContact OD1-CE 3.44Å
130C94Very high92Very high1 Ų143.8 Ų43.81%0.00722%0.216CC..Hα-helixtrans-57.8-37.4-17459.80000114.2V125 R126 Y134 F152 M153V125-C130 HydrophobicContact CG1-CB 3.71Å; R126-C130 WeakPolarHBondContact O-CB 3.27Å; R126-C130 PolarHBondContact O-N 3.31Å; R126-C130 PolarHBondContact O-SG 3.2Å; C130-Y134 VanDerWaalsContact O-CB 3.27Å; C130-Y134 WeakPolarHBondContact O-CB 3.44Å; C130-Y134 PolarHBondContact O-N 2.95Å; C130-F152 HydrophobicContact CB-CD1 3.77Å; C130-F152 HydrophobicContact CB-CE1 4.18Å; C130-M153 HydrophobicContact CB-CG 4.43Å
131L92.9Very high92.1Very high6 Ų644.6 Ų44.63%0.03123%0.234CC..Hα-helixtrans-69.2-45.7179.6-66.7-178.6000112.1N129 Y134 R135 M153 V160 K163 Q165 F166 L169N129-L131 VanDerWaalsContact C-N 3.3Å; N129-L131 PolarHBondContact O-N 3.4Å; L131-Y134 PolarHBondContact O-N 3.41Å; L131-R135 PolarHBondContact O-N 3.22Å; L131-R135 VanDerWaalsContact O-N 3.1Å; L131-M153 HydrophobicContact CD2-SD 3.63Å; L131-V160 HydrophobicContact CD2-CG1 3.81Å; L131-K163 HydrophobicContact CD1-CB 3.83Å; L131-K163 HydrophobicContact CD1-CG 4.3Å; L131-Q165 HydrophobicContact CD1-CB 3.78Å; L131-F166 HydrophobicContact CD1-CB 4.09Å; L131-F166 HydrophobicContact CD2-CB 4.45Å; L131-F166 HydrophobicContact CD2-CD2 3.79Å; L131-L169 HydrophobicContact CB-CD1 3.78Å; L131-L169 HydrophobicContact CD2-CD1 3.73Å; L131-L169 HydrophobicContact CG-CD1 4.23Å
132E91.3Very high92.3Very high35 Ų3545.6 Ų45.616%0.16424%0.239CC..Hα-helixtrans-70.8-41.1179-169.958.4-15100111V99 L102 N129 Y134 R135 L136V99-E132 HydrophobicContact CG1-CG 3.95Å; L102-E132 HydrophobicContact CD2-CB 4.43Å; N129-E132 PolarHBondContact O-N 2.88Å; E132-Y134 VanDerWaalsContact C-N 3.29Å; E132-Y134 PolarHBondContact O-N 3.25Å; E132-R135 WeakPolarHBondContact O-CB 3.46Å; E132-R135 PolarHBondContact O-N 3.42Å; E132-R135 VanDerWaalsContact O-N 3.12Å; E132-L136 HydrophobicContact CG-CD1 3.95Å; E132-L136 HydrophobicContact CG-CG 4.31Å; E132-L136 VanDerWaalsContact O-CG 3.31Å; E132-L136 WeakPolarHBondContact O-CG 3.27Å; E132-L136 PolarHBondContact O-N 3.1Å
133M92.9Very high92.4Very high0 Ų046.8 Ų46.80%025%0.25CS..Hα-helixtrans-62.2-37.1174.2-71.6-159.5-66.100112.7L102 V125 N129 R135 A137 L145 C149L102-M133 HydrophobicContact CD1-CG 4.12Å; L102-M133 HydrophobicContact CD1-SD 4.18Å; L102-M133 HydrophobicContact CD2-CG 3.69Å; L102-M133 HydrophobicContact CG-CG 4.24Å; V125-M133 HydrophobicContact CB-CE 3.84Å; V125-M133 HydrophobicContact CG1-CE 4.02Å; V125-M133 HydrophobicContact CG2-CE 3.59Å; N129-M133 HydrophobicContact CB-CE 4.26Å; N129-M133 WeakPolarHBondContact O-CB 3.48Å; N129-M133 WeakPolarHBondContact O-CG 3.4Å; N129-M133 PolarHBondContact O-N 3.23Å; N129-M133 WeakPolarHBondContact OD1-CE 3.44Å; M133-R135 VanDerWaalsContact C-N 3.34Å; M133-A137 WeakPolarHBondContact O-CB 3.49Å; M133-A137 PolarHBondContact O-N 3.39Å; M133-L145 HydrophobicContact SD-CD1 4.36Å; M133-C149 VanDerWaalsContact CB-SG 3.6Å
134Y93.9Very high92.7Very high7 Ų748.7 Ų48.73%0.02726%0.255CS..Hα-helixtrans-60.6-45.3173.1177.1-101.8000111.4C130 L131 E132 A137 Q138 Q146 C149 L150 M153 L169 L181C130-Y134 VanDerWaalsContact O-CB 3.27Å; C130-Y134 WeakPolarHBondContact O-CB 3.44Å; C130-Y134 PolarHBondContact O-N 2.95Å; L131-Y134 PolarHBondContact O-N 3.41Å; E132-Y134 VanDerWaalsContact C-N 3.29Å; E132-Y134 PolarHBondContact O-N 3.25Å; Y134-A137 PolarHBondContact O-N 3.04Å; Y134-Q138 VanDerWaalsContact CE1-CD 3.5Å; Y134-Q138 HydrophobicContact CE1-CG 4.37Å; Y134-Q138 VanDerWaalsContact CE1-OE1 3.32Å; Y134-Q138 WeakPolarHBondContact O-CG 3.17Å; Y134-Q138 PolarHBondContact O-N 2.97Å; Y134-Q138 VanDerWaalsContact O-N 3.08Å; Y134-Q138 PolarHBondContact OH-NE2 3.43Å; Y134-Q146 HydrophobicContact CD2-CG 3.75Å; Y134-Q146 HydrophobicContact CE2-CG 3.44Å; Y134-Q146 VanDerWaalsContact CE2-CG 3.44Å; Y134-C149 HydrophobicContact CD2-CB 4.17Å; Y134-L150 HydrophobicContact CD2-CD2 4.19Å; Y134-L150 HydrophobicContact CD2-CG 4.14Å; Y134-L150 HydrophobicContact CE2-CD1 4.17Å; Y134-L150 HydrophobicContact CE2-CD2 3.54Å; Y134-L150 HydrophobicContact CE2-CG 3.67Å; Y134-M153 HydrophobicContact CD1-CE 4.46Å; Y134-M153 HydrophobicContact CD2-CE 3.81Å; Y134-M153 HydrophobicContact CE2-CE 4.35Å; Y134-M153 HydrophobicContact CG-CE 3.87Å; Y134-L169 HydrophobicContact CD1-CD2 4.48Å; Y134-L181 HydrophobicContact CD1-CD2 4.49Å; Y134-L181 HydrophobicContact CE1-CD1 4.46Å; Y134-L181 HydrophobicContact CE1-CD2 3.97Å
135R92.2Very high92.9Very high139 Ų13947.9 Ų47.953%0.52525%0.251SS..Hα-helixtrans-61.9-50177.4-168.9-170.7-161.8167.23.9111.9L131 E132 M133 A137 Q138 V139 L169L131-R135 PolarHBondContact O-N 3.22Å; L131-R135 VanDerWaalsContact O-N 3.1Å; E132-R135 WeakPolarHBondContact O-CB 3.46Å; E132-R135 PolarHBondContact O-N 3.42Å; E132-R135 VanDerWaalsContact O-N 3.12Å; M133-R135 VanDerWaalsContact C-N 3.34Å; R135-A137 VanDerWaalsContact C-N 3.3Å; R135-A137 PolarHBondContact O-N 3.12Å; R135-Q138 WeakPolarHBondContact O-CB 3.5Å; R135-Q138 PolarHBondContact O-N 2.89Å; R135-Q138 VanDerWaalsContact O-N 3.11Å; R135-V139 WeakPolarHBondContact O-CG2 3.38Å; R135-V139 PolarHBondContact O-N 2.92Å; R135-L169 HydrophobicContact CB-CD2 4.12Å; R135-L169 HydrophobicContact CG-CD2 4.27Å
136L92.8Very high93.1Very high7 Ų749.6 Ų49.64%0.03726%0.258CS..Hα-helixtrans-62.2-39.9178.8-66166.5000110.9L102 S103 V106 E132 Q138 V139 Y140L102-L136 HydrophobicContact CG-CD1 4.19Å; S103-L136 WeakPolarHBondContact OG-CD2 3.47Å; V106-L136 HydrophobicContact CB-CB 4.32Å; V106-L136 HydrophobicContact CB-CD1 4.14Å; V106-L136 HydrophobicContact CG1-CB 3.95Å; V106-L136 HydrophobicContact CG2-CD1 3.96Å; E132-L136 HydrophobicContact CG-CD1 3.95Å; E132-L136 HydrophobicContact CG-CG 4.31Å; E132-L136 VanDerWaalsContact O-CG 3.31Å; E132-L136 WeakPolarHBondContact O-CG 3.27Å; E132-L136 PolarHBondContact O-N 3.1Å; L136-Q138 VanDerWaalsContact C-N 3.27Å; L136-Q138 PolarHBondContact O-N 3.13Å; L136-V139 PolarHBondContact O-N 3.15Å; L136-Y140 HydrophobicContact CB-CD2 4.29Å; L136-Y140 HydrophobicContact CD2-CD2 4.47Å; L136-Y140 HydrophobicContact CD2-CE2 3.88Å; L136-Y140 WeakPolarHBondContact O-CB 3.45Å; L136-Y140 VanDerWaalsContact O-CD2 3.23Å; L136-Y140 WeakPolarHBondContact O-CD2 3.38Å; L136-Y140 PolarHBondContact O-N 3.32Å
137A94.1Very high93.2Very high0 Ų049.6 Ų49.60%026%0.262CS..Hα-helixtrans-61-35.9174.900000112.5M133 Y134 R135 G141 L142 L145 Q146M133-A137 WeakPolarHBondContact O-CB 3.49Å; M133-A137 PolarHBondContact O-N 3.39Å; Y134-A137 PolarHBondContact O-N 3.04Å; R135-A137 VanDerWaalsContact C-N 3.3Å; R135-A137 PolarHBondContact O-N 3.12Å; A137-G141 WeakPolarHBondContact O-CA 3.35Å; A137-G141 PolarHBondContact O-N 3.03Å; A137-L142 HydrophobicContact CB-CB 4.14Å; A137-L142 PolarHBondContact O-N 2.98Å; A137-L145 HydrophobicContact CB-CB 4.06Å; A137-L145 HydrophobicContact CB-CD2 4.13Å; A137-L145 HydrophobicContact CB-CG 4.02Å; A137-Q146 HydrophobicContact CB-CB 3.93Å
138Q91.2Very high93.4Very high94 Ų9447.6 Ų47.644%0.43925%0.253SS..Hα-helixtrans-68.4-45.5172.8-70.4179.3-54.500112.2Y134 R135 L136 G141Y134-Q138 VanDerWaalsContact CE1-CD 3.5Å; Y134-Q138 HydrophobicContact CE1-CG 4.37Å; Y134-Q138 VanDerWaalsContact CE1-OE1 3.32Å; Y134-Q138 WeakPolarHBondContact O-CG 3.17Å; Y134-Q138 PolarHBondContact O-N 2.97Å; Y134-Q138 VanDerWaalsContact O-N 3.08Å; Y134-Q138 PolarHBondContact OH-NE2 3.43Å; R135-Q138 WeakPolarHBondContact O-CB 3.5Å; R135-Q138 PolarHBondContact O-N 2.89Å; R135-Q138 VanDerWaalsContact O-N 3.11Å; L136-Q138 VanDerWaalsContact C-N 3.27Å; L136-Q138 PolarHBondContact O-N 3.13Å; Q138-G141 PolarHBondContact O-N 3.41Å
139V92.2Very high93.6Very high100 Ų10043.3 Ų43.361%0.60623%0.23SC*.Hα-helixtrans-62.5-44.4-178.8171.50000111.2R135 L136R135-V139 WeakPolarHBondContact O-CG2 3.38Å; R135-V139 PolarHBondContact O-N 2.92Å; L136-V139 PolarHBondContact O-N 3.15Å
140Y93.1Very high93.8Very high65 Ų6543.6 Ų43.626%0.25523%0.232SC..THydrogen-bonded Turntrans-93.42.7-176.3-64.9-64.4000114.2V106 E107 L136V106-Y140 HydrophobicContact CG1-CD2 3.8Å; V106-Y140 HydrophobicContact CG1-CE2 4.37Å; E107-Y140 HydrophobicContact CB-CE1 4.13Å; E107-Y140 HydrophobicContact CB-CE2 4.04Å; E107-Y140 VanDerWaalsContact CB-OH 3.27Å; E107-Y140 WeakPolarHBondContact CB-OH 3.47Å; E107-Y140 VanDerWaalsContact CD-OH 3.22Å; E107-Y140 HydrophobicContact CG-CE1 3.88Å; E107-Y140 VanDerWaalsContact CG-OH 3.23Å; E107-Y140 WeakPolarHBondContact CG-OH 3.3Å; E107-Y140 PolarHBondContact OE2-OH 2.85Å; L136-Y140 HydrophobicContact CB-CD2 4.29Å; L136-Y140 HydrophobicContact CD2-CD2 4.47Å; L136-Y140 HydrophobicContact CD2-CE2 3.88Å; L136-Y140 WeakPolarHBondContact O-CB 3.45Å; L136-Y140 VanDerWaalsContact O-CD2 3.23Å; L136-Y140 WeakPolarHBondContact O-CD2 3.38Å; L136-Y140 PolarHBondContact O-N 3.32Å
141G93.4Very high93.9Very high56 Ų5650.2 Ų50.258%0.57726%0.257SS*.THydrogen-bonded Turntrans63.946.2177.500000113.8A137 Q138 P143A137-G141 WeakPolarHBondContact O-CA 3.35Å; A137-G141 PolarHBondContact O-N 3.03Å; Q138-G141 PolarHBondContact O-N 3.41Å; G141-P143 WeakPolarHBondContact O-CD 3.27Å
142L95.1Very high94Very high24 Ų2451.9 Ų51.913%0.12626%0.264CS..  trans-104.384.1-177.7-57.5174.2000110.9V106 L118 A137 D144 L145 Q146V106-L142 HydrophobicContact CG1-CD1 3.75Å; L118-L142 HydrophobicContact CD1-CD2 4.13Å; L118-L142 HydrophobicContact CD2-CD1 4.04Å; A137-L142 HydrophobicContact CB-CB 4.14Å; A137-L142 PolarHBondContact O-N 2.98Å; L142-D144 PolarHBondContact O-N 3.28Å; L142-L145 HydrophobicContact CB-CB 4.14Å; L142-L145 HydrophobicContact CD1-CD2 4.15Å; L142-L145 PolarHBondContact O-N 3.49Å; L142-Q146 WeakPolarHBondContact O-CB 3.38Å; L142-Q146 PolarHBondContact O-N 2.92Å
143P94.4Very high94.3Very high86 Ų8650.2 Ų50.256%0.55826%0.256SS*.Hα-helixtrans-63.9-38.9-17125.1-35.3000113.5G141 L145 Q146 E147G141-P143 WeakPolarHBondContact O-CD 3.27Å; P143-L145 VanDerWaalsContact C-N 3.34Å; P143-L145 PolarHBondContact O-N 2.89Å; P143-Q146 WeakPolarHBondContact O-CB 3.43Å; P143-Q146 PolarHBondContact O-N 2.98Å; P143-E147 WeakPolarHBondContact O-CB 3.48Å; P143-E147 PolarHBondContact O-N 3.37Å
144D95.1Very high94.4Very high118 Ų11851.4 Ų51.463%0.63126%0.263SS*.Hα-helixtrans-64.7-40.2-179.3-63.3-30.6000111.8L122 L142 A148L122-D144 HydrophobicContact CD1-CB 4.42Å; L122-D144 HydrophobicContact CD2-CB 4.21Å; L142-D144 PolarHBondContact O-N 3.28Å; D144-A148 WeakPolarHBondContact O-CB 3.21Å; D144-A148 PolarHBondContact O-N 3.45Å
145L94.9Very high94.5Very high7 Ų753.3 Ų53.34%0.03728%0.275CS..Hα-helixtrans-70.9-39.5176.6-177.261.6000111.1L121 L122 V125 M133 A137 L142 P143 E147 A148 C149L121-L145 HydrophobicContact CB-CD1 4.17Å; L122-L145 VanDerWaalsContact CD2-CA 3.41Å; L122-L145 HydrophobicContact CD2-CB 3.91Å; L122-L145 HydrophobicContact CD2-CD1 3.95Å; V125-L145 HydrophobicContact CG2-CD1 4.43Å; M133-L145 HydrophobicContact SD-CD1 4.36Å; A137-L145 HydrophobicContact CB-CB 4.06Å; A137-L145 HydrophobicContact CB-CD2 4.13Å; A137-L145 HydrophobicContact CB-CG 4.02Å; L142-L145 HydrophobicContact CB-CB 4.14Å; L142-L145 HydrophobicContact CD1-CD2 4.15Å; L142-L145 PolarHBondContact O-N 3.49Å; P143-L145 VanDerWaalsContact C-N 3.34Å; P143-L145 PolarHBondContact O-N 2.89Å; L145-E147 VanDerWaalsContact C-N 3.34Å; L145-E147 PolarHBondContact O-N 3.33Å; L145-A148 PolarHBondContact O-N 3.48Å; L145-C149 WeakPolarHBondContact O-CB 3.43Å; L145-C149 PolarHBondContact O-N 2.86Å; L145-C149 PolarHBondContact O-SG 3.31Å
146Q94.8Very high94.7Very high51 Ų5148.3 Ų48.324%0.23826%0.258CS..Hα-helixtrans-58.7-47.3174.5-169.4-176.118.600110.9Y134 A137 L142 P143 C149 L150Y134-Q146 HydrophobicContact CD2-CG 3.75Å; Y134-Q146 HydrophobicContact CE2-CG 3.44Å; Y134-Q146 VanDerWaalsContact CE2-CG 3.44Å; A137-Q146 HydrophobicContact CB-CB 3.93Å; L142-Q146 WeakPolarHBondContact O-CB 3.38Å; L142-Q146 PolarHBondContact O-N 2.92Å; P143-Q146 WeakPolarHBondContact O-CB 3.43Å; P143-Q146 PolarHBondContact O-N 2.98Å; Q146-C149 PolarHBondContact O-N 2.98Å; Q146-L150 WeakPolarHBondContact O-CG 3.32Å; Q146-L150 PolarHBondContact O-N 3.29Å
147E95Very high94.8Very high93 Ų9348 Ų4844%0.43526%0.256SS..Hα-helixtrans-67.4-39.5179-175.555.6-148.900112.2P143 L145 C149 L150 R151P143-E147 WeakPolarHBondContact O-CB 3.48Å; P143-E147 PolarHBondContact O-N 3.37Å; L145-E147 VanDerWaalsContact C-N 3.34Å; L145-E147 PolarHBondContact O-N 3.33Å; E147-C149 VanDerWaalsContact C-N 3.33Å; E147-C149 PolarHBondContact O-N 3.37Å; E147-L150 PolarHBondContact O-N 3.19Å; E147-R151 WeakPolarHBondContact O-CB 3.3Å; E147-R151 WeakPolarHBondContact O-CG 3.37Å; E147-R151 PolarHBondContact O-N 3.22Å; E147-R151 WeakPolarHBondContact OE1-CG 3.32Å
148A95.9Very high94.8Very high12 Ų1248.5 Ų48.510%0.09926%0.258CS..Hα-helixtrans-59.8-43.1172.600000111.8L122 V125 D144 L145 F152L122-A148 HydrophobicContact CB-CB 4.48Å; L122-A148 HydrophobicContact CD2-CB 3.96Å; V125-A148 HydrophobicContact CG2-CB 4.32Å; D144-A148 WeakPolarHBondContact O-CB 3.21Å; D144-A148 PolarHBondContact O-N 3.45Å; L145-A148 PolarHBondContact O-N 3.48Å; A148-F152 WeakPolarHBondContact O-CB 3.45Å; A148-F152 PolarHBondContact O-N 3.38Å
149C96Very high95Very high0 Ų046.9 Ų46.90%025%0.251CS..Hα-helixtrans-65.2-43175.8-64.60000112M133 Y134 L145 Q146 E147 F152 M153M133-C149 VanDerWaalsContact CB-SG 3.6Å; Y134-C149 HydrophobicContact CD2-CB 4.17Å; L145-C149 WeakPolarHBondContact O-CB 3.43Å; L145-C149 PolarHBondContact O-N 2.86Å; L145-C149 PolarHBondContact O-SG 3.31Å; Q146-C149 PolarHBondContact O-N 2.98Å; E147-C149 VanDerWaalsContact C-N 3.33Å; E147-C149 PolarHBondContact O-N 3.37Å; C149-F152 PolarHBondContact O-N 3.04Å; C149-M153 HydrophobicContact CB-CE 4.38Å; C149-M153 WeakPolarHBondContact O-CB 3.49Å; C149-M153 WeakPolarHBondContact O-CE 3.44Å; C149-M153 VanDerWaalsContact O-CG 3.28Å; C149-M153 WeakPolarHBondContact O-CG 3.28Å; C149-M153 PolarHBondContact O-N 3.28Å
150L95.1Very high95.1Very high14 Ų1442.1 Ų42.17%0.07322%0.222CC..Hα-helixtrans-59.7-50.4176.1-73.8172.9000111.4Y134 Q146 E147 F152 M153 V154 L181 L185Y134-L150 HydrophobicContact CD2-CD2 4.19Å; Y134-L150 HydrophobicContact CD2-CG 4.14Å; Y134-L150 HydrophobicContact CE2-CD1 4.17Å; Y134-L150 HydrophobicContact CE2-CD2 3.54Å; Y134-L150 HydrophobicContact CE2-CG 3.67Å; Q146-L150 WeakPolarHBondContact O-CG 3.32Å; Q146-L150 PolarHBondContact O-N 3.29Å; E147-L150 PolarHBondContact O-N 3.19Å; L150-F152 VanDerWaalsContact C-N 3.31Å; L150-F152 PolarHBondContact O-N 2.61Å; L150-M153 HydrophobicContact CD2-CE 3.85Å; L150-M153 HydrophobicContact CG-CE 4.43Å; L150-M153 PolarHBondContact O-N 2.86Å; L150-M153 VanDerWaalsContact O-N 3.17Å; L150-V154 WeakPolarHBondContact O-CG2 3.42Å; L150-V154 PolarHBondContact O-N 3.47Å; L150-L181 HydrophobicContact CD2-CD1 3.67Å; L150-L185 HydrophobicContact CD2-CD2 4.02Å
151R94.9Very high95Very high140 Ų14039.2 Ų39.253%0.52821%0.211SC..Hα-helixtrans-57.6-44.3177.2-74.1-175-69.6-175.6-3.2112E147 V154 V155E147-R151 WeakPolarHBondContact O-CB 3.3Å; E147-R151 WeakPolarHBondContact O-CG 3.37Å; E147-R151 PolarHBondContact O-N 3.22Å; E147-R151 WeakPolarHBondContact OE1-CG 3.32Å; R151-V154 PolarHBondContact O-N 2.93Å; R151-V155 WeakPolarHBondContact O-CG2 3.29Å; R151-V155 PolarHBondContact O-N 2.98Å; R151-V155 VanDerWaalsContact O-N 3.16Å
152F96.4Very high95Very high42 Ų4238.4 Ų38.418%0.18420%0.196CC..Hα-helixtrans-60.8-47.2175.7-174.1-87.8000112V125 R126 L127 C130 A148 C149 L150 V154 V155 H156V125-F152 HydrophobicContact CB-CB 4.43Å; V125-F152 HydrophobicContact CB-CD2 4.39Å; V125-F152 HydrophobicContact CB-CG 4.36Å; V125-F152 HydrophobicContact CG1-CB 3.59Å; V125-F152 HydrophobicContact CG1-CD1 3.88Å; V125-F152 HydrophobicContact CG1-CD2 4.02Å; V125-F152 HydrophobicContact CG1-CG 3.54Å; V125-F152 WeakPolarHBondContact O-CE2 3.47Å; R126-F152 VanDerWaalsContact C-CE1 3.48Å; L127-F152 HydrophobicContact CD2-CE1 4.11Å; L127-F152 HydrophobicContact CG-CE1 4.14Å; L127-F152 HydrophobicContact CG-CZ 4.12Å; C130-F152 HydrophobicContact CB-CD1 3.77Å; C130-F152 HydrophobicContact CB-CE1 4.18Å; A148-F152 WeakPolarHBondContact O-CB 3.45Å; A148-F152 PolarHBondContact O-N 3.38Å; C149-F152 PolarHBondContact O-N 3.04Å; L150-F152 VanDerWaalsContact C-N 3.31Å; L150-F152 PolarHBondContact O-N 2.61Å; F152-V154 VanDerWaalsContact C-N 3.32Å; F152-V154 PolarHBondContact O-N 2.77Å; F152-V155 PolarHBondContact O-N 3.5Å; F152-H156 AromaticContact CD2-CD2 3.96Å; F152-H156 HydrophobicContact CE1-CB 4.25Å; F152-H156 AromaticContact CE1-CD2 3.67Å; F152-H156 AromaticContact CE2-CD2 3.56Å; F152-H156 AromaticContact CE2-NE2 3.72Å; F152-H156 AromaticContact CZ-CD2 3.39Å; F152-H156 WeakPolarHBondContact CZ-CD2 3.46Å; F152-H156 AromaticContact CZ-NE2 3.77Å; F152-H156 PolarHBondContact O-CD2 3.44Å; F152-H156 PolarHBondContact O-N 3.08Å
153M96.3Very high94.8Very high0 Ų041.4 Ų41.40%021%0.208CC..Hα-helixtrans-64.8-33.7178.5-72.3-173.6-72.200112.9C130 L131 Y134 C149 L150 V155 H156 F157 V160 L185C130-M153 HydrophobicContact CB-CG 4.43Å; L131-M153 HydrophobicContact CD2-SD 3.63Å; Y134-M153 HydrophobicContact CD1-CE 4.46Å; Y134-M153 HydrophobicContact CD2-CE 3.81Å; Y134-M153 HydrophobicContact CE2-CE 4.35Å; Y134-M153 HydrophobicContact CG-CE 3.87Å; C149-M153 HydrophobicContact CB-CE 4.38Å; C149-M153 WeakPolarHBondContact O-CB 3.49Å; C149-M153 WeakPolarHBondContact O-CE 3.44Å; C149-M153 VanDerWaalsContact O-CG 3.28Å; C149-M153 WeakPolarHBondContact O-CG 3.28Å; C149-M153 PolarHBondContact O-N 3.28Å; L150-M153 HydrophobicContact CD2-CE 3.85Å; L150-M153 HydrophobicContact CG-CE 4.43Å; L150-M153 PolarHBondContact O-N 2.86Å; L150-M153 VanDerWaalsContact O-N 3.17Å; M153-V155 VanDerWaalsContact C-N 3.34Å; M153-H156 CarbonylContact O-C 3.53Å; M153-F157 WeakPolarHBondContact O-CA 3.31Å; M153-F157 WeakPolarHBondContact O-CB 3.34Å; M153-F157 PolarHBondContact O-N 3.13Å; M153-V160 HydrophobicContact CB-CG2 4.47Å; M153-V160 HydrophobicContact CG-CG1 4.14Å; M153-V160 HydrophobicContact CG-CG2 4.16Å; M153-V160 HydrophobicContact SD-CG1 4.22Å; M153-L185 HydrophobicContact CB-CD1 4.04Å; M153-L185 HydrophobicContact CB-CD2 3.99Å; M153-L185 HydrophobicContact SD-CD1 4.43Å
154V96.1Very high94.4Very high25 Ų2542.1 Ų42.115%0.15221%0.213CC..Hα-helixtrans-61.8-45.1173.3168.80000110.1L150 R151 F152 L185 A188 R189L150-V154 WeakPolarHBondContact O-CG2 3.42Å; L150-V154 PolarHBondContact O-N 3.47Å; R151-V154 PolarHBondContact O-N 2.93Å; F152-V154 VanDerWaalsContact C-N 3.32Å; F152-V154 PolarHBondContact O-N 2.77Å; V154-L185 HydrophobicContact CG2-CD2 3.57Å; V154-A188 HydrophobicContact CG1-CB 4.11Å; V154-A188 HydrophobicContact CG2-CB 3.57Å; V154-R189 HydrophobicContact CG1-CG 3.69Å; V154-R189 WeakPolarHBondContact O-CD 3.49Å; V154-R189 WeakPolarHBondContact O-CG 3.41Å; V154-R189 PolarHBondContact O-NH1 3.36Å
155V95.9Very high94Very high46 Ų4641 Ų4128%0.27920%0.204SC..Hα-helixtrans-67.4-42.4-179.8174.80000111.5R151 F152 M153 R189 Y254 N275 T278R151-V155 WeakPolarHBondContact O-CG2 3.29Å; R151-V155 PolarHBondContact O-N 2.98Å; R151-V155 VanDerWaalsContact O-N 3.16Å; F152-V155 PolarHBondContact O-N 3.5Å; M153-V155 VanDerWaalsContact C-N 3.34Å; V155-R189 PolarHBondContact O-NH1 3.16Å; V155-Y254 PolarHBondContact O-OH 2.68Å; V155-N275 PolarHBondContact O-ND2 2.87Å; V155-T278 HydrophobicContact CG1-CG2 3.37Å
156H95.8Very high93.6Very high34 Ų3441 Ų4116%0.15720%0.204CC..THydrogen-bonded Turntrans-100.929.2-177.8-67.1-80.2000114.2L127 F152 M153 H158 E159 V160L127-H156 HydrophobicContact CD2-CB 3.72Å; F152-H156 AromaticContact CD2-CD2 3.96Å; F152-H156 HydrophobicContact CE1-CB 4.25Å; F152-H156 AromaticContact CE1-CD2 3.67Å; F152-H156 AromaticContact CE2-CD2 3.56Å; F152-H156 AromaticContact CE2-NE2 3.72Å; F152-H156 AromaticContact CZ-CD2 3.39Å; F152-H156 WeakPolarHBondContact CZ-CD2 3.46Å; F152-H156 AromaticContact CZ-NE2 3.77Å; F152-H156 PolarHBondContact O-CD2 3.44Å; F152-H156 PolarHBondContact O-N 3.08Å; M153-H156 CarbonylContact O-C 3.53Å; H156-H158 PolarHBondContact O-N 3.46Å; H156-E159 IonicContact CE1-OE2 2.71Å; H156-E159 IonicContact CG-OE2 3.39Å; H156-E159 IonicContact ND1-OE2 3.47Å; H156-E159 PolarHBondContact ND1-OE2 2.98Å; H156-E159 PolarHBondContact O-N 3.26Å; H156-E159 VanDerWaalsContact O-N 3.17Å; H156-V160 HydrophobicContact CB-CG2 4.3Å; H156-V160 WeakPolarHBondContact O-CG2 3.42Å; H156-V160 PolarHBondContact O-N 3.2Å
157F95.6Very high93Very high1 Ų142.8 Ų42.80%0.00421%0.212CC..Hα-helixtrans-54.6-44.6-167.1178.1-107.2000114.5M153 V160 L161 K182 L185 R186 D252 Y254M153-F157 WeakPolarHBondContact O-CA 3.31Å; M153-F157 WeakPolarHBondContact O-CB 3.34Å; M153-F157 PolarHBondContact O-N 3.13Å; F157-V160 PolarHBondContact O-N 3.37Å; F157-L161 HydrophobicContact CE1-CD2 4.2Å; F157-L161 HydrophobicContact CZ-CD1 4.48Å; F157-L161 HydrophobicContact CZ-CD2 4.35Å; F157-L161 VanDerWaalsContact O-CB 3.23Å; F157-L161 WeakPolarHBondContact O-CB 3.5Å; F157-L161 PolarHBondContact O-N 3.22Å; F157-K182 HydrophobicContact CZ-CG 4.27Å; F157-L185 HydrophobicContact CD2-CB 3.72Å; F157-L185 HydrophobicContact CD2-CD1 4.17Å; F157-L185 HydrophobicContact CE2-CB 3.74Å; F157-L185 HydrophobicContact CE2-CD1 4.28Å; F157-R186 HydrophobicContact CE1-CG 3.73Å; F157-R186 HydrophobicContact CE2-CG 4.02Å; F157-R186 HydrophobicContact CZ-CG 3.33Å; F157-D252 HydrophobicContact CD1-CB 4.24Å; F157-D252 HydrophobicContact CE1-CB 4.01Å; F157-Y254 HydrophobicContact CB-CE2 4.31Å; F157-Y254 HydrophobicContact CD1-CE2 4.25Å; F157-Y254 PolarHBondContact N-OH 2.89Å
158H94Very high92.3Very high10 Ų1045.2 Ų45.25%0.04623%0.227CC..Hα-helixtrans-62.4-46.1-179.1-17047.2000112.2H156 V160 L161 C162 Y254 V284 Y317H156-H158 PolarHBondContact O-N 3.46Å; H158-V160 VanDerWaalsContact C-N 3.34Å; H158-V160 PolarHBondContact O-N 2.93Å; H158-L161 WeakPolarHBondContact O-CB 3.41Å; H158-L161 PolarHBondContact O-N 3.02Å; H158-C162 PolarHBondContact O-N 2.65Å; H158-C162 PolarHBondContact O-SG 2.93Å; H158-Y254 HydrophobicContact CB-CE1 4.14Å; H158-Y254 HydrophobicContact CB-CE2 4.03Å; H158-Y254 PolarHBondContact N-OH 3.31Å; H158-V284 WeakPolarHBondContact NE2-CG1 3.15Å; H158-Y317 AromaticContact CE1-CE1 3.93Å; H158-Y317 AromaticContact CE1-CZ 3.97Å; H158-Y317 PolarHBondContact CE1-OH 2.93Å; H158-Y317 PolarHBondContact NE2-OH 3.16Å
159E94.6Very high91.3Very high60 Ų6046.4 Ų46.428%0.2823%0.231SC..Hα-helixtrans-66.6-37179.9-60.7174.98800112L127 H156 L282L127-E159 WeakPolarHBondContact CD1-OE1 3.32Å; L127-E159 HydrophobicContact CD2-CB 3.78Å; H156-E159 IonicContact CE1-OE2 2.71Å; H156-E159 IonicContact CG-OE2 3.39Å; H156-E159 IonicContact ND1-OE2 3.47Å; H156-E159 PolarHBondContact ND1-OE2 2.98Å; H156-E159 PolarHBondContact O-N 3.26Å; H156-E159 VanDerWaalsContact O-N 3.17Å; E159-L282 HydrophobicContact CG-CD1 4.34Å
160V94.6Very high89.7Confident1 Ų148.3 Ų48.31%0.00625%0.251CS..Hα-helixtrans-67.5-40.2175.2172.60000111L127 L131 M153 H156 F157 H158 C162 K163 F166L127-V160 HydrophobicContact CD2-CG2 4.27Å; L131-V160 HydrophobicContact CD2-CG1 3.81Å; M153-V160 HydrophobicContact CB-CG2 4.47Å; M153-V160 HydrophobicContact CG-CG1 4.14Å; M153-V160 HydrophobicContact CG-CG2 4.16Å; M153-V160 HydrophobicContact SD-CG1 4.22Å; H156-V160 HydrophobicContact CB-CG2 4.3Å; H156-V160 WeakPolarHBondContact O-CG2 3.42Å; H156-V160 PolarHBondContact O-N 3.2Å; F157-V160 PolarHBondContact O-N 3.37Å; H158-V160 VanDerWaalsContact C-N 3.34Å; H158-V160 PolarHBondContact O-N 2.93Å; V160-C162 PolarHBondContact O-N 3.29Å; V160-K163 VanDerWaalsContact O-CB 3.32Å; V160-K163 WeakPolarHBondContact O-CB 3.38Å; V160-K163 PolarHBondContact O-N 3.42Å; V160-F166 HydrophobicContact CG1-CD2 3.64Å; V160-F166 HydrophobicContact CG1-CE2 4.02Å; V160-F166 HydrophobicContact CG1-CG 4.19Å; V160-F166 WeakPolarHBondContact O-CB 3Å
161L92.2Very high87.8Confident3 Ų350.9 Ų50.92%0.01627%0.27CS..Hα-helixtrans-62.5-31.3179.7-174.765.9000112.4F157 H158 K163 F166 K182 P319 E320F157-L161 HydrophobicContact CE1-CD2 4.2Å; F157-L161 HydrophobicContact CZ-CD1 4.48Å; F157-L161 HydrophobicContact CZ-CD2 4.35Å; F157-L161 VanDerWaalsContact O-CB 3.23Å; F157-L161 WeakPolarHBondContact O-CB 3.5Å; F157-L161 PolarHBondContact O-N 3.22Å; H158-L161 WeakPolarHBondContact O-CB 3.41Å; H158-L161 PolarHBondContact O-N 3.02Å; L161-K163 PolarHBondContact O-N 2.98Å; L161-F166 HydrophobicContact CD1-CD1 3.91Å; L161-F166 HydrophobicContact CD1-CE1 3.67Å; L161-K182 HydrophobicContact CD1-CD 4.14Å; L161-K182 HydrophobicContact CD1-CG 4.43Å; L161-P319 HydrophobicContact CD2-CB 3.79Å; L161-E320 HydrophobicContact CD1-CG 3.83Å; L161-E320 HydrophobicContact CD2-CG 4.09Å; L161-E320 HydrophobicContact CG-CG 3.79Å
162C92.1Very high86.1Confident40 Ų4049.2 Ų49.227%0.2728%0.277SS..THydrogen-bonded Turntrans-72.7-10175.7-600000113.8H158 V160 P319H158-C162 PolarHBondContact O-N 2.65Å; H158-C162 PolarHBondContact O-SG 2.93Å; V160-C162 PolarHBondContact O-N 3.29Å; C162-P319 PolarHBondContact SG-O 2.59Å
163K90.6Very high84.4Confident87 Ų8750.8 Ų50.838%0.37829%0.291SS..  trans-81126.7-177.2-62.4-67.4-176.2178.80110.3L131 V160 L161 Q165 F166L131-K163 HydrophobicContact CD1-CB 3.83Å; L131-K163 HydrophobicContact CD1-CG 4.3Å; V160-K163 VanDerWaalsContact O-CB 3.32Å; V160-K163 WeakPolarHBondContact O-CB 3.38Å; V160-K163 PolarHBondContact O-N 3.42Å; L161-K163 PolarHBondContact O-N 2.98Å; K163-Q165 PolarHBondContact O-N 2.92Å; K163-Q165 VanDerWaalsContact O-N 3.11Å; K163-F166 HydrophobicContact CB-CB 4.47Å; K163-F166 VanDerWaalsContact O-CB 3.27Å; K163-F166 WeakPolarHBondContact O-CB 3.43Å; K163-F166 PolarHBondContact O-N 2.95Å
164P86.7Confident82.6Confident100 Ų10059.2 Ų59.265%0.64933%0.331SS*.Hα-helixtrans-55.2-35.6176.8-27.434.9000113.8F166 H167P164-F166 PolarHBondContact O-N 3.45Å; P164-H167 PolarHBondContact O-N 3.28Å
165Q86.4Confident80.7Confident96 Ų9660.6 Ų60.645%0.44935%0.345SS..Hα-helixtrans-61.9-29.4178.4-64.5169.90.900112.8L131 K163 H167 L168 L169L131-Q165 HydrophobicContact CD1-CB 3.78Å; K163-Q165 PolarHBondContact O-N 2.92Å; K163-Q165 VanDerWaalsContact O-N 3.11Å; Q165-H167 VanDerWaalsContact C-N 3.29Å; Q165-H167 PolarHBondContact O-N 2.94Å; Q165-L168 WeakPolarHBondContact O-CB 3.4Å; Q165-L168 PolarHBondContact O-N 3.45Å; Q165-L168 VanDerWaalsContact O-N 3.13Å; Q165-L169 PolarHBondContact O-N 3.33Å
166F87.5Confident78.5Confident7 Ų765.1 Ų65.13%0.03138%0.376CS..Hα-helixtrans-64.4-36.4178.8-176.2-106.5000111.5L131 V160 L161 K163 P164 L168 L169 G170 L181 K182 L185L131-F166 HydrophobicContact CD1-CB 4.09Å; L131-F166 HydrophobicContact CD2-CB 4.45Å; L131-F166 HydrophobicContact CD2-CD2 3.79Å; V160-F166 HydrophobicContact CG1-CD2 3.64Å; V160-F166 HydrophobicContact CG1-CE2 4.02Å; V160-F166 HydrophobicContact CG1-CG 4.19Å; V160-F166 WeakPolarHBondContact O-CB 3Å; L161-F166 HydrophobicContact CD1-CD1 3.91Å; L161-F166 HydrophobicContact CD1-CE1 3.67Å; K163-F166 HydrophobicContact CB-CB 4.47Å; K163-F166 VanDerWaalsContact O-CB 3.27Å; K163-F166 WeakPolarHBondContact O-CB 3.43Å; K163-F166 PolarHBondContact O-N 2.95Å; P164-F166 PolarHBondContact O-N 3.45Å; F166-L168 PolarHBondContact O-N 2.88Å; F166-L169 PolarHBondContact O-N 3.48Å; F166-G170 PolarHBondContact O-N 3.32Å; F166-L181 HydrophobicContact CE2-CD2 3.95Å; F166-L181 HydrophobicContact CE2-CG 4.22Å; F166-K182 HydrophobicContact CE1-CB 4.04Å; F166-K182 HydrophobicContact CE1-CG 4.24Å; F166-K182 HydrophobicContact CZ-CB 4.1Å; F166-L185 HydrophobicContact CE2-CD1 3.71Å; F166-L185 HydrophobicContact CZ-CD1 3.85Å
167H81.4Confident76.8Confident88 Ų8867.1 Ų67.141%0.40741%0.405SS..Hα-helixtrans-66.3-27.5175.8-57.7-62.3000112.9P164 Q165 E320P164-H167 PolarHBondContact O-N 3.28Å; Q165-H167 VanDerWaalsContact C-N 3.29Å; Q165-H167 PolarHBondContact O-N 2.94Å; H167-E320 IonicContact CE1-OE1 3.13Å; H167-E320 IonicContact CE1-OE2 2.93Å
168L79.6Confident75.3Confident144 Ų14471.2 Ų71.275%0.75443%0.427SS*.Hα-helixtrans-76.2-30.4177-59.1175.5000112.3Q165 F166Q165-L168 WeakPolarHBondContact O-CB 3.4Å; Q165-L168 PolarHBondContact O-N 3.45Å; Q165-L168 VanDerWaalsContact O-N 3.13Å; F166-L168 PolarHBondContact O-N 2.88Å
169L74.9Confident74.3Confident37 Ų3773.3 Ų73.319%0.19444%0.44CS..Hα-helixtrans-75.9-26.8176.3-74.8160.6000112.4L131 Y134 R135 Q165 F166 S171 L181L131-L169 HydrophobicContact CB-CD1 3.78Å; L131-L169 HydrophobicContact CD2-CD1 3.73Å; L131-L169 HydrophobicContact CG-CD1 4.23Å; Y134-L169 HydrophobicContact CD1-CD2 4.48Å; R135-L169 HydrophobicContact CB-CD2 4.12Å; R135-L169 HydrophobicContact CG-CD2 4.27Å; Q165-L169 PolarHBondContact O-N 3.33Å; F166-L169 PolarHBondContact O-N 3.48Å; L169-S171 PolarHBondContact O-N 3.04Å; L169-L181 HydrophobicContact CB-CD2 4.39Å
170G62.3Low73.9Confident39 Ų3972.6 Ų72.640%0.40244%0.442SS..  trans-72.168.1173.800000112.7F166F166-G170 PolarHBondContact O-N 3.32Å
171S57Low73.6Confident68 Ų6873.3 Ų73.348%0.47645%0.446SS..PPolyproline II helixtrans-60.4141.2167.1-60.70000109.5L169L169-S171 PolarHBondContact O-N 3.04Å
172P58.2Low73.5Confident106 Ų10675.6 Ų75.669%0.68846%0.456SS*.PPolyproline II helixtrans-57.8146.7169.924.4-31.4000109.3Q174P172-Q174 PolarHBondContact O-N 2.93Å; P172-Q174 VanDerWaalsContact O-N 3.11Å
173P60.3Low73.5Confident74 Ų7477 Ų7748%0.48146%0.459SS..PPolyproline II helixtrans-55120.7-176.521.3-31.8000110.3A175 D178P173-A175 VanDerWaalsContact C-N 3.28Å; P173-D178 HydrophobicContact CB-CB 3.8Å; P173-D178 WeakPolarHBondContact CB-O 3.34Å
174Q58.4Low73.5Confident177 Ų17778 Ų7883%0.82746%0.46SS*.SBendtrans-79.7-15.9-175.3-63.7-149.2-3.100112.5P172P172-Q174 PolarHBondContact O-N 2.93Å; P172-Q174 VanDerWaalsContact O-N 3.11Å
175A57.5Low73.8Confident55 Ų5573.3 Ų73.346%0.45543%0.429SS..SBendtrans-132.4148.9176.900000111.4P173 G177 D178P173-A175 VanDerWaalsContact C-N 3.28Å; A175-G177 PolarHBondContact O-N 2.87Å; A175-G177 VanDerWaalsContact O-N 3.16Å; A175-D178 WeakPolarHBondContact O-CB 3.46Å; A175-D178 PolarHBondContact O-N 3.17Å
176P49.2Very low74.2Confident141 Ų14171 Ų7192%0.91642%0.417SS*.THydrogen-bonded Turntrans-61.6117.7171.924.8-31.7000110
177G60Low74.4Confident76 Ų7675.2 Ų75.278%0.78444%0.436SS*.THydrogen-bonded Turntrans106.9-9.9-176.100000114.5A175A175-G177 PolarHBondContact O-N 2.87Å; A175-G177 VanDerWaalsContact O-N 3.16Å
178D63.5Low75Confident87 Ų8772.7 Ų72.747%0.46543%0.43SS..PPolyproline II helixtrans-72.9129.2173.5-162.811.5000110P173 A175P173-D178 HydrophobicContact CB-CB 3.8Å; P173-D178 WeakPolarHBondContact CB-O 3.34Å; A175-D178 WeakPolarHBondContact O-CB 3.46Å; A175-D178 PolarHBondContact O-N 3.17Å
179V74.4Confident75.7Confident53 Ų5366.2 Ų66.232%0.32140%0.396SS..PPolyproline II helixtrans-99.9124.6-177.5-1790000107.3L181 Q183 R184V179-L181 PolarHBondContact O-N 3.14Å; V179-Q183 HydrophobicContact CG1-CB 3.51Å; V179-Q183 HydrophobicContact CG1-CG 3.42Å; V179-Q183 VanDerWaalsContact CG1-CG 3.42Å; V179-R184 HydrophobicContact CB-CG 3.91Å; V179-R184 HydrophobicContact CG1-CG 3.83Å; V179-R184 WeakPolarHBondContact O-CD 3.42Å
180S85.9Confident76.6Confident46 Ų4668.3 Ų68.332%0.32241%0.406SS..PPolyproline II helixtrans-50.4144.7178.370.80000111.1K182 Q183 R184S180-K182 PolarHBondContact O-N 3.11Å; S180-K182 VanDerWaalsContact O-N 3.13Å; S180-Q183 PolarHBondContact O-N 3.46Å; S180-Q183 WeakPolarHBondContact OG-CB 3.16Å; S180-Q183 PolarHBondContact OG-N 3.48Å; S180-R184 PolarHBondContact O-N 3.1Å
181L88.6Confident78Confident16 Ų1671.3 Ų71.38%0.08442%0.417CS..Hα-helixtrans-49.9-42.8178.117762000111.7Y134 L150 F166 L169 V179 Q183 R184 L185Y134-L181 HydrophobicContact CD1-CD2 4.49Å; Y134-L181 HydrophobicContact CE1-CD1 4.46Å; Y134-L181 HydrophobicContact CE1-CD2 3.97Å; L150-L181 HydrophobicContact CD2-CD1 3.67Å; F166-L181 HydrophobicContact CE2-CD2 3.95Å; F166-L181 HydrophobicContact CE2-CG 4.22Å; L169-L181 HydrophobicContact CB-CD2 4.39Å; V179-L181 PolarHBondContact O-N 3.14Å; L181-Q183 PolarHBondContact O-N 3.29Å; L181-R184 PolarHBondContact O-N 3.17Å; L181-L185 HydrophobicContact CD1-CD1 4.27Å; L181-L185 HydrophobicContact CD1-CD2 4.49Å; L181-L185 HydrophobicContact CD1-CG 4.14Å; L181-L185 HydrophobicContact CG-CD1 4.15Å; L181-L185 HydrophobicContact CG-CG 4.42Å; L181-L185 VanDerWaalsContact O-CG 3.32Å; L181-L185 WeakPolarHBondContact O-CG 3.39Å; L181-L185 PolarHBondContact O-N 3.21Å
182K90Very high79.5Confident51 Ų5168.9 Ų68.922%0.22240%0.402CS..Hα-helixtrans-55.2-49.2175.8-177.6-179.9177.6-178.80112.3F157 L161 F166 S180 L185 R186 E320F157-K182 HydrophobicContact CZ-CG 4.27Å; L161-K182 HydrophobicContact CD1-CD 4.14Å; L161-K182 HydrophobicContact CD1-CG 4.43Å; F166-K182 HydrophobicContact CE1-CB 4.04Å; F166-K182 HydrophobicContact CE1-CG 4.24Å; F166-K182 HydrophobicContact CZ-CB 4.1Å; S180-K182 PolarHBondContact O-N 3.11Å; S180-K182 VanDerWaalsContact O-N 3.13Å; K182-L185 PolarHBondContact O-N 3.27Å; K182-R186 VanDerWaalsContact O-CG 3.29Å; K182-R186 WeakPolarHBondContact O-CG 3.46Å; K182-R186 PolarHBondContact O-N 3.26Å; K182-R186 VanDerWaalsContact O-N 3.08Å; K182-E320 IonicContact NZ-OE1 3.8Å; K182-E320 PolarHBondContact NZ-OE1 2.47Å
183Q90.4Very high81.1Confident70 Ų7067.2 Ų67.233%0.32739%0.39SS..Hα-helixtrans-68-39.7-179-179.163.324.300111.5V179 S180 L181 L185 R186 E187V179-Q183 HydrophobicContact CG1-CB 3.51Å; V179-Q183 HydrophobicContact CG1-CG 3.42Å; V179-Q183 VanDerWaalsContact CG1-CG 3.42Å; S180-Q183 PolarHBondContact O-N 3.46Å; S180-Q183 WeakPolarHBondContact OG-CB 3.16Å; S180-Q183 PolarHBondContact OG-N 3.48Å; L181-Q183 PolarHBondContact O-N 3.29Å; Q183-L185 PolarHBondContact O-N 3.4Å; Q183-R186 PolarHBondContact O-N 3.25Å; Q183-E187 WeakPolarHBondContact CG-OE1 3.23Å; Q183-E187 PolarHBondContact NE2-OE1 3.43Å; Q183-E187 WeakPolarHBondContact O-CG 3.45Å; Q183-E187 PolarHBondContact O-N 3.23Å
184R91.4Very high82.7Confident106 Ų10665.8 Ų65.840%0.438%0.381SS..Hα-helixtrans-58-46.3173.6-71.2175.253.2-174.4-3.5112.6V179 S180 L181 R186 E187 A188V179-R184 HydrophobicContact CB-CG 3.91Å; V179-R184 HydrophobicContact CG1-CG 3.83Å; V179-R184 WeakPolarHBondContact O-CD 3.42Å; S180-R184 PolarHBondContact O-N 3.1Å; L181-R184 PolarHBondContact O-N 3.17Å; R184-R186 VanDerWaalsContact C-N 3.34Å; R184-E187 PolarHBondContact O-N 2.97Å; R184-A188 WeakPolarHBondContact O-CB 3.08Å; R184-A188 PolarHBondContact O-N 2.96Å
185L93.9Very high84.4Confident3 Ų358.1 Ų58.12%0.01635%0.346CS..Hα-helixtrans-64.5-39.5178.4-66.8175.6000111.6L150 M153 V154 F157 F166 L181 K182 Q183 A188 R189L150-L185 HydrophobicContact CD2-CD2 4.02Å; M153-L185 HydrophobicContact CB-CD1 4.04Å; M153-L185 HydrophobicContact CB-CD2 3.99Å; M153-L185 HydrophobicContact SD-CD1 4.43Å; V154-L185 HydrophobicContact CG2-CD2 3.57Å; F157-L185 HydrophobicContact CD2-CB 3.72Å; F157-L185 HydrophobicContact CD2-CD1 4.17Å; F157-L185 HydrophobicContact CE2-CB 3.74Å; F157-L185 HydrophobicContact CE2-CD1 4.28Å; F166-L185 HydrophobicContact CE2-CD1 3.71Å; F166-L185 HydrophobicContact CZ-CD1 3.85Å; L181-L185 HydrophobicContact CD1-CD1 4.27Å; L181-L185 HydrophobicContact CD1-CD2 4.49Å; L181-L185 HydrophobicContact CD1-CG 4.14Å; L181-L185 HydrophobicContact CG-CD1 4.15Å; L181-L185 HydrophobicContact CG-CG 4.42Å; L181-L185 VanDerWaalsContact O-CG 3.32Å; L181-L185 WeakPolarHBondContact O-CG 3.39Å; L181-L185 PolarHBondContact O-N 3.21Å; K182-L185 PolarHBondContact O-N 3.27Å; Q183-L185 PolarHBondContact O-N 3.4Å; L185-A188 PolarHBondContact O-N 3.48Å; L185-R189 WeakPolarHBondContact O-CG 3.41Å; L185-R189 PolarHBondContact O-N 3.03Å
186R93Very high86.2Confident47 Ų4755.5 Ų55.518%0.17733%0.325CS..Hα-helixtrans-62.9-46.9175.7-70.9173.28017516.7112F157 K182 Q183 R184 A188 R189 M190 D252 S301F157-R186 HydrophobicContact CE1-CG 3.73Å; F157-R186 HydrophobicContact CE2-CG 4.02Å; F157-R186 HydrophobicContact CZ-CG 3.33Å; K182-R186 VanDerWaalsContact O-CG 3.29Å; K182-R186 WeakPolarHBondContact O-CG 3.46Å; K182-R186 PolarHBondContact O-N 3.26Å; K182-R186 VanDerWaalsContact O-N 3.08Å; Q183-R186 PolarHBondContact O-N 3.25Å; R184-R186 VanDerWaalsContact C-N 3.34Å; R186-A188 VanDerWaalsContact C-N 3.32Å; R186-A188 PolarHBondContact O-N 3.02Å; R186-R189 WeakPolarHBondContact O-CB 3.45Å; R186-R189 PolarHBondContact O-N 2.67Å; R186-M190 WeakPolarHBondContact O-CG 3.42Å; R186-D252 IonicContact CZ-OD1 2.89Å; R186-D252 IonicContact CZ-OD2 3.73Å; R186-D252 IonicContact NE-OD1 2.98Å; R186-D252 PolarHBondContact NE-OD1 3.17Å; R186-D252 IonicContact NE-OD2 4Å; R186-D252 IonicContact NH2-OD1 2.67Å; R186-D252 PolarHBondContact NH2-OD1 3.2Å; R186-D252 IonicContact NH2-OD2 3.65Å; R186-S301 VanDerWaalsContact CZ-OG 3.28Å; R186-S301 PolarHBondContact NH1-OG 3.41Å; R186-S301 PolarHBondContact NH2-OG 2.89Å
187E93.3Very high88.3Confident96 Ų9649 Ų4945%0.44928%0.282SS..Hα-helixtrans-61.1-43177.5-73.5167.9-17200111.2Q183 R184 R189 M190Q183-E187 WeakPolarHBondContact CG-OE1 3.23Å; Q183-E187 PolarHBondContact NE2-OE1 3.43Å; Q183-E187 WeakPolarHBondContact O-CG 3.45Å; Q183-E187 PolarHBondContact O-N 3.23Å; R184-E187 PolarHBondContact O-N 2.97Å; E187-R189 VanDerWaalsContact C-N 3.25Å; E187-R189 PolarHBondContact O-N 2.74Å; E187-M190 WeakPolarHBondContact O-CB 3.42Å; E187-M190 PolarHBondContact O-N 3.42Å
188A93.4Very high89.8Confident34 Ų3445.3 Ų45.328%0.28125%0.245SC..Hα-helixtrans-59.3-34.617700000112.8V154 R184 L185 R186 M190 T191V154-A188 HydrophobicContact CG1-CB 4.11Å; V154-A188 HydrophobicContact CG2-CB 3.57Å; R184-A188 WeakPolarHBondContact O-CB 3.08Å; R184-A188 PolarHBondContact O-N 2.96Å; L185-A188 PolarHBondContact O-N 3.48Å; R186-A188 VanDerWaalsContact C-N 3.32Å; R186-A188 PolarHBondContact O-N 3.02Å; A188-M190 PolarHBondContact O-N 3.34Å; A188-T191 WeakPolarHBondContact O-CB 3.4Å; A188-T191 WeakPolarHBondContact O-CG2 3.46Å; A188-T191 PolarHBondContact O-N 3Å; A188-T191 PolarHBondContact O-OG1 2.81Å
189R94.1Very high91.1Very high8 Ų841.6 Ų41.63%0.0322%0.224CC..Hα-helixtrans-66.3-17.9175.4-71.2-174.762.672.23114V154 V155 L185 R186 E187 D252 N253 Y254 N275 S277V154-R189 HydrophobicContact CG1-CG 3.69Å; V154-R189 WeakPolarHBondContact O-CD 3.49Å; V154-R189 WeakPolarHBondContact O-CG 3.41Å; V154-R189 PolarHBondContact O-NH1 3.36Å; V155-R189 PolarHBondContact O-NH1 3.16Å; L185-R189 WeakPolarHBondContact O-CG 3.41Å; L185-R189 PolarHBondContact O-N 3.03Å; R186-R189 WeakPolarHBondContact O-CB 3.45Å; R186-R189 PolarHBondContact O-N 2.67Å; E187-R189 VanDerWaalsContact C-N 3.25Å; E187-R189 PolarHBondContact O-N 2.74Å; R189-D252 PolarHBondContact NE-O 3.23Å; R189-N253 HydrophobicContact CB-CB 4.31Å; R189-N253 PolarHBondContact O-ND2 3.19Å; R189-Y254 VanDerWaalsContact CZ-CZ 3.44Å; R189-Y254 VanDerWaalsContact NE-CE2 3.28Å; R189-Y254 PolarHBondContact NH1-OH 3.26Å; R189-N275 PolarHBondContact NH1-OD1 2.72Å; R189-N275 PolarHBondContact NH2-OD1 2.86Å; R189-S277 PolarHBondContact NH1-OG 2.87Å
190M93.1Very high91.6Very high81 Ų8139.2 Ų39.240%0.39921%0.211SC..THydrogen-bonded Turntrans-97.18.8-179.6-53.3-61-7600112.7R186 E187 A188 N253 Y498R186-M190 WeakPolarHBondContact O-CG 3.42Å; E187-M190 WeakPolarHBondContact O-CB 3.42Å; E187-M190 PolarHBondContact O-N 3.42Å; A188-M190 PolarHBondContact O-N 3.34Å; M190-N253 HydrophobicContact SD-CB 3.75Å; M190-Y498 HydrophobicContact CE-CD2 3.55Å; M190-Y498 HydrophobicContact CE-CE2 3.21Å; M190-Y498 WeakPolarHBondContact O-CD1 3.43Å; M190-Y498 VanDerWaalsContact O-CE1 3.24Å; M190-Y498 WeakPolarHBondContact O-CE1 3.39Å; M190-Y498 HydrophobicContact SD-CD2 3.98Å; M190-Y498 HydrophobicContact SD-CE2 4.22Å
191T91.5Very high91.4Very high103 Ų10338.8 Ų38.863%0.63221%0.205SC*.  trans-88.5-5.5-177.161.50000114.4A188A188-T191 WeakPolarHBondContact O-CB 3.4Å; A188-T191 WeakPolarHBondContact O-CG2 3.46Å; A188-T191 PolarHBondContact O-N 3Å; A188-T191 PolarHBondContact O-OG1 2.81Å
192G89.4Confident90.8Very high17 Ų1738.6 Ų38.618%0.17520%0.204CC..SBendtrans-70.3-172.3177.600000113.6Y498 L499G192-Y498 WeakPolarHBondContact O-CD1 3.2Å; G192-L499 CarbonylContact C-O 3.54Å; G192-L499 VanDerWaalsContact CA-O 3.24Å; G192-L499 WeakPolarHBondContact CA-O 3.26Å
193T92.8Very high89.9Confident70 Ų7040 Ų4043%0.42921%0.213SC..EExtended strand (participates in β ladder)trans-81.7122.2172.3-59.40000108.8V195 Y498 L499 N501T193-V195 HydrophobicContact CG2-CG2 3.98Å; T193-V195 PolarHBondContact O-N 3.17Å; T193-Y498 WeakPolarHBondContact O-CA 3.3Å; T193-L499 PolarHBondContact N-O 3.04Å; T193-L499 PolarHBondContact O-N 2.97Å; T193-N501 PolarHBondContact N-OD1 3.19Å; T193-N501 PolarHBondContact OG1-OD1 2.81Å
194P93.8Very high88.2Confident44 Ų4440.1 Ų40.129%0.28623%0.233SC..EExtended strand (participates in β ladder)trans-65.8129.2172.228.3-33.3000109L497 Y498P194-L497 CarbonylContact C-O 3.58Å; P194-L497 WeakPolarHBondContact CA-O 3.48Å; P194-Y498 HydrophobicContact CB-CD1 4.15Å; P194-Y498 HydrophobicContact CB-CE1 3.87Å; P194-Y498 HydrophobicContact CG-CE1 4.28Å
195V93.8Very high86.2Confident16 Ų1635.9 Ų35.910%0.09722%0.222CC..EExtended strand (participates in β ladder)trans-139.4135.6-176.61750000109.6T193 V197 R221 L497 L499T193-V195 HydrophobicContact CG2-CG2 3.98Å; T193-V195 PolarHBondContact O-N 3.17Å; V195-V197 HydrophobicContact CG1-CG2 4.42Å; V195-R221 HydrophobicContact CG1-CB 3.78Å; V195-L497 PolarHBondContact N-O 2.77Å; V195-L497 PolarHBondContact O-N 2.97Å; V195-L499 HydrophobicContact CB-CD1 3.92Å; V195-L499 HydrophobicContact CB-CG 4.03Å; V195-L499 HydrophobicContact CG1-CD1 3.91Å; V195-L499 HydrophobicContact CG2-CB 4.45Å; V195-L499 HydrophobicContact CG2-CD1 3.96Å; V195-L499 HydrophobicContact CG2-CG 4.13Å
196L93.8Very high83.7Confident1 Ų142 Ų421%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-72.1127.4168-81.5163.1000110.3R221 Y222 H447 Y452 V494L196-R221 CarbonylContact O-C 3.6Å; L196-R221 WeakPolarHBondContact O-CA 3.49Å; L196-Y222 HydrophobicContact CD1-CD1 4.09Å; L196-Y222 PolarHBondContact O-N 3.38Å; L196-H447 HydrophobicContact CD1-CB 4.16Å; L196-H447 HydrophobicContact CD2-CB 3.63Å; L196-H447 HydrophobicContact CG-CB 3.81Å; L196-H447 VanDerWaalsContact CG-CG 3.49Å; L196-Y452 HydrophobicContact CD1-CD1 3.27Å; L196-Y452 HydrophobicContact CD1-CD2 3.68Å; L196-Y452 HydrophobicContact CD1-CE1 3.3Å; L196-Y452 HydrophobicContact CD1-CE2 3.75Å; L196-Y452 HydrophobicContact CD1-CG 3.43Å; L196-Y452 VanDerWaalsContact CD1-CG 3.43Å; L196-Y452 HydrophobicContact CD2-CD2 4.35Å; L196-Y452 HydrophobicContact CD2-CG 4.16Å; L196-Y452 HydrophobicContact CG-CG 4.43Å; L196-V494 HydrophobicContact CD2-CG2 3.88Å
197V93.7Very high81.3Confident3 Ų346 Ų462%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-118.4132.4178.6177.50000108.8V195 M219 L220 L232 V494 S495 L497V195-V197 HydrophobicContact CG1-CG2 4.42Å; V197-M219 HydrophobicContact CG1-CE 3.75Å; V197-L220 CarbonylContact C-O 3.6Å; V197-L220 VanDerWaalsContact CA-O 3.29Å; V197-L220 WeakPolarHBondContact CA-O 3.47Å; V197-L232 HydrophobicContact CB-CD2 4.39Å; V197-L232 HydrophobicContact CG1-CD2 3.66Å; V197-L232 HydrophobicContact CG2-CD2 3.76Å; V197-V494 CarbonylContact O-C 3.49Å; V197-V494 WeakPolarHBondContact O-CA 3.32Å; V197-S495 PolarHBondContact N-O 2.96Å; V197-S495 PolarHBondContact O-N 3.46Å; V197-L497 HydrophobicContact CB-CD1 4.26Å; V197-L497 HydrophobicContact CG1-CD1 4.46Å; V197-L497 HydrophobicContact CG2-CB 4.25Å; V197-L497 HydrophobicContact CG2-CD1 4.06Å
198A91.5Very high79.1Confident0 Ų042.4 Ų42.40%027%0.273CS..EExtended strand (participates in β ladder)trans-109.3135.3171.200000109.8F202 M219 L220 W229 M454 L493A198-F202 HydrophobicContact CB-CZ 4.01Å; A198-M219 CarbonylContact O-C 3.54Å; A198-M219 VanDerWaalsContact O-CA 3.3Å; A198-M219 WeakPolarHBondContact O-CA 3.45Å; A198-L220 HydrophobicContact CB-CB 4.5Å; A198-L220 PolarHBondContact N-O 2.82Å; A198-L220 PolarHBondContact O-N 2.93Å; A198-W229 HydrophobicContact CB-CE3 4.16Å; A198-W229 HydrophobicContact CB-CH2 3.64Å; A198-W229 HydrophobicContact CB-CZ3 3.41Å; A198-W229 VanDerWaalsContact CB-CZ3 3.41Å; A198-M454 HydrophobicContact CB-CE 4.17Å; A198-M454 HydrophobicContact CB-SD 4.42Å; A198-L493 CarbonylContact C-O 3.58Å; A198-L493 WeakPolarHBondContact CA-O 3.45Å
199L90.8Very high76.7Confident8 Ų844 Ų444%0.04228%0.281CS..EExtended strand (participates in β ladder)trans-122.2140.2176176.5149.6000108.7M219 L236 Y246 L255 W281 L492 L493L199-M219 HydrophobicContact CB-CG 4.34Å; L199-M219 HydrophobicContact CD1-CE 4.5Å; L199-M219 HydrophobicContact CD1-CG 4.08Å; L199-M219 HydrophobicContact CD1-SD 4.29Å; L199-M219 HydrophobicContact CG-CG 4.28Å; L199-L236 HydrophobicContact CD1-CD1 4.03Å; L199-Y246 WeakPolarHBondContact CD2-OH 3.47Å; L199-L255 HydrophobicContact CD1-CD2 4.12Å; L199-W281 HydrophobicContact CD1-CH2 3.69Å; L199-W281 HydrophobicContact CD1-CZ2 3.58Å; L199-L492 CarbonylContact O-C 3.56Å; L199-L492 WeakPolarHBondContact O-CA 3.23Å; L199-L493 HydrophobicContact CB-CB 4.4Å; L199-L493 PolarHBondContact N-O 3.23Å; L199-L493 PolarHBondContact O-N 3.15Å
200G85.9Confident74.4Confident4 Ų450.3 Ų50.34%0.04131%0.31CS..EExtended strand (participates in β ladder)trans162.6-176.7172.500000113.6F202 S218G200-F202 WeakPolarHBondContact O-CD2 3.26Å; G200-F202 PolarHBondContact O-N 2.98Å; G200-F202 VanDerWaalsContact O-N 3.11Å; G200-S218 PolarHBondContact N-O 3.42Å
201D80.3Confident72.1Confident36 Ų3651.6 Ų51.619%0.19332%0.324CS..EExtended strand (participates in β ladder)trans-85.382.5-178.4-56.1-48000108.8G489 H490 N491D201-G489 CarbonylContact O-C 3.55Å; D201-G489 WeakPolarHBondContact O-CA 3.27Å; D201-H490 HydrophobicContact CB-CB 4.26Å; D201-H490 PolarHBondContact N-O 3.47Å; D201-H490 PolarHBondContact O-N 2.65Å; D201-N491 PolarHBondContact OD2-ND2 3.48Å
202F77.9Confident70.1Confident13 Ų1351 Ų516%0.05731%0.311CS..EExtended strand (participates in β ladder)trans-76127-177.4-60.4-77.6000111.5A198 G200 P216 P217 S218 L220 F485 A487 F488 L492A198-F202 HydrophobicContact CB-CZ 4.01Å; G200-F202 WeakPolarHBondContact O-CD2 3.26Å; G200-F202 PolarHBondContact O-N 2.98Å; G200-F202 VanDerWaalsContact O-N 3.11Å; F202-P216 VanDerWaalsContact O-CB 3.29Å; F202-P216 WeakPolarHBondContact O-CB 3.46Å; F202-P216 WeakPolarHBondContact O-CG 3.33Å; F202-P217 WeakPolarHBondContact CD2-O 3.4Å; F202-S218 WeakPolarHBondContact CE2-O 3.47Å; F202-L220 HydrophobicContact CD1-CD1 3.95Å; F202-L220 HydrophobicContact CD2-CD1 4.47Å; F202-L220 HydrophobicContact CD2-CG 4.39Å; F202-L220 HydrophobicContact CE1-CD1 3.55Å; F202-L220 HydrophobicContact CE1-CG 4.23Å; F202-L220 HydrophobicContact CE2-CD1 4.12Å; F202-L220 HydrophobicContact CE2-CG 3.9Å; F202-L220 HydrophobicContact CG-CD1 4.36Å; F202-L220 HydrophobicContact CZ-CB 4.37Å; F202-L220 HydrophobicContact CZ-CD1 3.64Å; F202-L220 HydrophobicContact CZ-CG 3.8Å; F202-F485 HydrophobicContact CE1-CZ 4.26Å; F202-A487 HydrophobicContact CB-CB 4.39Å; F202-A487 HydrophobicContact CD1-CB 3.45Å; F202-A487 VanDerWaalsContact CD1-CB 3.45Å; F202-A487 HydrophobicContact CE1-CB 4.13Å; F202-A487 HydrophobicContact CG-CB 4.29Å; F202-F488 CarbonylContact C-O 3.59Å; F202-F488 WeakPolarHBondContact CA-O 3.15Å; F202-L492 HydrophobicContact CD1-CD2 3.74Å; F202-L492 HydrophobicContact CE1-CD2 3.41Å; F202-L492 VanDerWaalsContact CE1-CD2 3.41Å; F202-L492 HydrophobicContact CZ-CD2 3.94Å
203L69.4Low68.1Low81 Ų8159.8 Ų59.842%0.42435%0.348SS..EExtended strand (participates in β ladder)trans-89.9124176.4-58.7172.4000109.1G205 F488L203-G205 PolarHBondContact O-N 3.18Å; L203-G205 VanDerWaalsContact O-N 3.12Å; L203-F488 HydrophobicContact CB-CB 3.96Å; L203-F488 HydrophobicContact CD1-CB 4.28Å; L203-F488 PolarHBondContact N-O 3.42Å
204G55.2Low66.5Low72 Ų7259.2 Ų59.274%0.74236%0.356SS*.  trans-57.7114.4177.700000111.5
205G49.1Very low65.2Low17 Ų1764.8 Ų64.818%0.17538%0.378CS..  trans-122.5153.1-179.500000112.4L203 L207 A208L203-G205 PolarHBondContact O-N 3.18Å; L203-G205 VanDerWaalsContact O-N 3.12Å; G205-L207 PolarHBondContact O-N 2.86Å; G205-A208 PolarHBondContact O-N 2.87Å
206P41.9Very low64Low130 Ų13066.6 Ų66.684%0.84439%0.39SS*.THydrogen-bonded Turntrans-67.6-0-176.626.4-33.6000115
207L43.6Very low63.4Low131 Ų13167 Ų6769%0.68639%0.393SS*.THydrogen-bonded Turntrans-102.8-0.5-179.4-68.3167.8000113.4G205G205-L207 PolarHBondContact O-N 2.86Å
208A45.3Very low63Low21 Ų2168 Ų6817%0.17440%0.399CS..SBendtrans-67.6132.5168.900000109.1G205 H210 Y212G205-A208 PolarHBondContact O-N 2.87Å; A208-H210 PolarHBondContact O-N 3.31Å; A208-Y212 HydrophobicContact CB-CD2 4.37Å; A208-Y212 HydrophobicContact CB-CE2 3.93Å
209P44.1Very low62.9Low69 Ų6968 Ų6845%0.44840%0.4SS..SBendtrans-64.77.2-178.820.2-27.4000115
210H45.4Very low62.8Low139 Ų13967.9 Ų67.964%0.64440%0.399SS*.SBendtrans-146.1137.2160.3-104.6-82.2000108.7A208 Y212A208-H210 PolarHBondContact O-N 3.31Å; H210-Y212 PolarHBondContact O-N 2.83Å
211P44.8Very low63Low108 Ų10869.8 Ų69.870%0.70141%0.405SS*.  trans-66.9102.3162.928.4-28.3000106.2Q213P211-Q213 PolarHBondContact O-N 2.76Å
212Y50.7Low63.4Low90 Ų9068.5 Ų68.535%0.35340%0.398SS..  trans-56.5114.4170.2-63.6-74.2000107.4A208 H210 G214 P217 P231A208-Y212 HydrophobicContact CB-CD2 4.37Å; A208-Y212 HydrophobicContact CB-CE2 3.93Å; H210-Y212 PolarHBondContact O-N 2.83Å; Y212-G214 PolarHBondContact O-N 3.01Å; Y212-P217 HydrophobicContact CE1-CG 4.48Å; Y212-P231 HydrophobicContact CE1-CG 3.49Å; Y212-P231 VanDerWaalsContact CE1-CG 3.49Å; Y212-P231 WeakPolarHBondContact OH-CD 3.38Å; Y212-P231 WeakPolarHBondContact OH-CG 3.48Å
213Q47.5Very low63.8Low203 Ų20370.2 Ų70.295%0.94941%0.406SS*.SBendtrans-79.740.5173.6-71.4-177-17.200110.8P211P211-Q213 PolarHBondContact O-N 2.76Å
214G58.7Low64.4Low57 Ų5770.5 Ų70.559%0.58841%0.405SS*.SBendtrans-172.9-171.4-173.200000112.9Y212Y212-G214 PolarHBondContact O-N 3.01Å
215E65.1Low65.7Low161 Ų16175.3 Ų75.375%0.75241%0.41SS*.SBendtrans-60.4138.5176.3-68-177.7169.700111.1
216P69.9Low67.4Low54 Ų5477.1 Ų77.135%0.35142%0.418SS..PPolyproline II helixtrans-63141.8179.827.1-33.5000110.3F202 S218 N234F202-P216 VanDerWaalsContact O-CB 3.29Å; F202-P216 WeakPolarHBondContact O-CB 3.46Å; F202-P216 WeakPolarHBondContact O-CG 3.33Å; P216-S218 PolarHBondContact O-N 2.78Å; P216-N234 PolarHBondContact O-OD1 3.44Å
217P80.1Confident69.3Low11 Ų1175.5 Ų75.57%0.07140%0.399CS..PPolyproline II helixtrans-63.5138.4179.228.2-35.3000110.3F202 Y212 M219 L220 P231 N234F202-P217 WeakPolarHBondContact CD2-O 3.4Å; Y212-P217 HydrophobicContact CE1-CG 4.48Å; P217-M219 VanDerWaalsContact C-N 3.3Å; P217-L220 HydrophobicContact CB-CD2 4.37Å; P217-L220 HydrophobicContact CG-CD2 3.62Å; P217-P231 HydrophobicContact CB-CB 4.25Å; P217-P231 HydrophobicContact CG-CB 4.38Å; P217-P231 HydrophobicContact CG-CG 4.45Å; P217-N234 WeakPolarHBondContact CA-OD1 3.47Å
218S85.1Confident71.1Confident22 Ų2274.7 Ų74.715%0.15439%0.387CS..SBendtrans-77-17175.9-53.20000113.4G200 F202 P216 A233 N234G200-S218 PolarHBondContact N-O 3.42Å; F202-S218 WeakPolarHBondContact CE2-O 3.47Å; P216-S218 PolarHBondContact O-N 2.78Å; S218-A233 PolarHBondContact N-O 3.48Å; S218-A233 VanDerWaalsContact N-O 3.17Å; S218-N234 PolarHBondContact N-OD1 3.14Å; S218-N234 PolarHBondContact OG-OD1 2.92Å; S218-N234 VanDerWaalsContact OG-OD1 3.05Å
219M89.9Confident73Confident1 Ų173.9 Ų73.91%0.00538%0.379CS..EExtended strand (participates in β ladder)trans-136.6136.1179.6-60.5175.970.900111.8V197 A198 L199 P217 L232 A233 L255 Y274 W281V197-M219 HydrophobicContact CG1-CE 3.75Å; A198-M219 CarbonylContact O-C 3.54Å; A198-M219 VanDerWaalsContact O-CA 3.3Å; A198-M219 WeakPolarHBondContact O-CA 3.45Å; L199-M219 HydrophobicContact CB-CG 4.34Å; L199-M219 HydrophobicContact CD1-CE 4.5Å; L199-M219 HydrophobicContact CD1-CG 4.08Å; L199-M219 HydrophobicContact CD1-SD 4.29Å; L199-M219 HydrophobicContact CG-CG 4.28Å; P217-M219 VanDerWaalsContact C-N 3.3Å; M219-L232 HydrophobicContact CB-CB 4.21Å; M219-L232 HydrophobicContact CE-CD2 4.13Å; M219-L232 PolarHBondContact O-N 2.97Å; M219-A233 HydrophobicContact CB-CB 4.11Å; M219-A233 HydrophobicContact CG-CB 4.4Å; M219-A233 PolarHBondContact N-O 3.43Å; M219-A233 PolarHBondContact O-N 2.78Å; M219-A233 HydrophobicContact SD-CB 3.97Å; M219-L255 HydrophobicContact CE-CD2 4.31Å; M219-Y274 HydrophobicContact CE-CD1 3.74Å; M219-Y274 HydrophobicContact CE-CD2 4.31Å; M219-Y274 HydrophobicContact CE-CE1 3.58Å; M219-Y274 HydrophobicContact CE-CE2 4.17Å; M219-Y274 HydrophobicContact CE-CG 4.09Å; M219-Y274 HydrophobicContact SD-CD2 4.18Å; M219-Y274 HydrophobicContact SD-CE1 4.5Å; M219-Y274 HydrophobicContact SD-CE2 4.02Å; M219-Y274 HydrophobicContact SD-CG 4.46Å; M219-W281 HydrophobicContact CE-CZ2 4.38Å; M219-W281 HydrophobicContact SD-CZ2 3.73Å
220L88.9Confident74.9Confident6 Ų673.6 Ų73.63%0.03137%0.371CS..EExtended strand (participates in β ladder)trans-119.9147176.5-59.6176.8000110.3V197 A198 F202 P217 W229 F230 A487V197-L220 CarbonylContact C-O 3.6Å; V197-L220 VanDerWaalsContact CA-O 3.29Å; V197-L220 WeakPolarHBondContact CA-O 3.47Å; A198-L220 HydrophobicContact CB-CB 4.5Å; A198-L220 PolarHBondContact N-O 2.82Å; A198-L220 PolarHBondContact O-N 2.93Å; F202-L220 HydrophobicContact CD1-CD1 3.95Å; F202-L220 HydrophobicContact CD2-CD1 4.47Å; F202-L220 HydrophobicContact CD2-CG 4.39Å; F202-L220 HydrophobicContact CE1-CD1 3.55Å; F202-L220 HydrophobicContact CE1-CG 4.23Å; F202-L220 HydrophobicContact CE2-CD1 4.12Å; F202-L220 HydrophobicContact CE2-CG 3.9Å; F202-L220 HydrophobicContact CG-CD1 4.36Å; F202-L220 HydrophobicContact CZ-CB 4.37Å; F202-L220 HydrophobicContact CZ-CD1 3.64Å; F202-L220 HydrophobicContact CZ-CG 3.8Å; P217-L220 HydrophobicContact CB-CD2 4.37Å; P217-L220 HydrophobicContact CG-CD2 3.62Å; L220-W229 HydrophobicContact CB-CB 4.43Å; L220-W229 HydrophobicContact CB-CD2 4.47Å; L220-W229 HydrophobicContact CB-CE3 3.64Å; L220-W229 HydrophobicContact CB-CZ3 4.32Å; L220-W229 HydrophobicContact CD1-CB 4.26Å; L220-F230 CarbonylContact C-O 3.59Å; L220-F230 VanDerWaalsContact CA-O 3.28Å; L220-F230 WeakPolarHBondContact CA-O 3.41Å; L220-A487 HydrophobicContact CD1-CB 4.4Å
221R90.9Very high76.9Confident44 Ų4469.8 Ų69.817%0.16636%0.359CS..EExtended strand (participates in β ladder)trans-111.2138.3169.866.3-178.5-173.493.911.1110.4V195 L196 W229 F230 L232V195-R221 HydrophobicContact CG1-CB 3.78Å; L196-R221 CarbonylContact O-C 3.6Å; L196-R221 WeakPolarHBondContact O-CA 3.49Å; R221-W229 CarbonylContact O-C 3.57Å; R221-W229 WeakPolarHBondContact O-CA 3.46Å; R221-F230 HydrophobicContact CG-CB 4.06Å; R221-F230 PolarHBondContact N-O 3.14Å; R221-F230 PolarHBondContact O-N 3.07Å; R221-L232 HydrophobicContact CB-CB 4.2Å; R221-L232 HydrophobicContact CG-CB 4.45Å
222Y88.3Confident79Confident9 Ų966.2 Ų66.24%0.03533%0.334CS..EExtended strand (participates in β ladder)trans-90.6134.7176.2-173.8-116.6000110.2L196 E224 W229 F469 F482L196-Y222 HydrophobicContact CD1-CD1 4.09Å; L196-Y222 PolarHBondContact O-N 3.38Å; Y222-E224 HydrophobicContact CD1-CG 4.06Å; Y222-E224 HydrophobicContact CE1-CB 4.48Å; Y222-E224 HydrophobicContact CE1-CG 3.94Å; Y222-W229 AromaticContact CD2-CD1 3.88Å; Y222-W229 AromaticContact CD2-CD2 3.93Å; Y222-W229 HydrophobicContact CD2-CD2 3.93Å; Y222-W229 AromaticContact CD2-CE2 3.59Å; Y222-W229 HydrophobicContact CD2-CG 4.16Å; Y222-W229 HydrophobicContact CD2-CZ2 4.03Å; Y222-W229 AromaticContact CD2-NE1 3.52Å; Y222-W229 AromaticContact CE2-NE1 3.97Å; Y222-W229 HydrophobicContact CG-CD2 4.47Å; Y222-W229 HydrophobicContact CG-CH2 4.49Å; Y222-W229 HydrophobicContact CG-CZ2 4.22Å; Y222-F469 HydrophobicContact CD2-CE1 4.34Å; Y222-F469 HydrophobicContact CD2-CZ 4.5Å; Y222-F469 AromaticContact CE2-CE1 3.98Å; Y222-F469 HydrophobicContact CE2-CE1 3.98Å; Y222-F469 HydrophobicContact CE2-CZ 4.46Å; Y222-F482 WeakPolarHBondContact OH-CD1 3.23Å; Y222-F482 WeakPolarHBondContact OH-CE1 3.39Å
223E86Confident80.7Confident48 Ų4862.3 Ų62.322%0.22432%0.32CS..EExtended strand (participates in β ladder)trans-111.9113.3173-173.7172.8-107.300109.1M225 T226 E227 R228 F230E223-M225 PolarHBondContact O-N 2.8Å; E223-T226 PolarHBondContact O-N 2.8Å; E223-T226 WeakPolarHBondContact OE2-CG2 3.31Å; E223-T226 PolarHBondContact OE2-OG1 2.94Å; E223-E227 WeakPolarHBondContact O-CA 3.24Å; E223-E227 PolarHBondContact O-N 2.89Å; E223-R228 PolarHBondContact N-O 3.06Å; E223-R228 PolarHBondContact O-N 3.25Å; E223-F230 HydrophobicContact CB-CD2 3.94Å; E223-F230 HydrophobicContact CB-CE2 3.74Å; E223-F230 HydrophobicContact CG-CE2 4.41Å; E223-F230 WeakPolarHBondContact OE2-CE2 3.45Å
224E81.5Confident82.4Confident87 Ų8756.3 Ų56.341%0.40729%0.294SS..THydrogen-bonded Turntrans-64.8-40.4-174.2-62.3-170.715100112.2Y222 T226 E227 H447 N448 Y452Y222-E224 HydrophobicContact CD1-CG 4.06Å; Y222-E224 HydrophobicContact CE1-CB 4.48Å; Y222-E224 HydrophobicContact CE1-CG 3.94Å; E224-T226 VanDerWaalsContact C-N 3.29Å; E224-T226 PolarHBondContact O-N 3.16Å; E224-E227 PolarHBondContact O-N 3.37Å; E224-H447 IonicContact OE1-CD2 3.72Å; E224-H447 PolarHBondContact OE1-CD2 3.01Å; E224-H447 IonicContact OE1-NE2 3.96Å; E224-H447 PolarHBondContact OE1-NE2 2.72Å; E224-N448 PolarHBondContact OE1-ND2 2.77Å; E224-N448 VanDerWaalsContact OE1-ND2 3.14Å; E224-Y452 PolarHBondContact OE1-OH 2.96Å
225M83.6Confident83.8Confident174 Ų17456.5 Ų56.586%0.85728%0.282SS*.THydrogen-bonded Turntrans-61.3-34.7-178.1-67.4-172.1-69.800113.6E223E223-M225 PolarHBondContact O-N 2.8Å
226T83.3Confident84.9Confident55 Ų5550 Ų5034%0.33725%0.252SS..THydrogen-bonded Turntrans-102.6-6.8-177.961.90000112.7E223 E224 R228E223-T226 PolarHBondContact O-N 2.8Å; E223-T226 WeakPolarHBondContact OE2-CG2 3.31Å; E223-T226 PolarHBondContact OE2-OG1 2.94Å; E224-T226 VanDerWaalsContact C-N 3.29Å; E224-T226 PolarHBondContact O-N 3.16Å; T226-R228 WeakPolarHBondContact O-CG 3.5Å; T226-R228 PolarHBondContact O-N 2.8Å
227E81.8Confident85.8Confident95 Ų9548 Ų4844%0.44424%0.239SC..THydrogen-bonded Turntrans49.343-171.7-58.4178.4174.800112.5E223 E224E223-E227 WeakPolarHBondContact O-CA 3.24Å; E223-E227 PolarHBondContact O-N 2.89Å; E224-E227 PolarHBondContact O-N 3.37Å
228R82.9Confident86.1Confident114 Ų11453 Ų5343%0.4327%0.272SS..EExtended strand (participates in β ladder)trans-131.8151.5-175.2-74.9174.8-173.8-156.91.2112E223 T226 F230E223-R228 PolarHBondContact N-O 3.06Å; E223-R228 PolarHBondContact O-N 3.25Å; T226-R228 WeakPolarHBondContact O-CG 3.5Å; T226-R228 PolarHBondContact O-N 2.8Å; R228-F230 HydrophobicContact CB-CE2 3.83Å; R228-F230 HydrophobicContact CB-CZ 4.14Å
229W84.3Confident86Confident4 Ų454.7 Ų54.72%0.01528%0.279CS..EExtended strand (participates in β ladder)trans-94.7135.5172.1-66.585000110.2A198 L220 R221 Y222 M454 F469 F485 P486A198-W229 HydrophobicContact CB-CE3 4.16Å; A198-W229 HydrophobicContact CB-CH2 3.64Å; A198-W229 HydrophobicContact CB-CZ3 3.41Å; A198-W229 VanDerWaalsContact CB-CZ3 3.41Å; L220-W229 HydrophobicContact CB-CB 4.43Å; L220-W229 HydrophobicContact CB-CD2 4.47Å; L220-W229 HydrophobicContact CB-CE3 3.64Å; L220-W229 HydrophobicContact CB-CZ3 4.32Å; L220-W229 HydrophobicContact CD1-CB 4.26Å; R221-W229 CarbonylContact O-C 3.57Å; R221-W229 WeakPolarHBondContact O-CA 3.46Å; Y222-W229 AromaticContact CD2-CD1 3.88Å; Y222-W229 AromaticContact CD2-CD2 3.93Å; Y222-W229 HydrophobicContact CD2-CD2 3.93Å; Y222-W229 AromaticContact CD2-CE2 3.59Å; Y222-W229 HydrophobicContact CD2-CG 4.16Å; Y222-W229 HydrophobicContact CD2-CZ2 4.03Å; Y222-W229 AromaticContact CD2-NE1 3.52Å; Y222-W229 AromaticContact CE2-NE1 3.97Å; Y222-W229 HydrophobicContact CG-CD2 4.47Å; Y222-W229 HydrophobicContact CG-CH2 4.49Å; Y222-W229 HydrophobicContact CG-CZ2 4.22Å; W229-M454 HydrophobicContact CH2-CE 3.76Å; W229-M454 HydrophobicContact CZ2-CE 3.49Å; W229-M454 VanDerWaalsContact CZ2-CE 3.49Å; W229-F469 HydrophobicContact CH2-CZ 4.45Å; W229-F469 AromaticContact CZ2-CE1 3.92Å; W229-F469 HydrophobicContact CZ2-CE1 3.92Å; W229-F469 AromaticContact CZ2-CE2 3.83Å; W229-F469 HydrophobicContact CZ2-CE2 3.83Å; W229-F469 AromaticContact CZ2-CZ 3.49Å; W229-F469 HydrophobicContact CZ2-CZ 3.49Å; W229-F469 VanDerWaalsContact CZ2-CZ 3.49Å; W229-F469 AromaticContact NE1-CE1 3.74Å; W229-F485 AromaticContact CD1-CD2 3.88Å; W229-F485 HydrophobicContact CD2-CE2 4.32Å; W229-F485 AromaticContact CE2-CD2 3.88Å; W229-F485 AromaticContact CE2-CE2 3.76Å; W229-F485 HydrophobicContact CZ2-CD2 4.35Å; W229-F485 HydrophobicContact CZ2-CE2 4.04Å; W229-F485 AromaticContact NE1-CD2 3.38Å; W229-F485 AromaticContact NE1-CE2 3.76Å; W229-P486 HydrophobicContact CB-CG 3.8Å; W229-P486 VanDerWaalsContact CD1-CD 3.43Å; W229-P486 HydrophobicContact CG-CG 4.32Å
230F84.9Confident85.8Confident64 Ų6455 Ų5528%0.28128%0.281SS..EExtended strand (participates in β ladder)trans-121.8151.2176.9-65.5-87.7000110.1L220 R221 E223 R228 L232L220-F230 CarbonylContact C-O 3.59Å; L220-F230 VanDerWaalsContact CA-O 3.28Å; L220-F230 WeakPolarHBondContact CA-O 3.41Å; R221-F230 HydrophobicContact CG-CB 4.06Å; R221-F230 PolarHBondContact N-O 3.14Å; R221-F230 PolarHBondContact O-N 3.07Å; E223-F230 HydrophobicContact CB-CD2 3.94Å; E223-F230 HydrophobicContact CB-CE2 3.74Å; E223-F230 HydrophobicContact CG-CE2 4.41Å; E223-F230 WeakPolarHBondContact OE2-CE2 3.45Å; R228-F230 HydrophobicContact CB-CE2 3.83Å; R228-F230 HydrophobicContact CB-CZ 4.14Å; F230-L232 PolarHBondContact O-N 2.89Å
231P86.5Confident85.5Confident59 Ų5957.9 Ų57.938%0.38330%0.299SS..EExtended strand (participates in β ladder)trans-53.2136.5169.1-24.433.5000111.7Y212 P217Y212-P231 HydrophobicContact CE1-CG 3.49Å; Y212-P231 VanDerWaalsContact CE1-CG 3.49Å; Y212-P231 WeakPolarHBondContact OH-CD 3.38Å; Y212-P231 WeakPolarHBondContact OH-CG 3.48Å; P217-P231 HydrophobicContact CB-CB 4.25Å; P217-P231 HydrophobicContact CG-CB 4.38Å; P217-P231 HydrophobicContact CG-CG 4.45Å
232L88.4Confident85Confident33 Ų3359.8 Ų59.817%0.17331%0.312CS..EExtended strand (participates in β ladder)trans-109.7-53.3168.4178.962.8000110.6V197 M219 R221 F230 L499V197-L232 HydrophobicContact CB-CD2 4.39Å; V197-L232 HydrophobicContact CG1-CD2 3.66Å; V197-L232 HydrophobicContact CG2-CD2 3.76Å; M219-L232 HydrophobicContact CB-CB 4.21Å; M219-L232 HydrophobicContact CE-CD2 4.13Å; M219-L232 PolarHBondContact O-N 2.97Å; R221-L232 HydrophobicContact CB-CB 4.2Å; R221-L232 HydrophobicContact CG-CB 4.45Å; F230-L232 PolarHBondContact O-N 2.89Å; L232-L499 HydrophobicContact CD1-CD1 3.99Å; L232-L499 HydrophobicContact CD1-CD2 4.4Å
233A86.3Confident85Confident8 Ų859.4 Ų59.47%0.06631%0.311CS..EExtended strand (participates in β ladder)trans-152.7154.8-175.200000112.1S218 M219 N235 N279S218-A233 PolarHBondContact N-O 3.48Å; S218-A233 VanDerWaalsContact N-O 3.17Å; M219-A233 HydrophobicContact CB-CB 4.11Å; M219-A233 HydrophobicContact CG-CB 4.4Å; M219-A233 PolarHBondContact N-O 3.43Å; M219-A233 PolarHBondContact O-N 2.78Å; M219-A233 HydrophobicContact SD-CB 3.97Å; A233-N235 WeakPolarHBondContact CB-OD1 3.32Å; A233-N279 VanDerWaalsContact CB-OD1 3.26Å; A233-N279 WeakPolarHBondContact CB-OD1 3.36Å
234N84.1Confident85.1Confident76 Ų7662.9 Ų62.941%0.40632%0.322SS..  trans-133.833172.1-162.337.1000112.8P216 P217 S218P216-N234 PolarHBondContact O-OD1 3.44Å; P217-N234 WeakPolarHBondContact CA-OD1 3.47Å; S218-N234 PolarHBondContact N-OD1 3.14Å; S218-N234 PolarHBondContact OG-OD1 2.92Å; S218-N234 VanDerWaalsContact OG-OD1 3.05Å
235N87.5Confident85.4Confident62 Ų6259.5 Ų59.533%0.33231%0.31SS..  trans-113.736.4-175.461.3-11.3000111.7A233 N279A233-N235 WeakPolarHBondContact CB-OD1 3.32Å; N235-N279 PolarHBondContact ND2-O 2.84Å
236L88.8Confident85.8Confident23 Ų2352 Ų5212%0.1227%0.272CS..  trans-58.9130.2177.2-169.572000109.2L199 L240 V241 W281L199-L236 HydrophobicContact CD1-CD1 4.03Å; L236-L240 HydrophobicContact CD1-CB 4.16Å; L236-L240 HydrophobicContact CD1-CD1 4.24Å; L236-L240 HydrophobicContact CD2-CB 4.25Å; L236-L240 HydrophobicContact CG-CB 4.01Å; L236-V241 HydrophobicContact CD2-CG2 4.32Å; L236-W281 HydrophobicContact CD1-CH2 4.48Å; L236-W281 HydrophobicContact CD1-CZ2 3.95Å
237P89.5Confident86.3Confident13 Ų1349.5 Ų49.58%0.08426%0.257CS..  trans-53.8138.3178.1-28.935.1000111.4D239 L240 V241 H272 W281P237-D239 PolarHBondContact O-N 2.69Å; P237-L240 HydrophobicContact CB-CD1 4.44Å; P237-L240 HydrophobicContact CB-CG 4.31Å; P237-L240 HydrophobicContact CG-CD1 4.14Å; P237-L240 PolarHBondContact O-N 2.87Å; P237-V241 PolarHBondContact O-N 3.29Å; P237-H272 HydrophobicContact CG-CB 4.3Å; P237-W281 HydrophobicContact CG-CB 3.58Å; P237-W281 HydrophobicContact CG-CD2 3.91Å; P237-W281 HydrophobicContact CG-CE3 4.17Å; P237-W281 HydrophobicContact CG-CG 3.69Å
238P85.3Confident87Confident117 Ų11746.4 Ų46.476%0.7625%0.246SC*.G310 helixtrans-53.5-31.5179.8-27.534.6000113.2L240 V241P238-L240 PolarHBondContact O-N 3.36Å; P238-V241 PolarHBondContact O-N 3.32Å
239D83.8Confident87.7Confident56 Ų5641.6 Ų41.630%0.29923%0.231SC..G310 helixtrans-68.4-19.8178.9-82.8-19.5000114.7P237 V243 R262P237-D239 PolarHBondContact O-N 2.69Å; D239-V243 VanDerWaalsContact O-CG2 3.27Å; D239-V243 WeakPolarHBondContact O-CG2 3.21Å; D239-R262 VanDerWaalsContact CG-NH2 3.31Å; D239-R262 PolarHBondContact O-NH2 3.19Å; D239-R262 IonicContact OD1-CZ 2.76Å; D239-R262 IonicContact OD1-NH2 3.81Å; D239-R262 PolarHBondContact OD1-NH2 3.14Å
240L84.4Confident88.3Confident8 Ų844 Ų444%0.04224%0.243CC..G310 helixtrans-100.3-10.2-179.3-64.9-174.3000113.6L236 P237 P238 N242 V243 I257 H272 W281L236-L240 HydrophobicContact CD1-CB 4.16Å; L236-L240 HydrophobicContact CD1-CD1 4.24Å; L236-L240 HydrophobicContact CD2-CB 4.25Å; L236-L240 HydrophobicContact CG-CB 4.01Å; P237-L240 HydrophobicContact CB-CD1 4.44Å; P237-L240 HydrophobicContact CB-CG 4.31Å; P237-L240 HydrophobicContact CG-CD1 4.14Å; P237-L240 PolarHBondContact O-N 2.87Å; P238-L240 PolarHBondContact O-N 3.36Å; L240-N242 PolarHBondContact O-N 3.21Å; L240-V243 PolarHBondContact O-N 2.86Å; L240-I257 HydrophobicContact CD1-CB 3.83Å; L240-I257 HydrophobicContact CD1-CG1 4.42Å; L240-I257 HydrophobicContact CD1-CG2 3.8Å; L240-I257 HydrophobicContact CD2-CB 4.48Å; L240-I257 HydrophobicContact CD2-CG2 3.74Å; L240-I257 HydrophobicContact CG-CG2 4.39Å; L240-H272 HydrophobicContact CD1-CB 3.96Å; L240-W281 HydrophobicContact CD1-CZ3 4.21Å
241V83.3Confident88.9Confident67 Ų6741.5 Ų41.541%0.40623%0.233SC..THydrogen-bonded Turntrans-64129.5178.5179.40000109.9L236 P237 P238 V243L236-V241 HydrophobicContact CD2-CG2 4.32Å; P237-V241 PolarHBondContact O-N 3.29Å; P238-V241 PolarHBondContact O-N 3.32Å; V241-V243 PolarHBondContact O-N 3.37Å
242N81Confident89.3Confident83 Ų8339.9 Ų39.944%0.44422%0.221SC..THydrogen-bonded Turntrans56.928.5-178.3-60.1-55.9000114.7L240 I263L240-N242 PolarHBondContact O-N 3.21Å; N242-I263 HydrophobicContact CB-CG2 4.48Å
243V87.4Confident89.7Confident2 Ų238.5 Ų38.51%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-90.7133.8174179.60000110.1D239 L240 V241 Y246 R262 I268D239-V243 VanDerWaalsContact O-CG2 3.27Å; D239-V243 WeakPolarHBondContact O-CG2 3.21Å; L240-V243 PolarHBondContact O-N 2.86Å; V241-V243 PolarHBondContact O-N 3.37Å; V243-Y246 HydrophobicContact CB-CD1 4.37Å; V243-Y246 HydrophobicContact CG1-CD1 4.09Å; V243-Y246 WeakPolarHBondContact O-CD1 3.45Å; V243-Y246 VanDerWaalsContact O-CE1 3.31Å; V243-Y246 WeakPolarHBondContact O-CE1 3.39Å; V243-R262 HydrophobicContact CG2-CG 3.99Å; V243-I268 HydrophobicContact CG1-CD1 4.07Å; V243-I268 HydrophobicContact CG2-CD1 3.95Å
244R88.1Confident90.2Very high120 Ų12038.5 Ų38.545%0.45321%0.212SC..EExtended strand (participates in β ladder)trans-112.8158175.6-50.2-152.3168.4162.7-2.5111.6Y246 G260 Y261 N491R244-Y246 PolarHBondContact O-N 3.4Å; R244-Y246 VanDerWaalsContact O-N 3.15Å; R244-G260 CarbonylContact O-C 3.52Å; R244-G260 VanDerWaalsContact O-CA 3.32Å; R244-G260 WeakPolarHBondContact O-CA 3.49Å; R244-Y261 PolarHBondContact N-O 3.45Å; R244-Y261 PolarHBondContact O-N 2.77Å; R244-N491 WeakPolarHBondContact CB-OD1 3.47Å; R244-N491 WeakPolarHBondContact CD-OD1 3.47Å; R244-N491 WeakPolarHBondContact CG-ND2 3.41Å; R244-N491 WeakPolarHBondContact CG-OD1 3.5Å; R244-N491 PolarHBondContact NE-ND2 3.47Å; R244-N491 PolarHBondContact NE-OD1 2.97Å
245G88Confident90.9Very high16 Ų1635 Ų3517%0.16519%0.193CC..SBendtrans62.124.417200000114.1N293G245-N293 PolarHBondContact O-N 3.17Å
246Y92.7Very high91.4Very high17 Ų1732.1 Ų32.17%0.06718%0.178CC..  trans-68.5154.4170.552.4-104.8000110.5L199 V243 R244 I257 V258 G259 N491 L493L199-Y246 WeakPolarHBondContact CD2-OH 3.47Å; V243-Y246 HydrophobicContact CB-CD1 4.37Å; V243-Y246 HydrophobicContact CG1-CD1 4.09Å; V243-Y246 WeakPolarHBondContact O-CD1 3.45Å; V243-Y246 VanDerWaalsContact O-CE1 3.31Å; V243-Y246 WeakPolarHBondContact O-CE1 3.39Å; R244-Y246 PolarHBondContact O-N 3.4Å; R244-Y246 VanDerWaalsContact O-N 3.15Å; Y246-I257 HydrophobicContact CD1-CG2 4.34Å; Y246-I257 HydrophobicContact CD2-CD1 4.05Å; Y246-I257 HydrophobicContact CD2-CG2 3.69Å; Y246-I257 HydrophobicContact CE2-CD1 3.88Å; Y246-I257 HydrophobicContact CE2-CG2 4.27Å; Y246-I257 HydrophobicContact CG-CG2 3.74Å; Y246-V258 WeakPolarHBondContact CA-O 3.45Å; Y246-V258 WeakPolarHBondContact CB-O 3.37Å; Y246-G259 WeakPolarHBondContact CB-O 3.41Å; Y246-N491 HydrophobicContact CE1-CB 4.46Å; Y246-N491 PolarHBondContact OH-O 3.27Å; Y246-L493 HydrophobicContact CE2-CD2 4.45Å
247G94.1Very high91.7Very high2 Ų231.1 Ų31.12%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-82.6141.2167.700000110.4I257 V258G247-I257 WeakPolarHBondContact O-CA 3.3Å; G247-V258 PolarHBondContact N-O 3.12Å; G247-V258 PolarHBondContact O-N 2.7Å
248S95.5Very high92.1Very high30 Ų3030.5 Ų30.521%0.2117%0.169CC..EExtended strand (participates in β ladder)trans-133.6137.3177.860.20000111.1F256 L493S248-F256 VanDerWaalsContact CA-O 3.25Å; S248-F256 WeakPolarHBondContact CA-O 3.4Å; S248-L493 WeakPolarHBondContact OG-CD1 3.47Å
249A97.3Very high92.5Very high13 Ų1325 Ų2511%0.10713%0.133CC..EExtended strand (participates in β ladder)trans-154.1152.8175.800000110.9F256 L296 L303A249-F256 PolarHBondContact N-O 2.96Å; A249-F256 VanDerWaalsContact N-O 3.15Å; A249-F256 PolarHBondContact O-N 2.67Å; A249-L296 HydrophobicContact CB-CB 4.29Å; A249-L296 HydrophobicContact CB-CD2 3.82Å; A249-L296 HydrophobicContact CB-CG 3.78Å; A249-L303 HydrophobicContact CB-CD2 3.94Å
250I97.2Very high92.9Very high55 Ų5522.3 Ų22.328%0.28212%0.118SC..EExtended strand (participates in β ladder)trans-97.4130.4169.4-57.7-51.7000108.9Y254 L255 A298 L497I250-Y254 WeakPolarHBondContact CA-O 3.14Å; I250-L255 HydrophobicContact CD1-CB 3.65Å; I250-L255 HydrophobicContact CD1-CD1 3.62Å; I250-L255 HydrophobicContact CD1-CG 4.24Å; I250-A298 VanDerWaalsContact O-CB 3.26Å; I250-A298 WeakPolarHBondContact O-CB 3.42Å; I250-L497 HydrophobicContact CD1-CD2 3.59Å; I250-L497 HydrophobicContact CD1-CG 4.28Å; I250-L497 HydrophobicContact CG1-CD2 4.4Å; I250-L497 HydrophobicContact CG2-CD2 4.31Å
251L97.1Very high93.2Very high11 Ų1126 Ų266%0.05813%0.132CC..EExtended strand (participates in β ladder)trans-141.2125.3172171.464.3000109.3N253 Y254 F256 A298 L303 P319L251-N253 PolarHBondContact O-N 3.48Å; L251-Y254 PolarHBondContact N-O 3.26Å; L251-Y254 WeakPolarHBondContact O-CB 3.24Å; L251-Y254 PolarHBondContact O-N 2.96Å; L251-F256 HydrophobicContact CB-CD2 4.13Å; L251-F256 HydrophobicContact CB-CE2 3.85Å; L251-F256 HydrophobicContact CD2-CE2 4.38Å; L251-F256 HydrophobicContact CG-CE2 4.42Å; L251-A298 HydrophobicContact CB-CB 4.25Å; L251-L303 HydrophobicContact CB-CD2 3.76Å; L251-L303 HydrophobicContact CD2-CD2 3.86Å; L251-L303 HydrophobicContact CD2-CG 3.83Å; L251-L303 HydrophobicContact CG-CD2 4.41Å; L251-P319 HydrophobicContact CD2-CG 3.66Å
252D95.8Very high93.3Very high26 Ų2626 Ų2614%0.13913%0.125CC..THydrogen-bonded Turntrans52.839.9178.8-59.1-27.9000113.7F157 R186 R189 Y254F157-D252 HydrophobicContact CD1-CB 4.24Å; F157-D252 HydrophobicContact CE1-CB 4.01Å; R186-D252 IonicContact CZ-OD1 2.89Å; R186-D252 IonicContact CZ-OD2 3.73Å; R186-D252 IonicContact NE-OD1 2.98Å; R186-D252 PolarHBondContact NE-OD1 3.17Å; R186-D252 IonicContact NE-OD2 4Å; R186-D252 IonicContact NH2-OD1 2.67Å; R186-D252 PolarHBondContact NH2-OD1 3.2Å; R186-D252 IonicContact NH2-OD2 3.65Å; R189-D252 PolarHBondContact NE-O 3.23Å; D252-Y254 HydrophobicContact CB-CD2 4.37Å; D252-Y254 WeakPolarHBondContact O-CD2 3.45Å; D252-Y254 PolarHBondContact O-N 3.05Å
253N96.6Very high93.1Very high3 Ų328.1 Ų28.12%0.01614%0.135CC..THydrogen-bonded Turntrans6121.4-174.2-162.334000114.6R189 M190 L251 P276 Y498R189-N253 HydrophobicContact CB-CB 4.31Å; R189-N253 PolarHBondContact O-ND2 3.19Å; M190-N253 HydrophobicContact SD-CB 3.75Å; L251-N253 PolarHBondContact O-N 3.48Å; N253-P276 WeakPolarHBondContact O-CD 3.08Å; N253-P276 WeakPolarHBondContact O-CG 3.48Å; N253-Y498 PolarHBondContact ND2-O 3.21Å; N253-Y498 PolarHBondContact OD1-N 3.24Å
254Y97.3Very high92.7Very high9 Ų932.8 Ų32.84%0.03516%0.164CC..EExtended strand (participates in β ladder)trans-102.9139.6166.5-67.3-95.7000109.6V155 F157 H158 R189 I250 L251 D252 Y274 N275V155-Y254 PolarHBondContact O-OH 2.68Å; F157-Y254 HydrophobicContact CB-CE2 4.31Å; F157-Y254 HydrophobicContact CD1-CE2 4.25Å; F157-Y254 PolarHBondContact N-OH 2.89Å; H158-Y254 HydrophobicContact CB-CE1 4.14Å; H158-Y254 HydrophobicContact CB-CE2 4.03Å; H158-Y254 PolarHBondContact N-OH 3.31Å; R189-Y254 VanDerWaalsContact CZ-CZ 3.44Å; R189-Y254 VanDerWaalsContact NE-CE2 3.28Å; R189-Y254 PolarHBondContact NH1-OH 3.26Å; I250-Y254 WeakPolarHBondContact CA-O 3.14Å; L251-Y254 PolarHBondContact N-O 3.26Å; L251-Y254 WeakPolarHBondContact O-CB 3.24Å; L251-Y254 PolarHBondContact O-N 2.96Å; D252-Y254 HydrophobicContact CB-CD2 4.37Å; D252-Y254 WeakPolarHBondContact O-CD2 3.45Å; D252-Y254 PolarHBondContact O-N 3.05Å; Y254-Y274 WeakPolarHBondContact CA-O 3.33Å; Y254-N275 HydrophobicContact CD1-CB 3.91Å; Y254-N275 HydrophobicContact CE1-CB 3.54Å; Y254-N275 VanDerWaalsContact CE1-CG 3.42Å
255L97.5Very high92.1Very high2 Ų231 Ų311%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-91.1115.8169.9166.665000109.2L199 M219 I250 I257 S273 Y274 W281 L493 L497L199-L255 HydrophobicContact CD1-CD2 4.12Å; M219-L255 HydrophobicContact CE-CD2 4.31Å; I250-L255 HydrophobicContact CD1-CB 3.65Å; I250-L255 HydrophobicContact CD1-CD1 3.62Å; I250-L255 HydrophobicContact CD1-CG 4.24Å; L255-I257 HydrophobicContact CD1-CD1 4.08Å; L255-I257 HydrophobicContact CG-CD1 4.32Å; L255-I257 HydrophobicContact CG-CG1 4.45Å; L255-S273 CarbonylContact O-C 3.53Å; L255-S273 WeakPolarHBondContact O-CA 3.45Å; L255-Y274 HydrophobicContact CB-CD1 4.43Å; L255-Y274 PolarHBondContact N-O 2.82Å; L255-Y274 VanDerWaalsContact N-O 3.12Å; L255-Y274 PolarHBondContact O-N 2.8Å; L255-W281 HydrophobicContact CD2-CH2 4.24Å; L255-W281 HydrophobicContact CG-CH2 4.47Å; L255-L493 HydrophobicContact CD1-CD2 4.07Å; L255-L497 HydrophobicContact CB-CD1 4.26Å; L255-L497 HydrophobicContact CB-CD2 4.35Å
256F97.7Very high92.1Very high2 Ų234.5 Ų34.51%0.00918%0.182CC..EExtended strand (participates in β ladder)trans-95.9133175.2-72-97.6000110.7S248 A249 L251 V258 H272 V284 L296 L303 Y317S248-F256 VanDerWaalsContact CA-O 3.25Å; S248-F256 WeakPolarHBondContact CA-O 3.4Å; A249-F256 PolarHBondContact N-O 2.96Å; A249-F256 VanDerWaalsContact N-O 3.15Å; A249-F256 PolarHBondContact O-N 2.67Å; L251-F256 HydrophobicContact CB-CD2 4.13Å; L251-F256 HydrophobicContact CB-CE2 3.85Å; L251-F256 HydrophobicContact CD2-CE2 4.38Å; L251-F256 HydrophobicContact CG-CE2 4.42Å; F256-V258 HydrophobicContact CB-CG2 4.45Å; F256-H272 CarbonylContact C-O 3.56Å; F256-H272 WeakPolarHBondContact CA-O 3.34Å; F256-V284 HydrophobicContact CE1-CG1 4.43Å; F256-V284 HydrophobicContact CE1-CG2 4.42Å; F256-L296 HydrophobicContact CB-CD2 4.22Å; F256-L303 HydrophobicContact CB-CD1 3.79Å; F256-L303 HydrophobicContact CD1-CD1 3.54Å; F256-L303 HydrophobicContact CD2-CD1 3.78Å; F256-L303 HydrophobicContact CE1-CD1 3.99Å; F256-L303 HydrophobicContact CE2-CD1 4.21Å; F256-L303 HydrophobicContact CG-CD1 3.42Å; F256-L303 VanDerWaalsContact CG-CD1 3.42Å; F256-L303 HydrophobicContact CZ-CD1 4.32Å; F256-Y317 HydrophobicContact CE1-CD1 4.44Å; F256-Y317 AromaticContact CE1-CE1 3.87Å; F256-Y317 HydrophobicContact CE1-CE1 3.87Å; F256-Y317 HydrophobicContact CZ-CE1 4.34Å
257I96.5Very high92Very high2 Ų236.6 Ų36.61%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-122122.8169.7-56.7-63.5000108.1L240 Y246 G247 L255 H272 W281 L493L240-I257 HydrophobicContact CD1-CB 3.83Å; L240-I257 HydrophobicContact CD1-CG1 4.42Å; L240-I257 HydrophobicContact CD1-CG2 3.8Å; L240-I257 HydrophobicContact CD2-CB 4.48Å; L240-I257 HydrophobicContact CD2-CG2 3.74Å; L240-I257 HydrophobicContact CG-CG2 4.39Å; Y246-I257 HydrophobicContact CD1-CG2 4.34Å; Y246-I257 HydrophobicContact CD2-CD1 4.05Å; Y246-I257 HydrophobicContact CD2-CG2 3.69Å; Y246-I257 HydrophobicContact CE2-CD1 3.88Å; Y246-I257 HydrophobicContact CE2-CG2 4.27Å; Y246-I257 HydrophobicContact CG-CG2 3.74Å; G247-I257 WeakPolarHBondContact O-CA 3.3Å; L255-I257 HydrophobicContact CD1-CD1 4.08Å; L255-I257 HydrophobicContact CG-CD1 4.32Å; L255-I257 HydrophobicContact CG-CG1 4.45Å; I257-H272 PolarHBondContact N-O 2.88Å; I257-H272 PolarHBondContact O-N 2.99Å; I257-W281 HydrophobicContact CB-CZ3 4.32Å; I257-W281 HydrophobicContact CG1-CH2 3.68Å; I257-W281 HydrophobicContact CG1-CZ3 3.87Å; I257-L493 HydrophobicContact CD1-CD2 3.75Å
258V96.6Very high92Very high0 Ų036.9 Ų36.90%019%0.193CC..EExtended strand (participates in β ladder)trans-133.9135.9-168.9-175.80000110.9Y246 G247 F256 A271 M287 F294 L296 W324Y246-V258 WeakPolarHBondContact CA-O 3.45Å; Y246-V258 WeakPolarHBondContact CB-O 3.37Å; G247-V258 PolarHBondContact N-O 3.12Å; G247-V258 PolarHBondContact O-N 2.7Å; F256-V258 HydrophobicContact CB-CG2 4.45Å; V258-A271 HydrophobicContact CB-CB 4.4Å; V258-A271 HydrophobicContact CG1-CB 4.05Å; V258-A271 HydrophobicContact CG2-CB 3.9Å; V258-M287 HydrophobicContact CG1-CE 3.63Å; V258-M287 HydrophobicContact CG1-CG 3.74Å; V258-M287 HydrophobicContact CG1-SD 3.48Å; V258-M287 WeakPolarHBondContact CG1-SD 3.46Å; V258-F294 HydrophobicContact CB-CZ 4.12Å; V258-F294 HydrophobicContact CG1-CZ 4.09Å; V258-F294 VanDerWaalsContact O-CE1 3.3Å; V258-F294 WeakPolarHBondContact O-CE1 3.42Å; V258-F294 WeakPolarHBondContact O-CZ 3.48Å; V258-L296 HydrophobicContact CB-CD2 4.09Å; V258-L296 HydrophobicContact CG2-CD1 4.43Å; V258-L296 HydrophobicContact CG2-CD2 3.64Å; V258-W324 HydrophobicContact CG1-CH2 4.11Å; V258-W324 HydrophobicContact CG1-CZ2 3.85Å; V258-W324 HydrophobicContact CG2-CH2 4.39Å; V258-W324 HydrophobicContact CG2-CZ2 4.1Å
259G94.9Very high92Very high0 Ų036.7 Ų36.70%019%0.192CC..EExtended strand (participates in β ladder)trans60.8-147.317500000113.3Y246 I268 A270Y246-G259 WeakPolarHBondContact CB-O 3.41Å; G259-I268 VanDerWaalsContact CA-O 3.27Å; G259-I268 WeakPolarHBondContact CA-O 3.28Å; G259-I268 WeakPolarHBondContact O-CG1 3.4Å; G259-A270 PolarHBondContact N-O 3.36Å
260G92.6Very high91.9Very high0 Ų036.5 Ų36.50%019%0.19CC..EExtended strand (participates in β ladder)trans108.7-172.5-17800000112.9R244 E267 I268 R291R244-G260 CarbonylContact O-C 3.52Å; R244-G260 VanDerWaalsContact O-CA 3.32Å; R244-G260 WeakPolarHBondContact O-CA 3.49Å; G260-E267 WeakPolarHBondContact O-CA 3.32Å; G260-I268 PolarHBondContact O-N 3.27Å; G260-R291 PolarHBondContact N-O 2.83Å
261Y89.5Confident91.9Very high85 Ų8533.9 Ų33.933%0.33318%0.177SC..EExtended strand (participates in β ladder)trans-128.4119.9-174.8-175-96.6000109.8R244 S265 E267R244-Y261 PolarHBondContact N-O 3.45Å; R244-Y261 PolarHBondContact O-N 2.77Å; Y261-S265 WeakPolarHBondContact OH-CA 3.46Å; Y261-S265 WeakPolarHBondContact OH-CB 3.48Å; Y261-S265 PolarHBondContact OH-OG 2.91Å; Y261-S265 VanDerWaalsContact OH-OG 3.07Å; Y261-E267 HydrophobicContact CD2-CG 3.77Å; Y261-E267 HydrophobicContact CE2-CG 4.46Å
262R86.4Confident91.9Very high67 Ų6733.8 Ų33.825%0.25318%0.176SC..EExtended strand (participates in β ladder)trans-73.4151.4175.3-70.5-179.8176.5-174.91.3110.5D239 V243 T264 S265 Q266 I268D239-R262 VanDerWaalsContact CG-NH2 3.31Å; D239-R262 PolarHBondContact O-NH2 3.19Å; D239-R262 IonicContact OD1-CZ 2.76Å; D239-R262 IonicContact OD1-NH2 3.81Å; D239-R262 PolarHBondContact OD1-NH2 3.14Å; V243-R262 HydrophobicContact CG2-CG 3.99Å; R262-T264 WeakPolarHBondContact CB-OG1 3.35Å; R262-T264 PolarHBondContact O-N 2.81Å; R262-T264 VanDerWaalsContact O-N 3.1Å; R262-S265 PolarHBondContact O-N 3.47Å; R262-Q266 PolarHBondContact N-O 2.72Å; R262-I268 HydrophobicContact CG-CG2 4.14Å
263I76.9Confident92Very high128 Ų12832.7 Ų32.766%0.65617%0.17SC*.THydrogen-bonded Turntrans-57.6-24.8172.9-161.1163.5000113.3N242 S265N242-I263 HydrophobicContact CB-CG2 4.48Å; I263-S265 PolarHBondContact O-N 3.26Å
264T77.8Confident92Very high101 Ų10132.6 Ų32.662%0.6217%0.17SC*.THydrogen-bonded Turntrans-719.4172.758.40000114R262R262-T264 WeakPolarHBondContact CB-OG1 3.35Å; R262-T264 PolarHBondContact O-N 2.81Å; R262-T264 VanDerWaalsContact O-N 3.1Å
265S77.3Confident91.9Very high82 Ų8232.6 Ų32.657%0.57317%0.171SC*.THydrogen-bonded Turntrans6737.2-179.7-58.80000115.6Y261 R262 I263Y261-S265 WeakPolarHBondContact OH-CA 3.46Å; Y261-S265 WeakPolarHBondContact OH-CB 3.48Å; Y261-S265 PolarHBondContact OH-OG 2.91Å; Y261-S265 VanDerWaalsContact OH-OG 3.07Å; R262-S265 PolarHBondContact O-N 3.47Å; I263-S265 PolarHBondContact O-N 3.26Å
266Q86.8Confident91.8Very high90 Ų9032.9 Ų32.942%0.42117%0.172SC..EExtended strand (participates in β ladder)trans-123.4121.4-178.6-177.8175.4-200111R262R262-Q266 PolarHBondContact N-O 2.72Å
267E91.4Very high91.7Very high60 Ų6034.5 Ų34.528%0.2818%0.184SC..EExtended strand (participates in β ladder)trans-69.6144.1165.4-67-170.8129.800110.8G260 Y261 K290 S292G260-E267 WeakPolarHBondContact O-CA 3.32Å; Y261-E267 HydrophobicContact CD2-CG 3.77Å; Y261-E267 HydrophobicContact CE2-CG 4.46Å; E267-K290 HydrophobicContact CB-CB 3.88Å; E267-K290 VanDerWaalsContact O-CD 3.28Å; E267-K290 WeakPolarHBondContact O-CD 3.24Å; E267-S292 WeakPolarHBondContact OE1-CB 3.33Å; E267-S292 PolarHBondContact OE1-N 3Å; E267-S292 PolarHBondContact OE1-OG 3.09Å
268I93.4Very high91.5Very high9 Ų936.5 Ų36.55%0.04620%0.196CC..EExtended strand (participates in β ladder)trans-123.7158179.762.5174.2000111.1V243 G259 G260 R262 R291V243-I268 HydrophobicContact CG1-CD1 4.07Å; V243-I268 HydrophobicContact CG2-CD1 3.95Å; G259-I268 VanDerWaalsContact CA-O 3.27Å; G259-I268 WeakPolarHBondContact CA-O 3.28Å; G259-I268 WeakPolarHBondContact O-CG1 3.4Å; G260-I268 PolarHBondContact O-N 3.27Å; R262-I268 HydrophobicContact CG-CG2 4.14Å; I268-R291 PolarHBondContact O-N 3.5Å
269S94.8Very high91.4Very high26 Ų2639.2 Ų39.218%0.18221%0.211CC..EExtended strand (participates in β ladder)trans-114.7-1175.153.10000112.6S286 M287S269-S286 WeakPolarHBondContact O-CA 3.02Å; S269-S286 WeakPolarHBondContact O-CB 3.13Å; S269-M287 VanDerWaalsContact CB-O 3.3Å; S269-M287 WeakPolarHBondContact CB-O 3.28Å; S269-M287 PolarHBondContact O-N 3.39Å
270A95.5Very high91.4Very high9 Ų944.6 Ų44.67%0.07424%0.236CC..EExtended strand (participates in β ladder)trans-59.2142.6-178.900000110.9G259G259-A270 PolarHBondContact N-O 3.36Å
271A97.1Very high91.6Very high0 Ų046.3 Ų46.30%024%0.243CC..EExtended strand (participates in β ladder)trans-130.2134-179.900000108.8V258 V284 A285V258-A271 HydrophobicContact CB-CB 4.4Å; V258-A271 HydrophobicContact CG1-CB 4.05Å; V258-A271 HydrophobicContact CG2-CB 3.9Å; A271-V284 HydrophobicContact CB-CG2 3.48Å; A271-V284 VanDerWaalsContact CB-CG2 3.48Å; A271-V284 PolarHBondContact O-N 3.21Å; A271-A285 WeakPolarHBondContact CB-O 3.11Å
272H97.3Very high91.8Very high8 Ų845.5 Ų45.54%0.03724%0.244CC..EExtended strand (participates in β ladder)trans-131.8144.2177.9-60.880.9000110.1P237 L240 F256 I257 W281 L282P237-H272 HydrophobicContact CG-CB 4.3Å; L240-H272 HydrophobicContact CD1-CB 3.96Å; F256-H272 CarbonylContact C-O 3.56Å; F256-H272 WeakPolarHBondContact CA-O 3.34Å; I257-H272 PolarHBondContact N-O 2.88Å; I257-H272 PolarHBondContact O-N 2.99Å; H272-W281 HydrophobicContact CB-CE3 3.78Å; H272-W281 HydrophobicContact CB-CZ3 4.15Å; H272-L282 CarbonylContact C-O 3.46Å; H272-L282 VanDerWaalsContact CA-O 3.28Å; H272-L282 WeakPolarHBondContact CA-O 3.47Å
273S97.3Very high92.3Very high3 Ų347.8 Ų47.82%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-117.1126.5174.2630000110.1L255 W281 L282L255-S273 CarbonylContact O-C 3.53Å; L255-S273 WeakPolarHBondContact O-CA 3.45Å; S273-W281 WeakPolarHBondContact O-CA 3.32Å; S273-L282 PolarHBondContact N-O 2.84Å; S273-L282 PolarHBondContact O-N 2.79Å
274Y97.4Very high93.3Very high1 Ų141.9 Ų41.90%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-92129.3171.5174.4-106.2000110.7M219 Y254 L255 P276 N279 E280 W281 L497M219-Y274 HydrophobicContact CE-CD1 3.74Å; M219-Y274 HydrophobicContact CE-CD2 4.31Å; M219-Y274 HydrophobicContact CE-CE1 3.58Å; M219-Y274 HydrophobicContact CE-CE2 4.17Å; M219-Y274 HydrophobicContact CE-CG 4.09Å; M219-Y274 HydrophobicContact SD-CD2 4.18Å; M219-Y274 HydrophobicContact SD-CE1 4.5Å; M219-Y274 HydrophobicContact SD-CE2 4.02Å; M219-Y274 HydrophobicContact SD-CG 4.46Å; Y254-Y274 WeakPolarHBondContact CA-O 3.33Å; L255-Y274 HydrophobicContact CB-CD1 4.43Å; L255-Y274 PolarHBondContact N-O 2.82Å; L255-Y274 VanDerWaalsContact N-O 3.12Å; L255-Y274 PolarHBondContact O-N 2.8Å; Y274-P276 HydrophobicContact CE1-CB 4.14Å; Y274-N279 WeakPolarHBondContact CE2-OD1 3.32Å; Y274-N279 PolarHBondContact OH-OD1 2.95Å; Y274-E280 WeakPolarHBondContact CA-O 3.47Å; Y274-W281 AromaticContact CD2-CD1 3.78Å; Y274-W281 HydrophobicContact CD2-CD2 4.03Å; Y274-W281 AromaticContact CD2-CE2 3.65Å; Y274-W281 HydrophobicContact CD2-CG 4.13Å; Y274-W281 HydrophobicContact CD2-CZ2 4.16Å; Y274-W281 AromaticContact CD2-NE1 3.46Å; Y274-W281 HydrophobicContact CG-CD2 4.32Å; Y274-W281 AromaticContact CG-CE2 3.98Å; Y274-W281 HydrophobicContact CG-CH2 4.5Å; Y274-W281 HydrophobicContact CG-CZ2 4.09Å; Y274-L497 HydrophobicContact CD1-CD1 4.11Å; Y274-L497 HydrophobicContact CE1-CD1 4.13Å
275N96.4Very high94.2Very high10 Ų1038.3 Ų38.35%0.05321%0.208CC..EExtended strand (participates in β ladder)trans-100.1110.4174.9-168.91.5000110.5V155 R189 Y254 S277 T278 N279 E280V155-N275 PolarHBondContact O-ND2 2.87Å; R189-N275 PolarHBondContact NH1-OD1 2.72Å; R189-N275 PolarHBondContact NH2-OD1 2.86Å; Y254-N275 HydrophobicContact CD1-CB 3.91Å; Y254-N275 HydrophobicContact CE1-CB 3.54Å; Y254-N275 VanDerWaalsContact CE1-CG 3.42Å; N275-S277 PolarHBondContact O-N 2.99Å; N275-S277 WeakPolarHBondContact OD1-CB 3.33Å; N275-S277 PolarHBondContact OD1-N 2.83Å; N275-S277 PolarHBondContact OD1-OG 2.81Å; N275-T278 PolarHBondContact ND2-OG1 3.29Å; N275-T278 PolarHBondContact O-N 2.8Å; N275-N279 WeakPolarHBondContact O-CA 3.47Å; N275-N279 PolarHBondContact O-N 2.85Å; N275-E280 PolarHBondContact N-O 3Å; N275-E280 PolarHBondContact O-N 2.87Å
276P95.3Very high95.2Very high7 Ų736.9 Ų36.95%0.04520%0.198CC..THydrogen-bonded Turntrans-66.3-19177.226.9-34.1000113.2N253 Y274 L499 P500N253-P276 WeakPolarHBondContact O-CD 3.08Å; N253-P276 WeakPolarHBondContact O-CG 3.48Å; Y274-P276 HydrophobicContact CE1-CB 4.14Å; P276-L499 HydrophobicContact CB-CD2 3.64Å; P276-P500 VanDerWaalsContact O-CD 3.28Å; P276-P500 WeakPolarHBondContact O-CD 3.26Å
277S93.9Very high95.7Very high37 Ų3732.9 Ų32.926%0.25918%0.179SC..THydrogen-bonded Turntrans-72.8-41.2179.5-55.20000113R189 N275R189-S277 PolarHBondContact NH1-OG 2.87Å; N275-S277 PolarHBondContact O-N 2.99Å; N275-S277 WeakPolarHBondContact OD1-CB 3.33Å; N275-S277 PolarHBondContact OD1-N 2.83Å; N275-S277 PolarHBondContact OD1-OG 2.81Å
278T93.6Very high95.9Very high43 Ų4334.6 Ų34.626%0.26419%0.19SC..THydrogen-bonded Turntrans-100.3-9.8178.360.60000112.8V155 N275 E280V155-T278 HydrophobicContact CG1-CG2 3.37Å; N275-T278 PolarHBondContact ND2-OG1 3.29Å; N275-T278 PolarHBondContact O-N 2.8Å; T278-E280 VanDerWaalsContact C-N 3.27Å; T278-E280 PolarHBondContact O-N 2.86Å; T278-E280 WeakPolarHBondContact OG1-CB 3.39Å; T278-E280 PolarHBondContact OG1-OE2 3.12Å
279N93.7Very high95.9Very high58 Ų5836.9 Ų36.931%0.3120%0.201SC..THydrogen-bonded Turntrans57.638.8-170.1-16929.1000112.4A233 N235 Y274 N275A233-N279 VanDerWaalsContact CB-OD1 3.26Å; A233-N279 WeakPolarHBondContact CB-OD1 3.36Å; N235-N279 PolarHBondContact ND2-O 2.84Å; Y274-N279 WeakPolarHBondContact CE2-OD1 3.32Å; Y274-N279 PolarHBondContact OH-OD1 2.95Å; N275-N279 WeakPolarHBondContact O-CA 3.47Å; N275-N279 PolarHBondContact O-N 2.85Å
280E94.4Very high95.9Very high113 Ų11340.5 Ų40.553%0.52821%0.213SC..EExtended strand (participates in β ladder)trans-125.9154.1-176.7-66.5173.4149.100112Y274 N275 T278Y274-E280 WeakPolarHBondContact CA-O 3.47Å; N275-E280 PolarHBondContact N-O 3Å; N275-E280 PolarHBondContact O-N 2.87Å; T278-E280 VanDerWaalsContact C-N 3.27Å; T278-E280 PolarHBondContact O-N 2.86Å; T278-E280 WeakPolarHBondContact OG1-CB 3.39Å; T278-E280 PolarHBondContact OG1-OE2 3.12Å
281W96.4Very high95.7Very high36 Ų3640.2 Ų40.214%0.13621%0.21CC..EExtended strand (participates in β ladder)trans-102.2137.8171.3-70.488000110.2L199 M219 L236 P237 L240 L255 I257 H272 S273 Y274L199-W281 HydrophobicContact CD1-CH2 3.69Å; L199-W281 HydrophobicContact CD1-CZ2 3.58Å; M219-W281 HydrophobicContact CE-CZ2 4.38Å; M219-W281 HydrophobicContact SD-CZ2 3.73Å; L236-W281 HydrophobicContact CD1-CH2 4.48Å; L236-W281 HydrophobicContact CD1-CZ2 3.95Å; P237-W281 HydrophobicContact CG-CB 3.58Å; P237-W281 HydrophobicContact CG-CD2 3.91Å; P237-W281 HydrophobicContact CG-CE3 4.17Å; P237-W281 HydrophobicContact CG-CG 3.69Å; L240-W281 HydrophobicContact CD1-CZ3 4.21Å; L255-W281 HydrophobicContact CD2-CH2 4.24Å; L255-W281 HydrophobicContact CG-CH2 4.47Å; I257-W281 HydrophobicContact CB-CZ3 4.32Å; I257-W281 HydrophobicContact CG1-CH2 3.68Å; I257-W281 HydrophobicContact CG1-CZ3 3.87Å; H272-W281 HydrophobicContact CB-CE3 3.78Å; H272-W281 HydrophobicContact CB-CZ3 4.15Å; S273-W281 WeakPolarHBondContact O-CA 3.32Å; Y274-W281 AromaticContact CD2-CD1 3.78Å; Y274-W281 HydrophobicContact CD2-CD2 4.03Å; Y274-W281 AromaticContact CD2-CE2 3.65Å; Y274-W281 HydrophobicContact CD2-CG 4.13Å; Y274-W281 HydrophobicContact CD2-CZ2 4.16Å; Y274-W281 AromaticContact CD2-NE1 3.46Å; Y274-W281 HydrophobicContact CG-CD2 4.32Å; Y274-W281 AromaticContact CG-CE2 3.98Å; Y274-W281 HydrophobicContact CG-CH2 4.5Å; Y274-W281 HydrophobicContact CG-CZ2 4.09Å
282L95.4Very high95.5Very high68 Ų6840.2 Ų40.236%0.35621%0.21SC..EExtended strand (participates in β ladder)trans-118.4135.1172-171113000109E159 H272 S273 V284E159-L282 HydrophobicContact CG-CD1 4.34Å; H272-L282 CarbonylContact C-O 3.46Å; H272-L282 VanDerWaalsContact CA-O 3.28Å; H272-L282 WeakPolarHBondContact CA-O 3.47Å; S273-L282 PolarHBondContact N-O 2.84Å; S273-L282 PolarHBondContact O-N 2.79Å; L282-V284 HydrophobicContact CD2-CG1 3.87Å
283Q96.4Very high95.2Very high114 Ų11444.3 Ų44.353%0.53323%0.233SC..EExtended strand (participates in β ladder)trans-78.1125.1168.2-174.61755.200108.6
284V97.1Very high95Very high5 Ų544.5 Ų44.53%0.0323%0.233CC..EExtended strand (participates in β ladder)trans-104.5175.6174.7-59.80000109.6H158 F256 A271 L282 S286H158-V284 WeakPolarHBondContact NE2-CG1 3.15Å; F256-V284 HydrophobicContact CE1-CG1 4.43Å; F256-V284 HydrophobicContact CE1-CG2 4.42Å; A271-V284 HydrophobicContact CB-CG2 3.48Å; A271-V284 VanDerWaalsContact CB-CG2 3.48Å; A271-V284 PolarHBondContact O-N 3.21Å; L282-V284 HydrophobicContact CD2-CG1 3.87Å; V284-S286 PolarHBondContact O-N 3.45Å
285A97.6Very high94.9Very high25 Ų2546.5 Ų46.521%0.20724%0.242CC..PPolyproline II helixtrans-52.1134.3178.400000111.9A271 Y317 D322 W324A271-A285 WeakPolarHBondContact CB-O 3.11Å; A285-Y317 HydrophobicContact CB-CE2 4.41Å; A285-D322 WeakPolarHBondContact CB-O 3.25Å; A285-D322 VanDerWaalsContact CB-OD1 3.23Å; A285-D322 WeakPolarHBondContact CB-OD1 3.32Å; A285-D322 PolarHBondContact N-OD1 2.9Å; A285-W324 VanDerWaalsContact O-CD1 3.24Å; A285-W324 PolarHBondContact O-NE1 3.48Å
286S97.6Very high95Very high52 Ų5246.7 Ų46.736%0.36424%0.243SC..PPolyproline II helixtrans-74.3149.7178-62.90000110.6S269 V284S269-S286 WeakPolarHBondContact O-CA 3.02Å; S269-S286 WeakPolarHBondContact O-CB 3.13Å; V284-S286 PolarHBondContact O-N 3.45Å
287M97.2Very high95.1Very high6 Ų646.8 Ų46.83%0.0324%0.243CC..PPolyproline II helixtrans-58.8152.8171.4-64.9-177-63.800110.8V258 S269 Q289 R291 F294 A305 W324V258-M287 HydrophobicContact CG1-CE 3.63Å; V258-M287 HydrophobicContact CG1-CG 3.74Å; V258-M287 HydrophobicContact CG1-SD 3.48Å; V258-M287 WeakPolarHBondContact CG1-SD 3.46Å; S269-M287 VanDerWaalsContact CB-O 3.3Å; S269-M287 WeakPolarHBondContact CB-O 3.28Å; S269-M287 PolarHBondContact O-N 3.39Å; M287-Q289 VanDerWaalsContact C-N 3.26Å; M287-Q289 WeakPolarHBondContact CB-O 3.41Å; M287-Q289 PolarHBondContact O-N 3.29Å; M287-R291 HydrophobicContact CE-CB 4.14Å; M287-R291 HydrophobicContact CE-CG 4.38Å; M287-F294 HydrophobicContact CE-CE1 4.37Å; M287-F294 HydrophobicContact CE-CZ 4.15Å; M287-F294 HydrophobicContact SD-CE2 4.48Å; M287-F294 HydrophobicContact SD-CZ 4.26Å; M287-A305 HydrophobicContact SD-CB 3.73Å; M287-W324 HydrophobicContact CG-CD2 3.83Å; M287-W324 HydrophobicContact CG-CE3 4.14Å; M287-W324 HydrophobicContact CG-CG 4.31Å; M287-W324 HydrophobicContact CG-CH2 4.24Å; M287-W324 HydrophobicContact CG-CZ2 3.95Å; M287-W324 HydrophobicContact CG-CZ3 4.34Å
288N96.4Very high95.3Very high97 Ų9746.4 Ų46.452%0.51924%0.242SC..SBendtrans-67.8-31.2174.5-59.4-80.4000111.2E315 W324 F326N288-E315 VanDerWaalsContact CB-OE2 3.26Å; N288-E315 WeakPolarHBondContact CB-OE2 3.48Å; N288-E315 PolarHBondContact N-OE2 2.76Å; N288-E315 PolarHBondContact ND2-OE2 2.89Å; N288-W324 WeakPolarHBondContact ND2-CB 3.46Å; N288-W324 PolarHBondContact ND2-O 3.05Å; N288-F326 HydrophobicContact CB-CE2 3.67Å; N288-F326 HydrophobicContact CB-CZ 3.59Å
289Q93.5Very high95.5Very high57 Ų5744.5 Ų44.527%0.26623%0.23SC..SBendtrans-121.5135.4178.1-167.6175-1600111.4M287 N313 E315M287-Q289 VanDerWaalsContact C-N 3.26Å; M287-Q289 WeakPolarHBondContact CB-O 3.41Å; M287-Q289 PolarHBondContact O-N 3.29Å; Q289-N313 PolarHBondContact OE1-ND2 3.44Å; Q289-E315 WeakPolarHBondContact CB-OE1 3.36Å; Q289-E315 PolarHBondContact N-OE1 3.13Å
290K93.4Very high95.4Very high102 Ų10247.5 Ų47.544%0.44324%0.242SC..  trans-67.7137.1170.9-65.5166.5168.5179.80109.8E267E267-K290 HydrophobicContact CB-CB 3.88Å; E267-K290 VanDerWaalsContact O-CD 3.28Å; E267-K290 WeakPolarHBondContact O-CD 3.24Å
291R92.2Very high95.4Very high2 Ų243.5 Ų43.51%0.00823%0.227CC..  trans-149.6142.6-174.3-59.9170.4-172.6-133.40.4111.1G260 I268 M287 F294 A305 G307 N313 E315G260-R291 PolarHBondContact N-O 2.83Å; I268-R291 PolarHBondContact O-N 3.5Å; M287-R291 HydrophobicContact CE-CB 4.14Å; M287-R291 HydrophobicContact CE-CG 4.38Å; R291-F294 HydrophobicContact CB-CD1 3.73Å; R291-F294 HydrophobicContact CB-CE1 4.09Å; R291-F294 HydrophobicContact CB-CG 4.22Å; R291-A305 PolarHBondContact NH1-O 3.41Å; R291-A305 VanDerWaalsContact NH1-O 3.09Å; R291-G307 PolarHBondContact NH1-O 2.85Å; R291-N313 PolarHBondContact NH1-O 3.31Å; R291-E315 IonicContact CZ-OE1 2.68Å; R291-E315 VanDerWaalsContact CZ-OE1 3.25Å; R291-E315 IonicContact NE-OE1 3.77Å; R291-E315 PolarHBondContact NE-OE1 2.9Å; R291-E315 VanDerWaalsContact NE-OE1 3.12Å; R291-E315 VanDerWaalsContact NH2-CG 3.28Å; R291-E315 IonicContact NH2-OE1 3.13Å; R291-E315 PolarHBondContact NH2-OE1 2.92Å
292S92.4Very high95.5Very high0 Ų045.3 Ų45.30%024%0.236CC..SBendtrans-131.4160.116868.40000111.3E267 F294 G308 Q309E267-S292 WeakPolarHBondContact OE1-CB 3.33Å; E267-S292 PolarHBondContact OE1-N 3Å; E267-S292 PolarHBondContact OE1-OG 3.09Å; S292-F294 PolarHBondContact O-N 2.75Å; S292-G308 CarbonylContact O-C 3.53Å; S292-G308 VanDerWaalsContact O-CA 3.27Å; S292-G308 WeakPolarHBondContact O-CA 3.38Å; S292-Q309 PolarHBondContact O-N 2.79Å; S292-Q309 PolarHBondContact OG-OE1 2.6Å
293N90.6Very high95.6Very high95 Ų9542.1 Ų42.151%0.50822%0.219SC..SBendtrans54.733.7179-59.3-57.5000114G245G245-N293 PolarHBondContact O-N 3.17Å
294F94.4Very high95.7Very high6 Ų637.1 Ų37.13%0.02620%0.195CC..  trans-99.7178.7179.873.1-84000111.1V258 M287 R291 S292 L296 A305 I306 G307V258-F294 HydrophobicContact CB-CZ 4.12Å; V258-F294 HydrophobicContact CG1-CZ 4.09Å; V258-F294 VanDerWaalsContact O-CE1 3.3Å; V258-F294 WeakPolarHBondContact O-CE1 3.42Å; V258-F294 WeakPolarHBondContact O-CZ 3.48Å; M287-F294 HydrophobicContact CE-CE1 4.37Å; M287-F294 HydrophobicContact CE-CZ 4.15Å; M287-F294 HydrophobicContact SD-CE2 4.48Å; M287-F294 HydrophobicContact SD-CZ 4.26Å; R291-F294 HydrophobicContact CB-CD1 3.73Å; R291-F294 HydrophobicContact CB-CE1 4.09Å; R291-F294 HydrophobicContact CB-CG 4.22Å; S292-F294 PolarHBondContact O-N 2.75Å; F294-L296 HydrophobicContact CE2-CB 4.22Å; F294-L296 HydrophobicContact CE2-CD1 4.34Å; F294-A305 HydrophobicContact CD2-CB 4Å; F294-A305 HydrophobicContact CE2-CB 3.67Å; F294-I306 WeakPolarHBondContact CB-O 3.43Å; F294-G307 VanDerWaalsContact CB-O 3.27Å; F294-G307 WeakPolarHBondContact CB-O 3.27Å
295K95.5Very high95.8Very high44 Ų4436.9 Ų36.919%0.19119%0.194CC..EExtended strand (participates in β ladder)trans-113.2133.3173.4-61.5-60.4174.1-167.90111I306 F337 A339K295-I306 PolarHBondContact N-O 3.23Å; K295-I306 VanDerWaalsContact N-O 3.13Å; K295-I306 PolarHBondContact O-N 3.26Å; K295-F337 HydrophobicContact CB-CE2 3.96Å; K295-F337 HydrophobicContact CB-CZ 4.35Å; K295-F337 WeakPolarHBondContact CE-O 3.27Å; K295-F337 HydrophobicContact CG-CD2 4.01Å; K295-F337 HydrophobicContact CG-CE2 3.49Å; K295-F337 VanDerWaalsContact CG-CE2 3.49Å; K295-F337 HydrophobicContact CG-CZ 3.98Å; K295-A339 HydrophobicContact CB-CB 3.83Å; K295-A339 HydrophobicContact CG-CB 4.02Å
296L97.7Very high95.8Very high14 Ų1435.7 Ų35.77%0.07318%0.184CC..EExtended strand (participates in β ladder)trans-107.6124173-17068.6000108A249 F256 V258 F294 L303 Y304 A305 W324A249-L296 HydrophobicContact CB-CB 4.29Å; A249-L296 HydrophobicContact CB-CD2 3.82Å; A249-L296 HydrophobicContact CB-CG 3.78Å; F256-L296 HydrophobicContact CB-CD2 4.22Å; V258-L296 HydrophobicContact CB-CD2 4.09Å; V258-L296 HydrophobicContact CG2-CD1 4.43Å; V258-L296 HydrophobicContact CG2-CD2 3.64Å; F294-L296 HydrophobicContact CE2-CB 4.22Å; F294-L296 HydrophobicContact CE2-CD1 4.34Å; L296-L303 HydrophobicContact CD1-CB 4.03Å; L296-Y304 WeakPolarHBondContact CA-O 3.34Å; L296-A305 HydrophobicContact CD1-CB 4.2Å; L296-W324 HydrophobicContact CD1-CH2 3.87Å; L296-W324 HydrophobicContact CD1-CZ3 4.49Å
297V97.9Very high95.5Very high9 Ų933.2 Ų33.26%0.05517%0.167CC..EExtended strand (participates in β ladder)trans-130.4131.3-176.2-177.90000109.6V299 L303 Y304 I306 A339 E341 I346V297-V299 HydrophobicContact CG1-CG2 3.82Å; V297-L303 CarbonylContact O-C 3.58Å; V297-L303 WeakPolarHBondContact O-CA 3.39Å; V297-Y304 PolarHBondContact N-O 3.28Å; V297-Y304 PolarHBondContact O-N 2.9Å; V297-I306 HydrophobicContact CB-CD1 4.34Å; V297-I306 HydrophobicContact CG2-CD1 3.91Å; V297-A339 HydrophobicContact CG2-CB 3.91Å; V297-E341 HydrophobicContact CG1-CB 3.81Å; V297-I346 HydrophobicContact CG1-CG1 4.28Å; V297-I346 HydrophobicContact CG2-CG2 4.49Å
298A97.8Very high94.9Very high28 Ų2833 Ų3323%0.23117%0.166CC..EExtended strand (participates in β ladder)trans-90123.3174.200000110.4I250 L251 K302 L303I250-A298 VanDerWaalsContact O-CB 3.26Å; I250-A298 WeakPolarHBondContact O-CB 3.42Å; L251-A298 HydrophobicContact CB-CB 4.25Å; A298-K302 CarbonylContact C-O 3.53Å; A298-K302 WeakPolarHBondContact CA-O 3.27Å; A298-L303 HydrophobicContact CB-CD2 3.71Å
299V97Very high93.9Very high3 Ų334 Ų342%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-142.2135.5176.3-167.40000110.2V297 S301 K302 Y304 E341 G344 I346 P366V297-V299 HydrophobicContact CG1-CG2 3.82Å; V299-S301 PolarHBondContact O-N 3.28Å; V299-S301 VanDerWaalsContact O-N 3.14Å; V299-K302 PolarHBondContact N-O 2.94Å; V299-K302 PolarHBondContact O-N 2.82Å; V299-Y304 HydrophobicContact CB-CD2 4.21Å; V299-Y304 HydrophobicContact CB-CE2 3.91Å; V299-Y304 HydrophobicContact CG2-CD2 4.21Å; V299-Y304 HydrophobicContact CG2-CE2 4.38Å; V299-E341 HydrophobicContact CB-CG 4.1Å; V299-E341 HydrophobicContact CG1-CG 3.87Å; V299-E341 HydrophobicContact CG2-CB 3.83Å; V299-E341 HydrophobicContact CG2-CG 3.54Å; V299-G344 WeakPolarHBondContact CG1-O 3.27Å; V299-I346 HydrophobicContact CG2-CD1 3.8Å; V299-I346 HydrophobicContact CG2-CG1 3.4Å; V299-I346 VanDerWaalsContact CG2-CG1 3.4Å; V299-P366 HydrophobicContact CG1-CG 3.96Å
300H93.6Very high92.8Very high121 Ų12134.7 Ų34.756%0.5618%0.183SC*.THydrogen-bonded Turntrans4744.2176.4-61.8138.6000114K302 G344H300-K302 VanDerWaalsContact C-N 3.3Å; H300-K302 PolarHBondContact O-N 2.84Å; H300-G344 VanDerWaalsContact CE1-CA 3.46Å; H300-G344 WeakPolarHBondContact CE1-CA 3.28Å; H300-G344 PolarHBondContact CE1-O 2.89Å; H300-G344 WeakPolarHBondContact NE2-CA 3.39Å
301S94Very high92.4Very high30 Ų3031.2 Ų31.221%0.2117%0.17CC..THydrogen-bonded Turntrans69.818.8179.2-250000115.6R186 V299 P319R186-S301 VanDerWaalsContact CZ-OG 3.28Å; R186-S301 PolarHBondContact NH1-OG 3.41Å; R186-S301 PolarHBondContact NH2-OG 2.89Å; V299-S301 PolarHBondContact O-N 3.28Å; V299-S301 VanDerWaalsContact O-N 3.14Å; S301-P319 WeakPolarHBondContact O-CD 3.31Å
302K97.7Very high92.5Very high74 Ų7432.6 Ų32.632%0.32218%0.18SC..EExtended strand (participates in β ladder)trans-130.4161177.4-63.9-170.9-175.6-178.10110.2A298 V299 H300 Y304 C316 Y317A298-K302 CarbonylContact C-O 3.53Å; A298-K302 WeakPolarHBondContact CA-O 3.27Å; V299-K302 PolarHBondContact N-O 2.94Å; V299-K302 PolarHBondContact O-N 2.82Å; H300-K302 VanDerWaalsContact C-N 3.3Å; H300-K302 PolarHBondContact O-N 2.84Å; K302-Y304 HydrophobicContact CB-CE2 3.99Å; K302-C316 VanDerWaalsContact CD-SG 3.53Å; K302-Y317 WeakPolarHBondContact CA-O 3.45Å; K302-Y317 VanDerWaalsContact CB-O 3.31Å; K302-Y317 WeakPolarHBondContact CB-O 3.33Å
303L98.6Very high92.6Very high0 Ų035.3 Ų35.30%020%0.195CC..EExtended strand (participates in β ladder)trans-108.7140.8174-54.9172.5000110.5A249 L251 F256 L296 V297 A298 C316 Y317 W324A249-L303 HydrophobicContact CB-CD2 3.94Å; L251-L303 HydrophobicContact CB-CD2 3.76Å; L251-L303 HydrophobicContact CD2-CD2 3.86Å; L251-L303 HydrophobicContact CD2-CG 3.83Å; L251-L303 HydrophobicContact CG-CD2 4.41Å; F256-L303 HydrophobicContact CB-CD1 3.79Å; F256-L303 HydrophobicContact CD1-CD1 3.54Å; F256-L303 HydrophobicContact CD2-CD1 3.78Å; F256-L303 HydrophobicContact CE1-CD1 3.99Å; F256-L303 HydrophobicContact CE2-CD1 4.21Å; F256-L303 HydrophobicContact CG-CD1 3.42Å; F256-L303 VanDerWaalsContact CG-CD1 3.42Å; F256-L303 HydrophobicContact CZ-CD1 4.32Å; L296-L303 HydrophobicContact CD1-CB 4.03Å; V297-L303 CarbonylContact O-C 3.58Å; V297-L303 WeakPolarHBondContact O-CA 3.39Å; A298-L303 HydrophobicContact CB-CD2 3.71Å; L303-C316 CarbonylContact O-C 3.5Å; L303-C316 VanDerWaalsContact O-CA 3.24Å; L303-C316 WeakPolarHBondContact O-CA 3.45Å; L303-Y317 HydrophobicContact CD1-CD1 3.93Å; L303-Y317 HydrophobicContact CG-CD1 4.3Å; L303-Y317 PolarHBondContact N-O 2.93Å; L303-Y317 PolarHBondContact O-N 3.47Å; L303-W324 HydrophobicContact CB-CH2 4.37Å
304Y98.6Very high93Very high10 Ų1030.9 Ų30.94%0.03917%0.171CC..EExtended strand (participates in β ladder)trans-118.3115.3177.9-65.9-96.9000109.4L296 V297 V299 K302 V314 E315 C316 V327 I346 Y364L296-Y304 WeakPolarHBondContact CA-O 3.34Å; V297-Y304 PolarHBondContact N-O 3.28Å; V297-Y304 PolarHBondContact O-N 2.9Å; V299-Y304 HydrophobicContact CB-CD2 4.21Å; V299-Y304 HydrophobicContact CB-CE2 3.91Å; V299-Y304 HydrophobicContact CG2-CD2 4.21Å; V299-Y304 HydrophobicContact CG2-CE2 4.38Å; K302-Y304 HydrophobicContact CB-CE2 3.99Å; Y304-V314 HydrophobicContact CD1-CG1 4.45Å; Y304-E315 CarbonylContact C-O 3.55Å; Y304-E315 VanDerWaalsContact CA-O 3.32Å; Y304-E315 WeakPolarHBondContact CA-O 3.48Å; Y304-C316 HydrophobicContact CD1-CB 4Å; Y304-C316 HydrophobicContact CE1-CB 3.78Å; Y304-V327 HydrophobicContact CD1-CG2 4.36Å; Y304-V327 HydrophobicContact CE1-CG2 4.5Å; Y304-I346 HydrophobicContact CD1-CD1 4.04Å; Y304-I346 HydrophobicContact CD2-CD1 3.76Å; Y304-I346 HydrophobicContact CE2-CD1 4.44Å; Y304-I346 HydrophobicContact CG-CD1 3.54Å; Y304-Y364 HydrophobicContact CD1-CE1 4.05Å; Y304-Y364 AromaticContact CE1-CE1 3.66Å; Y304-Y364 HydrophobicContact CE1-CE1 3.66Å
305A97.8Very high93.2Very high0 Ų030.6 Ų30.60%017%0.17CC..EExtended strand (participates in β ladder)trans-89.6106.7170.800000108.5M287 R291 F294 L296 V314 E315 W324M287-A305 HydrophobicContact SD-CB 3.73Å; R291-A305 PolarHBondContact NH1-O 3.41Å; R291-A305 VanDerWaalsContact NH1-O 3.09Å; F294-A305 HydrophobicContact CD2-CB 4Å; F294-A305 HydrophobicContact CE2-CB 3.67Å; L296-A305 HydrophobicContact CD1-CB 4.2Å; A305-V314 WeakPolarHBondContact O-CA 3.5Å; A305-E315 HydrophobicContact CB-CB 4.49Å; A305-E315 PolarHBondContact N-O 2.85Å; A305-E315 PolarHBondContact O-N 2.85Å; A305-W324 HydrophobicContact CB-CH2 4.13Å; A305-W324 HydrophobicContact CB-CZ3 3.65Å
306I97.2Very high93.3Very high0 Ų028.9 Ų28.90%016%0.163CC..EExtended strand (participates in β ladder)trans-108122.8-169-55.4163.2000108.9F294 K295 V297 V314 L330 F337 A339 I346 V348 W371F294-I306 WeakPolarHBondContact CB-O 3.43Å; K295-I306 PolarHBondContact N-O 3.23Å; K295-I306 VanDerWaalsContact N-O 3.13Å; K295-I306 PolarHBondContact O-N 3.26Å; V297-I306 HydrophobicContact CB-CD1 4.34Å; V297-I306 HydrophobicContact CG2-CD1 3.91Å; I306-V314 HydrophobicContact CG1-CG1 3.98Å; I306-V314 HydrophobicContact CG2-CG2 4.19Å; I306-L330 HydrophobicContact CG2-CD1 3.92Å; I306-L330 HydrophobicContact CG2-CD2 4.16Å; I306-L330 HydrophobicContact CG2-CG 4.15Å; I306-F337 HydrophobicContact CG2-CE2 4.06Å; I306-F337 HydrophobicContact CG2-CZ 4.11Å; I306-F337 WeakPolarHBondContact O-CZ 3.46Å; I306-A339 HydrophobicContact CD1-CB 4.23Å; I306-I346 HydrophobicContact CD1-CD1 4.13Å; I306-I346 HydrophobicContact CD1-CG2 3.6Å; I306-V348 HydrophobicContact CG2-CG2 4.3Å; I306-W371 HydrophobicContact CG2-CH2 4.31Å; I306-W371 HydrophobicContact CG2-CZ2 4.36Å
307G92.7Very high93.3Very high0 Ų028.2 Ų28.20%016%0.16CC..  trans60.8-145.1173.400000113.7R291 F294 V311 N313R291-G307 PolarHBondContact NH1-O 2.85Å; F294-G307 VanDerWaalsContact CB-O 3.27Å; F294-G307 WeakPolarHBondContact CB-O 3.27Å; G307-V311 VanDerWaalsContact C-CG2 3.5Å; G307-V311 WeakPolarHBondContact CA-O 3.13Å; G307-V311 WeakPolarHBondContact O-CG2 3.3Å; G307-N313 PolarHBondContact N-O 2.71Å
308G84.5Confident93.3Very high1 Ų128.4 Ų28.41%0.0116%0.16CC..  trans134.5-171.2-173.400000111S292 A310 V311S292-G308 CarbonylContact O-C 3.53Å; S292-G308 VanDerWaalsContact O-CA 3.27Å; S292-G308 WeakPolarHBondContact O-CA 3.38Å; G308-A310 PolarHBondContact O-N 2.76Å; G308-V311 PolarHBondContact O-N 3.34Å
309Q75.1Confident93.2Very high117 Ų11727.2 Ų27.255%0.54715%0.15SC..THydrogen-bonded Turntrans-59.4100.9-179.2-158.8170.7-8.500111.4S292 V311S292-Q309 PolarHBondContact O-N 2.79Å; S292-Q309 PolarHBondContact OG-OE1 2.6Å; Q309-V311 VanDerWaalsContact C-N 3.33Å; Q309-V311 PolarHBondContact O-N 3.42Å
310A69.7Low93Very high72 Ų7229.7 Ų29.760%0.59516%0.161SC*.THydrogen-bonded Turntrans61.323.817900000117.1G308G308-A310 PolarHBondContact O-N 2.76Å
311V86.1Confident93Very high29 Ų2930 Ų3018%0.17616%0.163CC..  trans-116.9140.4176.5-61.70000111.5G307 G308 Q309G307-V311 VanDerWaalsContact C-CG2 3.5Å; G307-V311 WeakPolarHBondContact CA-O 3.13Å; G307-V311 WeakPolarHBondContact O-CG2 3.3Å; G308-V311 PolarHBondContact O-N 3.34Å; Q309-V311 VanDerWaalsContact C-N 3.33Å; Q309-V311 PolarHBondContact O-N 3.42Å
312S93.6Very high93.1Very high31 Ų3131.6 Ų31.622%0.21717%0.169CC..  trans-98.4-16174.951.80000113.4P329 L330S312-P329 WeakPolarHBondContact O-CA 3.33Å; S312-P329 WeakPolarHBondContact O-CB 3.49Å; S312-L330 WeakPolarHBondContact CB-O 3.33Å; S312-L330 PolarHBondContact O-N 2.97Å
313N95.6Very high93.1Very high58 Ų5829.5 Ų29.531%0.3117%0.166SC..  trans-56.7148.1-177.2-68.5-16.6000111.4Q289 R291 G307 F326Q289-N313 PolarHBondContact OE1-ND2 3.44Å; R291-N313 PolarHBondContact NH1-O 3.31Å; G307-N313 PolarHBondContact N-O 2.71Å; N313-F326 HydrophobicContact CB-CD1 4.42Å; N313-F326 HydrophobicContact CB-CE1 4.33Å
314V97.8Very high93.1Very high1 Ų130 Ų301%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-125.8134.2173.6-1760000107.6Y304 A305 I306 V327 L330 W371Y304-V314 HydrophobicContact CD1-CG1 4.45Å; A305-V314 WeakPolarHBondContact O-CA 3.5Å; I306-V314 HydrophobicContact CG1-CG1 3.98Å; I306-V314 HydrophobicContact CG2-CG2 4.19Å; V314-V327 HydrophobicContact CB-CG2 3.73Å; V314-V327 HydrophobicContact CG1-CG2 3.52Å; V314-V327 PolarHBondContact O-N 2.84Å; V314-L330 HydrophobicContact CG2-CG 4.27Å; V314-W371 HydrophobicContact CG2-CZ2 4.07Å
315E98Very high93.1Very high0 Ų033.6 Ų33.60%019%0.188CC..EExtended strand (participates in β ladder)trans-117.9141.4175.7-76.8173.9-107.400110.1N288 Q289 R291 Y304 A305 W324 N325 F326N288-E315 VanDerWaalsContact CB-OE2 3.26Å; N288-E315 WeakPolarHBondContact CB-OE2 3.48Å; N288-E315 PolarHBondContact N-OE2 2.76Å; N288-E315 PolarHBondContact ND2-OE2 2.89Å; Q289-E315 WeakPolarHBondContact CB-OE1 3.36Å; Q289-E315 PolarHBondContact N-OE1 3.13Å; R291-E315 IonicContact CZ-OE1 2.68Å; R291-E315 VanDerWaalsContact CZ-OE1 3.25Å; R291-E315 IonicContact NE-OE1 3.77Å; R291-E315 PolarHBondContact NE-OE1 2.9Å; R291-E315 VanDerWaalsContact NE-OE1 3.12Å; R291-E315 VanDerWaalsContact NH2-CG 3.28Å; R291-E315 IonicContact NH2-OE1 3.13Å; R291-E315 PolarHBondContact NH2-OE1 2.92Å; Y304-E315 CarbonylContact C-O 3.55Å; Y304-E315 VanDerWaalsContact CA-O 3.32Å; Y304-E315 WeakPolarHBondContact CA-O 3.48Å; A305-E315 HydrophobicContact CB-CB 4.49Å; A305-E315 PolarHBondContact N-O 2.85Å; A305-E315 PolarHBondContact O-N 2.85Å; E315-W324 HydrophobicContact CB-CE3 3.79Å; E315-W324 HydrophobicContact CB-CZ3 4.4Å; E315-N325 CarbonylContact C-O 3.48Å; E315-N325 WeakPolarHBondContact CA-O 3.37Å; E315-F326 HydrophobicContact CG-CD1 3.56Å; E315-F326 HydrophobicContact CG-CE1 3.61Å; E315-F326 HydrophobicContact CG-CG 4.27Å; E315-F326 HydrophobicContact CG-CZ 4.35Å
316C98.5Very high93.1Very high8 Ų839 Ų395%0.05421%0.211CC..EExtended strand (participates in β ladder)trans-113.1118.7177.8179.70000109.7K302 L303 Y304 W324 N325 V327K302-C316 VanDerWaalsContact CD-SG 3.53Å; L303-C316 CarbonylContact O-C 3.5Å; L303-C316 VanDerWaalsContact O-CA 3.24Å; L303-C316 WeakPolarHBondContact O-CA 3.45Å; Y304-C316 HydrophobicContact CD1-CB 4Å; Y304-C316 HydrophobicContact CE1-CB 3.78Å; C316-W324 WeakPolarHBondContact O-CA 3.26Å; C316-N325 PolarHBondContact N-O 2.9Å; C316-N325 PolarHBondContact O-N 2.84Å; C316-V327 HydrophobicContact CB-CG1 3.59Å
317Y98.6Very high93.2Very high0 Ų040.2 Ų40.20%022%0.219CC..EExtended strand (participates in β ladder)trans-81.3127.6169.3-177-122.2000110H158 F256 A285 K302 L303 P319 D322 A323 W324H158-Y317 AromaticContact CE1-CE1 3.93Å; H158-Y317 AromaticContact CE1-CZ 3.97Å; H158-Y317 PolarHBondContact CE1-OH 2.93Å; H158-Y317 PolarHBondContact NE2-OH 3.16Å; F256-Y317 HydrophobicContact CE1-CD1 4.44Å; F256-Y317 AromaticContact CE1-CE1 3.87Å; F256-Y317 HydrophobicContact CE1-CE1 3.87Å; F256-Y317 HydrophobicContact CZ-CE1 4.34Å; A285-Y317 HydrophobicContact CB-CE2 4.41Å; K302-Y317 WeakPolarHBondContact CA-O 3.45Å; K302-Y317 VanDerWaalsContact CB-O 3.31Å; K302-Y317 WeakPolarHBondContact CB-O 3.33Å; L303-Y317 HydrophobicContact CD1-CD1 3.93Å; L303-Y317 HydrophobicContact CG-CD1 4.3Å; L303-Y317 PolarHBondContact N-O 2.93Å; L303-Y317 PolarHBondContact O-N 3.47Å; Y317-P319 HydrophobicContact CD1-CG 4.01Å; Y317-P319 HydrophobicContact CE1-CB 4.23Å; Y317-P319 HydrophobicContact CE1-CG 3.9Å; Y317-P319 WeakPolarHBondContact O-CD 3.13Å; Y317-D322 WeakPolarHBondContact CE2-OD1 3.44Å; Y317-D322 PolarHBondContact OH-OD1 2.77Å; Y317-A323 WeakPolarHBondContact CA-O 3.37Å; Y317-W324 AromaticContact CD2-CD1 3.76Å; Y317-W324 HydrophobicContact CD2-CD2 4.08Å; Y317-W324 AromaticContact CD2-CE2 3.72Å; Y317-W324 HydrophobicContact CD2-CG 4.13Å; Y317-W324 HydrophobicContact CD2-CZ2 4.29Å; Y317-W324 AromaticContact CD2-NE1 3.47Å; Y317-W324 HydrophobicContact CG-CD2 4.27Å; Y317-W324 AromaticContact CG-CE2 3.89Å; Y317-W324 HydrophobicContact CG-CZ2 4.04Å; Y317-W324 VanDerWaalsContact N-CE3 3.32Å
318N96.8Very high93.4Very high14 Ų1441.2 Ų41.28%0.07523%0.227CC..EExtended strand (participates in β ladder)trans-104.8107.4169.3-174.54000109.9E320 Q321 D322 A323N318-E320 PolarHBondContact O-N 2.71Å; N318-E320 VanDerWaalsContact O-N 3.14Å; N318-E320 PolarHBondContact OD1-N 3.15Å; N318-Q321 HydrophobicContact CB-CB 4.36Å; N318-Q321 VanDerWaalsContact ND2-CD 3.33Å; N318-Q321 PolarHBondContact ND2-OE1 2.89Å; N318-Q321 PolarHBondContact O-N 2.84Å; N318-Q321 VanDerWaalsContact O-N 3.1Å; N318-D322 PolarHBondContact O-N 2.76Å; N318-A323 PolarHBondContact N-O 2.88Å; N318-A323 PolarHBondContact O-N 2.99Å
319P95.1Very high94.1Very high2 Ų244.4 Ų44.41%0.01325%0.247CC..THydrogen-bonded Turntrans-57-25.5177.1-28.936.2000115.3L161 C162 L251 S301 Y317 Q321L161-P319 HydrophobicContact CD2-CB 3.79Å; C162-P319 PolarHBondContact SG-O 2.59Å; L251-P319 HydrophobicContact CD2-CG 3.66Å; S301-P319 WeakPolarHBondContact O-CD 3.31Å; Y317-P319 HydrophobicContact CD1-CG 4.01Å; Y317-P319 HydrophobicContact CE1-CB 4.23Å; Y317-P319 HydrophobicContact CE1-CG 3.9Å; Y317-P319 WeakPolarHBondContact O-CD 3.13Å; P319-Q321 VanDerWaalsContact C-N 3.33Å
320E92.9Very high95Very high55 Ų5539 Ų3926%0.25722%0.222SC..THydrogen-bonded Turntrans-74.4-26.7179.3-65.4-178164.500113L161 H167 K182 N318L161-E320 HydrophobicContact CD1-CG 3.83Å; L161-E320 HydrophobicContact CD2-CG 4.09Å; L161-E320 HydrophobicContact CG-CG 3.79Å; H167-E320 IonicContact CE1-OE1 3.13Å; H167-E320 IonicContact CE1-OE2 2.93Å; K182-E320 IonicContact NZ-OE1 3.8Å; K182-E320 PolarHBondContact NZ-OE1 2.47Å; N318-E320 PolarHBondContact O-N 2.71Å; N318-E320 VanDerWaalsContact O-N 3.14Å; N318-E320 PolarHBondContact OD1-N 3.15Å
321Q94.5Very high96.2Very high127 Ų12739.3 Ų39.359%0.59322%0.218SC*.THydrogen-bonded Turntrans-107.3-5.5-176.9-68.4174-34.700112N318 P319 A323N318-Q321 HydrophobicContact CB-CB 4.36Å; N318-Q321 VanDerWaalsContact ND2-CD 3.33Å; N318-Q321 PolarHBondContact ND2-OE1 2.89Å; N318-Q321 PolarHBondContact O-N 2.84Å; N318-Q321 VanDerWaalsContact O-N 3.1Å; P319-Q321 VanDerWaalsContact C-N 3.33Å; Q321-A323 VanDerWaalsContact C-N 3.26Å; Q321-A323 HydrophobicContact CB-CB 4.09Å; Q321-A323 PolarHBondContact O-N 3.39Å
322D96.6Very high96.4Very high64 Ų6442.1 Ų42.134%0.34223%0.233SC..THydrogen-bonded Turntrans42.256-167.1-173.223.9000111A285 Y317 N318A285-D322 WeakPolarHBondContact CB-O 3.25Å; A285-D322 VanDerWaalsContact CB-OD1 3.23Å; A285-D322 WeakPolarHBondContact CB-OD1 3.32Å; A285-D322 PolarHBondContact N-OD1 2.9Å; Y317-D322 WeakPolarHBondContact CE2-OD1 3.44Å; Y317-D322 PolarHBondContact OH-OD1 2.77Å; N318-D322 PolarHBondContact O-N 2.76Å
323A97.6Very high96.3Very high30 Ų3042.1 Ų42.125%0.24823%0.231CC..EExtended strand (participates in β ladder)trans-148.3143.2-172.700000112.6Y317 N318 Q321Y317-A323 WeakPolarHBondContact CA-O 3.37Å; N318-A323 PolarHBondContact N-O 2.88Å; N318-A323 PolarHBondContact O-N 2.99Å; Q321-A323 VanDerWaalsContact C-N 3.26Å; Q321-A323 HydrophobicContact CB-CB 4.09Å; Q321-A323 PolarHBondContact O-N 3.39Å
324W98.5Very high96.1Very high12 Ų1239.5 Ų39.55%0.04522%0.217CC..EExtended strand (participates in β ladder)trans-98.4132.5171.2-67.587.1000110.3V258 A285 M287 N288 L296 L303 A305 E315 C316 Y317V258-W324 HydrophobicContact CG1-CH2 4.11Å; V258-W324 HydrophobicContact CG1-CZ2 3.85Å; V258-W324 HydrophobicContact CG2-CH2 4.39Å; V258-W324 HydrophobicContact CG2-CZ2 4.1Å; A285-W324 VanDerWaalsContact O-CD1 3.24Å; A285-W324 PolarHBondContact O-NE1 3.48Å; M287-W324 HydrophobicContact CG-CD2 3.83Å; M287-W324 HydrophobicContact CG-CE3 4.14Å; M287-W324 HydrophobicContact CG-CG 4.31Å; M287-W324 HydrophobicContact CG-CH2 4.24Å; M287-W324 HydrophobicContact CG-CZ2 3.95Å; M287-W324 HydrophobicContact CG-CZ3 4.34Å; N288-W324 WeakPolarHBondContact ND2-CB 3.46Å; N288-W324 PolarHBondContact ND2-O 3.05Å; L296-W324 HydrophobicContact CD1-CH2 3.87Å; L296-W324 HydrophobicContact CD1-CZ3 4.49Å; L303-W324 HydrophobicContact CB-CH2 4.37Å; A305-W324 HydrophobicContact CB-CH2 4.13Å; A305-W324 HydrophobicContact CB-CZ3 3.65Å; E315-W324 HydrophobicContact CB-CE3 3.79Å; E315-W324 HydrophobicContact CB-CZ3 4.4Å; C316-W324 WeakPolarHBondContact O-CA 3.26Å; Y317-W324 AromaticContact CD2-CD1 3.76Å; Y317-W324 HydrophobicContact CD2-CD2 4.08Å; Y317-W324 AromaticContact CD2-CE2 3.72Å; Y317-W324 HydrophobicContact CD2-CG 4.13Å; Y317-W324 HydrophobicContact CD2-CZ2 4.29Å; Y317-W324 AromaticContact CD2-NE1 3.47Å; Y317-W324 HydrophobicContact CG-CD2 4.27Å; Y317-W324 AromaticContact CG-CE2 3.89Å; Y317-W324 HydrophobicContact CG-CZ2 4.04Å; Y317-W324 VanDerWaalsContact N-CE3 3.32Å
325N98.2Very high95.7Very high84 Ų8441.2 Ų41.245%0.44923%0.232SC..EExtended strand (participates in β ladder)trans-124.1143.8174.4-66.8-76.4000110.4E315 C316E315-N325 CarbonylContact C-O 3.48Å; E315-N325 WeakPolarHBondContact CA-O 3.37Å; C316-N325 PolarHBondContact N-O 2.9Å; C316-N325 PolarHBondContact O-N 2.84Å
326F98Very high95.2Very high113 Ų11344.7 Ų44.750%0.49625%0.248SC..EExtended strand (participates in β ladder)trans-67.7137.1170.5-67.7-75.4000110.3N288 N313 E315N288-F326 HydrophobicContact CB-CE2 3.67Å; N288-F326 HydrophobicContact CB-CZ 3.59Å; N313-F326 HydrophobicContact CB-CD1 4.42Å; N313-F326 HydrophobicContact CB-CE1 4.33Å; E315-F326 HydrophobicContact CG-CD1 3.56Å; E315-F326 HydrophobicContact CG-CE1 3.61Å; E315-F326 HydrophobicContact CG-CG 4.27Å; E315-F326 HydrophobicContact CG-CZ 4.35Å
327V98.4Very high95Very high27 Ų2744.4 Ų44.416%0.16425%0.246CC..EExtended strand (participates in β ladder)trans-122.2-179.1172.1-60.20000108.9Y304 V314 C316 D369Y304-V327 HydrophobicContact CD1-CG2 4.36Å; Y304-V327 HydrophobicContact CE1-CG2 4.5Å; V314-V327 HydrophobicContact CB-CG2 3.73Å; V314-V327 HydrophobicContact CG1-CG2 3.52Å; V314-V327 PolarHBondContact O-N 2.84Å; C316-V327 HydrophobicContact CB-CG1 3.59Å; V327-D369 WeakPolarHBondContact CB-OD1 3.22Å
328A98.1Very high94.7Very high21 Ų2144.5 Ų44.517%0.17425%0.247CC..PPolyproline II helixtrans-52126-177.900000111.3Y364 D369 W371A328-Y364 HydrophobicContact CB-CE2 4.22Å; A328-D369 VanDerWaalsContact CB-O 3.27Å; A328-D369 WeakPolarHBondContact CB-O 3.47Å; A328-D369 WeakPolarHBondContact CB-OD1 3.27Å; A328-D369 PolarHBondContact N-OD1 3.22Å; A328-D369 PolarHBondContact N-OD2 2.85Å; A328-W371 PolarHBondContact O-NE1 2.73Å
329P97.5Very high94.7Very high67 Ų6744.4 Ų44.444%0.43525%0.248SC..PPolyproline II helixtrans-73.8160.5-178.831.9-36.1000110.8S312 W371S312-P329 WeakPolarHBondContact O-CA 3.33Å; S312-P329 WeakPolarHBondContact O-CB 3.49Å; P329-W371 PolarHBondContact O-NE1 3.44Å
330L95.8Very high94.8Very high3 Ų344.7 Ų44.72%0.01625%0.25CS..PPolyproline II helixtrans-56.2145.7166.2-69.9168000110.2I306 S312 V314 N332 L334 V348 L362 W371I306-L330 HydrophobicContact CG2-CD1 3.92Å; I306-L330 HydrophobicContact CG2-CD2 4.16Å; I306-L330 HydrophobicContact CG2-CG 4.15Å; S312-L330 WeakPolarHBondContact CB-O 3.33Å; S312-L330 PolarHBondContact O-N 2.97Å; V314-L330 HydrophobicContact CG2-CG 4.27Å; L330-N332 WeakPolarHBondContact CB-O 3.46Å; L330-N332 PolarHBondContact O-N 2.89Å; L330-L334 HydrophobicContact CD1-CB 4.33Å; L330-L334 HydrophobicContact CD1-CD1 4.23Å; L330-L334 HydrophobicContact CD1-CG 4.45Å; L330-L334 HydrophobicContact CD2-CD1 4.44Å; L330-V348 HydrophobicContact CD2-CG2 4.42Å; L330-L362 HydrophobicContact CD2-CD1 4.11Å; L330-W371 HydrophobicContact CD2-CD2 4.13Å; L330-W371 HydrophobicContact CD2-CE3 4.08Å; L330-W371 HydrophobicContact CD2-CH2 3.67Å; L330-W371 HydrophobicContact CD2-CZ2 3.7Å; L330-W371 HydrophobicContact CD2-CZ3 3.86Å; L330-W371 HydrophobicContact CG-CZ2 4.4Å
331P93.6Very high95Very high79 Ų7944.9 Ų44.951%0.51325%0.251SS..SBendtrans-57.7-32.6176.6-2634.5000113.9L362 W371P331-L362 HydrophobicContact CG-CD1 4.41Å; P331-W371 HydrophobicContact CG-CB 4.37Å
332N90.9Very high95.1Very high89 Ų8938.9 Ų38.948%0.47622%0.223SC..SBendtrans-139.8149.7174.3-67.6-79.8000109.3L330 L334 T353L330-N332 WeakPolarHBondContact CB-O 3.46Å; L330-N332 PolarHBondContact O-N 2.89Å; N332-L334 PolarHBondContact O-N 3.36Å; N332-T353 HydrophobicContact CB-CG2 3.94Å
333P91.8Very high95Very high30 Ų3041.3 Ų41.320%0.19523%0.23CC..  trans-57.3135.6169.3-23.333.6000110.7T353 T354P333-T353 WeakPolarHBondContact O-CA 3.03Å; P333-T354 HydrophobicContact CB-CG2 4.41Å
334L90.9Very high95Very high3 Ų340.4 Ų40.42%0.01622%0.223CC..  trans-125.3137.9-179-71.2174.5000111.2L330 N332 F337 V348 Y352 T353 N358 L362L330-L334 HydrophobicContact CD1-CB 4.33Å; L330-L334 HydrophobicContact CD1-CD1 4.23Å; L330-L334 HydrophobicContact CD1-CG 4.45Å; L330-L334 HydrophobicContact CD2-CD1 4.44Å; N332-L334 PolarHBondContact O-N 3.36Å; L334-F337 HydrophobicContact CB-CB 4.32Å; L334-F337 HydrophobicContact CB-CD1 3.44Å; L334-F337 VanDerWaalsContact CB-CD1 3.44Å; L334-F337 HydrophobicContact CB-CE1 3.92Å; L334-F337 HydrophobicContact CB-CG 4Å; L334-F337 WeakPolarHBondContact O-CD1 3.37Å; L334-F337 VanDerWaalsContact O-CE1 3.23Å; L334-F337 WeakPolarHBondContact O-CE1 3.48Å; L334-V348 HydrophobicContact CD1-CG1 3.68Å; L334-Y352 CarbonylContact C-O 3.53Å; L334-Y352 WeakPolarHBondContact CA-O 3.04Å; L334-T353 HydrophobicContact CD2-CG2 3.7Å; L334-N358 HydrophobicContact CD2-CB 3.56Å; L334-L362 HydrophobicContact CD1-CD1 4.08Å
335A89.1Confident94.9Very high38 Ų3843.1 Ų43.131%0.31424%0.236SC..BIsolated β-bridgetrans-123.2152.4171.600000111F337 G351 Y352A335-F337 PolarHBondContact O-N 3.44Å; A335-G351 CarbonylContact O-C 3.59Å; A335-G351 WeakPolarHBondContact O-CA 3.45Å; A335-Y352 PolarHBondContact N-O 3.46Å; A335-Y352 PolarHBondContact O-N 3.19Å
336E88.6Confident94.9Very high73 Ų7339.1 Ų39.134%0.34121%0.214SC..SBendtrans55.719.2-179.8-52.5-166.2162.600115.5R382 K383E336-R382 HydrophobicContact CB-CB 4.36Å; E336-R382 IonicContact OE1-NH1 3.1Å; E336-R382 WeakPolarHBondContact OE2-CD 3.1Å; E336-R382 IonicContact OE2-CZ 2.61Å; E336-R382 IonicContact OE2-NH1 3.82Å; E336-R382 PolarHBondContact OE2-NH1 3.29Å; E336-K383 HydrophobicContact CB-CG 4.12Å; E336-K383 HydrophobicContact CG-CG 4.38Å; E336-K383 PolarHBondContact O-N 3.03Å; E336-K383 WeakPolarHBondContact OE1-CE 3.46Å; E336-K383 IonicContact OE1-NZ 2.96Å; E336-K383 VanDerWaalsContact OE2-CE 3.23Å; E336-K383 WeakPolarHBondContact OE2-CE 3.04Å
337F92.5Very high94.9Very high2 Ų234.2 Ų34.21%0.00919%0.192CC..  trans-81.9172.7175.770.4-86000111.3K295 I306 L334 A335 A339 V348 G350K295-F337 HydrophobicContact CB-CE2 3.96Å; K295-F337 HydrophobicContact CB-CZ 4.35Å; K295-F337 WeakPolarHBondContact CE-O 3.27Å; K295-F337 HydrophobicContact CG-CD2 4.01Å; K295-F337 HydrophobicContact CG-CE2 3.49Å; K295-F337 VanDerWaalsContact CG-CE2 3.49Å; K295-F337 HydrophobicContact CG-CZ 3.98Å; I306-F337 HydrophobicContact CG2-CE2 4.06Å; I306-F337 HydrophobicContact CG2-CZ 4.11Å; I306-F337 WeakPolarHBondContact O-CZ 3.46Å; L334-F337 HydrophobicContact CB-CB 4.32Å; L334-F337 HydrophobicContact CB-CD1 3.44Å; L334-F337 VanDerWaalsContact CB-CD1 3.44Å; L334-F337 HydrophobicContact CB-CE1 3.92Å; L334-F337 HydrophobicContact CB-CG 4Å; L334-F337 WeakPolarHBondContact O-CD1 3.37Å; L334-F337 VanDerWaalsContact O-CE1 3.23Å; L334-F337 WeakPolarHBondContact O-CE1 3.48Å; A335-F337 PolarHBondContact O-N 3.44Å; F337-A339 HydrophobicContact CE2-CB 4.32Å; F337-V348 HydrophobicContact CB-CG1 4.32Å; F337-V348 HydrophobicContact CD2-CG1 3.62Å; F337-V348 HydrophobicContact CD2-CG2 4.46Å; F337-V348 HydrophobicContact CE2-CG1 4.23Å; F337-V348 HydrophobicContact CE2-CG2 4.4Å; F337-V348 HydrophobicContact CG-CG1 4.19Å; F337-G350 WeakPolarHBondContact CB-O 2.89Å
338S93.3Very high94.8Very high1 Ų132.9 Ų32.91%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-129151.7175.7-55.90000110.9V348 I349 Q384 M386S338-V348 CarbonylContact O-C 3.51Å; S338-V348 VanDerWaalsContact O-CA 3.31Å; S338-V348 WeakPolarHBondContact O-CA 3.46Å; S338-I349 PolarHBondContact N-O 3.4Å; S338-I349 PolarHBondContact O-N 3.3Å; S338-Q384 VanDerWaalsContact CB-CG 3.48Å; S338-Q384 WeakPolarHBondContact OG-CG 3.49Å; S338-Q384 PolarHBondContact OG-O 3.34Å; S338-M386 WeakPolarHBondContact CB-SD 3.34Å
339A96.1Very high94.7Very high13 Ų1331.9 Ų31.911%0.10718%0.176CC..EExtended strand (participates in β ladder)trans-144.7145.8-178.500000110.7K295 V297 I306 F337 Y347 V348K295-A339 HydrophobicContact CB-CB 3.83Å; K295-A339 HydrophobicContact CG-CB 4.02Å; V297-A339 HydrophobicContact CG2-CB 3.91Å; I306-A339 HydrophobicContact CD1-CB 4.23Å; F337-A339 HydrophobicContact CE2-CB 4.32Å; A339-Y347 WeakPolarHBondContact CA-O 3.48Å; A339-V348 HydrophobicContact CB-CG2 3.91Å
340C97.1Very high94.4Very high8 Ų828.9 Ų28.95%0.05416%0.157CC..EExtended strand (participates in β ladder)trans-148165.1168.575.50000110.8I346 Y347 M386C340-I346 WeakPolarHBondContact O-CA 3.45Å; C340-Y347 PolarHBondContact N-O 3.49Å; C340-Y347 VanDerWaalsContact N-O 3.16Å; C340-Y347 PolarHBondContact O-N 2.8Å; C340-M386 HydrophobicContact CB-CB 3.81Å
341E97.4Very high94.1Very high59 Ų5928.7 Ų28.728%0.27616%0.156SC..EExtended strand (participates in β ladder)trans-80.6144166.2-174.2-80.7143.800109.1V297 V299 K343 G344 K345 S388V297-E341 HydrophobicContact CG1-CB 3.81Å; V299-E341 HydrophobicContact CB-CG 4.1Å; V299-E341 HydrophobicContact CG1-CG 3.87Å; V299-E341 HydrophobicContact CG2-CB 3.83Å; V299-E341 HydrophobicContact CG2-CG 3.54Å; E341-K343 PolarHBondContact OE1-N 2.98Å; E341-K343 VanDerWaalsContact OE1-N 3.14Å; E341-G344 WeakPolarHBondContact OE1-CA 3.38Å; E341-G344 PolarHBondContact OE1-N 3.06Å; E341-K345 CarbonylContact C-O 3.52Å; E341-K345 VanDerWaalsContact CA-O 3.32Å; E341-K345 WeakPolarHBondContact CA-O 3.32Å; E341-S388 WeakPolarHBondContact O-CB 3.36Å; E341-S388 PolarHBondContact O-OG 2.7Å
342C97.3Very high93.9Very high0 Ų029 Ų290%015%0.148CC..EExtended strand (participates in β ladder)trans-155.1125.9164.91780000109.1G344 K345 Y347 E390 I393C342-G344 VanDerWaalsContact C-N 3.32Å; C342-G344 PolarHBondContact O-N 3.17Å; C342-K345 PolarHBondContact N-O 3.15Å; C342-K345 PolarHBondContact O-N 2.79Å; C342-K345 VanDerWaalsContact O-N 3.14Å; C342-Y347 HydrophobicContact CB-CD2 3.95Å; C342-Y347 HydrophobicContact CB-CE2 3.8Å; C342-E390 PolarHBondContact SG-O 2.81Å; C342-I393 HydrophobicContact CB-CD1 4.05Å; C342-I393 HydrophobicContact CB-CG1 3.87Å
343K95.3Very high93.8Very high116 Ų11626.3 Ų26.350%0.50414%0.135SC..THydrogen-bonded Turntrans49.546.7-178.9-66.8-164166.41790114.2E341 K345 E391E341-K343 PolarHBondContact OE1-N 2.98Å; E341-K343 VanDerWaalsContact OE1-N 3.14Å; K343-K345 VanDerWaalsContact C-N 3.26Å; K343-K345 PolarHBondContact O-N 2.8Å; K343-E391 HydrophobicContact CD-CB 4.2Å; K343-E391 WeakPolarHBondContact CE-OE2 3.23Å; K343-E391 IonicContact NZ-OE2 2.6Å; K343-E391 PolarHBondContact NZ-OE2 2.91Å
344G95.8Very high93.5Very high10 Ų1029.7 Ų29.710%0.10316%0.155CC..THydrogen-bonded Turntrans7510.3176.500000114.6V299 H300 E341 C342 P366V299-G344 WeakPolarHBondContact CG1-O 3.27Å; H300-G344 VanDerWaalsContact CE1-CA 3.46Å; H300-G344 WeakPolarHBondContact CE1-CA 3.28Å; H300-G344 PolarHBondContact CE1-O 2.89Å; H300-G344 WeakPolarHBondContact NE2-CA 3.39Å; E341-G344 WeakPolarHBondContact OE1-CA 3.38Å; E341-G344 PolarHBondContact OE1-N 3.06Å; C342-G344 VanDerWaalsContact C-N 3.32Å; C342-G344 PolarHBondContact O-N 3.17Å; G344-P366 WeakPolarHBondContact O-CD 3.44Å
345K97.8Very high93.1Very high69 Ų6940.9 Ų40.930%0.320%0.197SC..EExtended strand (participates in β ladder)trans-124.6158.3179.8-63.2-173.2-179.5-179.10110.6E341 C342 K343 Y347 Q363 Y364E341-K345 CarbonylContact C-O 3.52Å; E341-K345 VanDerWaalsContact CA-O 3.32Å; E341-K345 WeakPolarHBondContact CA-O 3.32Å; C342-K345 PolarHBondContact N-O 3.15Å; C342-K345 PolarHBondContact O-N 2.79Å; C342-K345 VanDerWaalsContact O-N 3.14Å; K343-K345 VanDerWaalsContact C-N 3.26Å; K343-K345 PolarHBondContact O-N 2.8Å; K345-Y347 HydrophobicContact CB-CE2 4.02Å; K345-Q363 HydrophobicContact CB-CG 4.29Å; K345-Q363 HydrophobicContact CD-CG 3.85Å; K345-Y364 WeakPolarHBondContact CB-O 3.28Å
346I98.4Very high93.1Very high0 Ų043.7 Ų43.70%021%0.207CC..EExtended strand (participates in β ladder)trans-102.8133.3175.6-55.1173.2000108.8V297 V299 Y304 I306 C340 Q363 Y364 W371V297-I346 HydrophobicContact CG1-CG1 4.28Å; V297-I346 HydrophobicContact CG2-CG2 4.49Å; V299-I346 HydrophobicContact CG2-CD1 3.8Å; V299-I346 HydrophobicContact CG2-CG1 3.4Å; V299-I346 VanDerWaalsContact CG2-CG1 3.4Å; Y304-I346 HydrophobicContact CD1-CD1 4.04Å; Y304-I346 HydrophobicContact CD2-CD1 3.76Å; Y304-I346 HydrophobicContact CE2-CD1 4.44Å; Y304-I346 HydrophobicContact CG-CD1 3.54Å; I306-I346 HydrophobicContact CD1-CD1 4.13Å; I306-I346 HydrophobicContact CD1-CG2 3.6Å; C340-I346 WeakPolarHBondContact O-CA 3.45Å; I346-Q363 CarbonylContact O-C 3.46Å; I346-Q363 WeakPolarHBondContact O-CA 3.4Å; I346-Y364 HydrophobicContact CB-CD1 4.47Å; I346-Y364 HydrophobicContact CD1-CD1 3.85Å; I346-Y364 HydrophobicContact CD1-CE1 4.42Å; I346-Y364 HydrophobicContact CG1-CD1 4.28Å; I346-Y364 PolarHBondContact N-O 2.9Å; I346-Y364 VanDerWaalsContact N-O 3.07Å; I346-Y364 PolarHBondContact O-N 3.42Å; I346-W371 HydrophobicContact CG2-CH2 4.45Å
347Y97.9Very high93.2Very high10 Ų1043.8 Ų43.84%0.03920%0.204CC..EExtended strand (participates in β ladder)trans-113.3136.8173.3-66.1-99.2000109.6A339 C340 C342 K345 I361 L362 Q363 F374 I393 T423A339-Y347 WeakPolarHBondContact CA-O 3.48Å; C340-Y347 PolarHBondContact N-O 3.49Å; C340-Y347 VanDerWaalsContact N-O 3.16Å; C340-Y347 PolarHBondContact O-N 2.8Å; C342-Y347 HydrophobicContact CB-CD2 3.95Å; C342-Y347 HydrophobicContact CB-CE2 3.8Å; K345-Y347 HydrophobicContact CB-CE2 4.02Å; Y347-I361 HydrophobicContact CD1-CG2 4.07Å; Y347-L362 CarbonylContact C-O 3.56Å; Y347-L362 WeakPolarHBondContact CA-O 3.29Å; Y347-Q363 HydrophobicContact CD1-CB 4.26Å; Y347-Q363 HydrophobicContact CE1-CB 4.17Å; Y347-Q363 HydrophobicContact CE1-CG 4.18Å; Y347-Q363 PolarHBondContact OH-NE2 2.81Å; Y347-F374 HydrophobicContact CD1-CD1 4.31Å; Y347-F374 HydrophobicContact CD1-CG 4.48Å; Y347-F374 AromaticContact CE1-CD1 3.85Å; Y347-F374 HydrophobicContact CE1-CD1 3.85Å; Y347-F374 HydrophobicContact CE1-CD2 4.12Å; Y347-F374 AromaticContact CE1-CE1 3.86Å; Y347-F374 HydrophobicContact CE1-CE1 3.86Å; Y347-F374 HydrophobicContact CE1-CE2 4.17Å; Y347-F374 AromaticContact CE1-CG 3.97Å; Y347-F374 HydrophobicContact CE1-CG 3.97Å; Y347-F374 HydrophobicContact CE1-CZ 4.04Å; Y347-I393 HydrophobicContact CD1-CD1 4.2Å; Y347-I393 HydrophobicContact CD2-CD1 3.76Å; Y347-I393 HydrophobicContact CE2-CD1 4.34Å; Y347-I393 HydrophobicContact CG-CD1 3.67Å; Y347-T423 HydrophobicContact CE1-CG2 4.03Å; Y347-T423 HydrophobicContact CE2-CG2 4.09Å
348V96.6Very high93.1Very high0 Ų044.2 Ų44.20%021%0.206CC..EExtended strand (participates in β ladder)trans-121126175.8168.80000108.7I306 L330 L334 F337 S338 A339 I361 L362 W371I306-V348 HydrophobicContact CG2-CG2 4.3Å; L330-V348 HydrophobicContact CD2-CG2 4.42Å; L334-V348 HydrophobicContact CD1-CG1 3.68Å; F337-V348 HydrophobicContact CB-CG1 4.32Å; F337-V348 HydrophobicContact CD2-CG1 3.62Å; F337-V348 HydrophobicContact CD2-CG2 4.46Å; F337-V348 HydrophobicContact CE2-CG1 4.23Å; F337-V348 HydrophobicContact CE2-CG2 4.4Å; F337-V348 HydrophobicContact CG-CG1 4.19Å; S338-V348 CarbonylContact O-C 3.51Å; S338-V348 VanDerWaalsContact O-CA 3.31Å; S338-V348 WeakPolarHBondContact O-CA 3.46Å; A339-V348 HydrophobicContact CB-CG2 3.91Å; V348-I361 WeakPolarHBondContact O-CA 3.44Å; V348-L362 HydrophobicContact CB-CB 4.25Å; V348-L362 PolarHBondContact N-O 2.87Å; V348-L362 PolarHBondContact O-N 2.88Å; V348-W371 HydrophobicContact CB-CZ3 4.26Å; V348-W371 HydrophobicContact CG2-CH2 3.68Å; V348-W371 HydrophobicContact CG2-CZ3 3.75Å
349I94.3Very high93.1Very high0 Ų045.9 Ų45.90%021%0.214CC..EExtended strand (participates in β ladder)trans-129.7136.4-177.1-54.5-176.9000110.4S338 I361 Q384 M386 I395 W428S338-I349 PolarHBondContact N-O 3.4Å; S338-I349 PolarHBondContact O-N 3.3Å; I349-I361 HydrophobicContact CD1-CD1 4.2Å; I349-I361 HydrophobicContact CD1-CG1 4.3Å; I349-I361 HydrophobicContact CD1-CG2 4.26Å; I349-I361 HydrophobicContact CG1-CB 4.42Å; I349-I361 HydrophobicContact CG1-CG1 4.13Å; I349-I361 HydrophobicContact CG1-CG2 3.95Å; I349-Q384 PolarHBondContact O-NE2 3.13Å; I349-Q384 VanDerWaalsContact O-NE2 3.1Å; I349-M386 HydrophobicContact CB-CE 4.3Å; I349-M386 HydrophobicContact CB-SD 4.03Å; I349-M386 HydrophobicContact CD1-CE 3.57Å; I349-M386 HydrophobicContact CD1-SD 4.3Å; I349-M386 HydrophobicContact CG1-CE 3.75Å; I349-M386 HydrophobicContact CG1-SD 4.16Å; I349-I395 HydrophobicContact CD1-CD1 3.85Å; I349-W428 HydrophobicContact CD1-CH2 4.4Å
350G91.7Very high93Very high3 Ų347.9 Ų47.93%0.03122%0.224CC..  trans76.2-161168.400000114.3F337 N358 I381F337-G350 WeakPolarHBondContact CB-O 2.89Å; G350-N358 WeakPolarHBondContact O-CB 3.3Å; G350-N358 PolarHBondContact O-ND2 3.03Å; G350-I381 CarbonylContact C-O 3.51Å; G350-I381 WeakPolarHBondContact CA-O 3.35Å
351G90.6Very high92.9Very high0 Ų047.6 Ų47.60%022%0.221CC..  trans82.7-167.3-177.500000113.8A335 N358 H380 I381A335-G351 CarbonylContact O-C 3.59Å; A335-G351 WeakPolarHBondContact O-CA 3.45Å; G351-N358 PolarHBondContact O-N 3.1Å; G351-H380 PolarHBondContact O-NE2 3.4Å; G351-I381 PolarHBondContact N-O 2.89Å
352Y88.4Confident92.9Very high85 Ų8545.4 Ų45.433%0.33321%0.212SC..BIsolated β-bridgetrans-123.5137.9-178.2-63.1-83.6000111.1L334 A335 R357 H380 R382L334-Y352 CarbonylContact C-O 3.53Å; L334-Y352 WeakPolarHBondContact CA-O 3.04Å; A335-Y352 PolarHBondContact N-O 3.46Å; A335-Y352 PolarHBondContact O-N 3.19Å; Y352-R357 HydrophobicContact CD1-CG 3.88Å; Y352-R357 HydrophobicContact CE1-CG 3.58Å; Y352-H380 AromaticContact CE1-CE1 3.51Å; Y352-H380 AromaticContact CZ-CE1 3.44Å; Y352-H380 VanDerWaalsContact CZ-CE1 3.44Å; Y352-R382 HydrophobicContact CE2-CB 4.4Å; Y352-R382 WeakPolarHBondContact OH-CD 3.43Å
353T89.3Confident92.9Very high32 Ų3246.1 Ų46.120%0.19622%0.215CC..  trans-81.6177.7161.371.60000110N332 P333 L334 R355 D356 N358N332-T353 HydrophobicContact CB-CG2 3.94Å; P333-T353 WeakPolarHBondContact O-CA 3.03Å; L334-T353 HydrophobicContact CD2-CG2 3.7Å; T353-R355 PolarHBondContact O-N 2.99Å; T353-R355 PolarHBondContact OG1-N 3.04Å; T353-D356 WeakPolarHBondContact CA-O 3.36Å; T353-D356 WeakPolarHBondContact CB-O 3.12Å; T353-D356 PolarHBondContact N-O 2.96Å; T353-D356 PolarHBondContact OG1-N 3.45Å; T353-D356 PolarHBondContact OG1-O 2.99Å; T353-N358 HydrophobicContact CG2-CB 4.39Å
354T84.6Confident93Very high102 Ų10240.8 Ų40.863%0.62619%0.192SC*.SBendtrans-65-17.8173.854.40000113.8P333P333-T354 HydrophobicContact CB-CG2 4.41Å
355R84.1Confident93.1Very high237 Ų23741.6 Ų41.689%0.89420%0.195SC*.SBendtrans-116.4-35.4-173.2-61.6-174.8-177.8-164.40.9113.7T353T353-R355 PolarHBondContact O-N 2.99Å; T353-R355 PolarHBondContact OG1-N 3.04Å
356D88.6Confident93.1Very high98 Ų9839.4 Ų39.452%0.52419%0.188SC..SBendtrans-156.5174.1-175.2-155.6-7.7000112.1T353T353-D356 WeakPolarHBondContact CA-O 3.36Å; T353-D356 WeakPolarHBondContact CB-O 3.12Å; T353-D356 PolarHBondContact N-O 2.96Å; T353-D356 PolarHBondContact OG1-N 3.45Å; T353-D356 PolarHBondContact OG1-O 2.99Å
357R89.4Confident93Very high74 Ų7444.7 Ų44.728%0.27923%0.225SC..BIsolated β-bridgetrans-57137.2168.3-70.6174.1-68.1176.70.4111.3Y352 M359Y352-R357 HydrophobicContact CD1-CG 3.88Å; Y352-R357 HydrophobicContact CE1-CG 3.58Å; R357-M359 HydrophobicContact CB-SD 4.42Å; R357-M359 PolarHBondContact O-N 2.76Å
358N91.4Very high93Very high11 Ų1147.1 Ų47.16%0.05924%0.244CC..  trans-85.9108.3168.2178.746000109.8L334 G350 G351 T353 N360L334-N358 HydrophobicContact CD2-CB 3.56Å; G350-N358 WeakPolarHBondContact O-CB 3.3Å; G350-N358 PolarHBondContact O-ND2 3.03Å; G351-N358 PolarHBondContact O-N 3.1Å; T353-N358 HydrophobicContact CG2-CB 4.39Å; N358-N360 PolarHBondContact ND2-O 2.53Å; N358-N360 WeakPolarHBondContact OD1-CB 3.43Å; N358-N360 PolarHBondContact OD1-N 2.98Å; N358-N360 PolarHBondContact OD1-O 3.17Å
359M92.2Very high93Very high36 Ų3650.3 Ų50.318%0.17726%0.261CS..  trans-91.3-8.3172.2-56.9-58.5-64.800112.1R357 T376 C377 H380 L403R357-M359 HydrophobicContact CB-SD 4.42Å; R357-M359 PolarHBondContact O-N 2.76Å; M359-T376 HydrophobicContact CB-CG2 3.85Å; M359-T376 CarbonylContact O-C 3.54Å; M359-T376 WeakPolarHBondContact O-CA 3.3Å; M359-C377 HydrophobicContact CE-CB 4.49Å; M359-C377 WeakPolarHBondContact CE-O 3.33Å; M359-C377 PolarHBondContact O-N 3.33Å; M359-H380 HydrophobicContact CE-CB 4.28Å; M359-H380 HydrophobicContact SD-CB 3.56Å; M359-H380 VanDerWaalsContact SD-CB 3.56Å; M359-L403 HydrophobicContact CE-CD1 4.09Å
360N94Very high93.2Very high56 Ų5654.6 Ų54.630%0.29928%0.283SS..EExtended strand (participates in β ladder)trans-88.9134.6-172.4-68.6-24.2000111.5N358 L362 L373 T376N358-N360 PolarHBondContact ND2-O 2.53Å; N358-N360 WeakPolarHBondContact OD1-CB 3.43Å; N358-N360 PolarHBondContact OD1-N 2.98Å; N358-N360 PolarHBondContact OD1-O 3.17Å; N360-L362 HydrophobicContact CB-CD2 4.08Å; N360-L373 HydrophobicContact CB-CD1 3.42Å; N360-L373 VanDerWaalsContact CB-CD1 3.42Å; N360-T376 PolarHBondContact OD1-OG1 3.14Å
361I95.5Very high93.5Very high1 Ų155.8 Ų55.81%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-81.4112161-52.9-175.2000106.7Y347 V348 I349 F374 E375 Y421 W428Y347-I361 HydrophobicContact CD1-CG2 4.07Å; V348-I361 WeakPolarHBondContact O-CA 3.44Å; I349-I361 HydrophobicContact CD1-CD1 4.2Å; I349-I361 HydrophobicContact CD1-CG1 4.3Å; I349-I361 HydrophobicContact CD1-CG2 4.26Å; I349-I361 HydrophobicContact CG1-CB 4.42Å; I349-I361 HydrophobicContact CG1-CG1 4.13Å; I349-I361 HydrophobicContact CG1-CG2 3.95Å; I361-F374 HydrophobicContact CB-CB 4.32Å; I361-F374 HydrophobicContact CG2-CB 4.04Å; I361-F374 HydrophobicContact CG2-CD1 4.05Å; I361-F374 HydrophobicContact CG2-CG 4.48Å; I361-F374 WeakPolarHBondContact O-CB 3.44Å; I361-F374 PolarHBondContact O-N 3.47Å; I361-E375 HydrophobicContact CB-CB 4.44Å; I361-E375 HydrophobicContact CD1-CB 4.15Å; I361-E375 HydrophobicContact CG1-CB 4.48Å; I361-E375 PolarHBondContact N-O 3.39Å; I361-E375 PolarHBondContact O-N 3.04Å; I361-Y421 HydrophobicContact CD1-CE1 4.32Å; I361-Y421 HydrophobicContact CD1-CE2 4.49Å; I361-W428 HydrophobicContact CD1-CZ2 3.9Å
362L97Very high93.8Very high14 Ų1458.8 Ų58.87%0.07331%0.305CS..EExtended strand (participates in β ladder)trans-95.4136.3175.8-54.4175.3000109L330 P331 L334 Y347 V348 N360 W371L330-L362 HydrophobicContact CD2-CD1 4.11Å; P331-L362 HydrophobicContact CG-CD1 4.41Å; L334-L362 HydrophobicContact CD1-CD1 4.08Å; Y347-L362 CarbonylContact C-O 3.56Å; Y347-L362 WeakPolarHBondContact CA-O 3.29Å; V348-L362 HydrophobicContact CB-CB 4.25Å; V348-L362 PolarHBondContact N-O 2.87Å; V348-L362 PolarHBondContact O-N 2.88Å; N360-L362 HydrophobicContact CB-CD2 4.08Å; L362-W371 HydrophobicContact CB-CE3 3.84Å; L362-W371 HydrophobicContact CB-CZ3 4.03Å
363Q97.9Very high94.2Very high15 Ų1559.6 Ų59.67%0.0731%0.314CS..EExtended strand (participates in β ladder)trans-114.8131.4174.2173.4-179.4102.100109.4K345 I346 Y347 W371 T372 F374K345-Q363 HydrophobicContact CB-CG 4.29Å; K345-Q363 HydrophobicContact CD-CG 3.85Å; I346-Q363 CarbonylContact O-C 3.46Å; I346-Q363 WeakPolarHBondContact O-CA 3.4Å; Y347-Q363 HydrophobicContact CD1-CB 4.26Å; Y347-Q363 HydrophobicContact CE1-CB 4.17Å; Y347-Q363 HydrophobicContact CE1-CG 4.18Å; Y347-Q363 PolarHBondContact OH-NE2 2.81Å; Q363-W371 CarbonylContact O-C 3.57Å; Q363-W371 WeakPolarHBondContact O-CA 3.46Å; Q363-T372 PolarHBondContact N-O 2.94Å; Q363-T372 PolarHBondContact O-N 2.85Å; Q363-T372 PolarHBondContact O-OG1 3.05Å; Q363-F374 HydrophobicContact CB-CB 3.9Å; Q363-F374 HydrophobicContact CB-CD2 4.17Å; Q363-F374 HydrophobicContact CB-CG 4.29Å; Q363-F374 VanDerWaalsContact NE2-CD2 3.31Å; Q363-F374 VanDerWaalsContact NE2-CE2 3.32Å
364Y98.5Very high94.6Very high3 Ų359.3 Ų59.31%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-109.6133.6170.7175.4-103.6000110.7Y304 A328 K345 I346 P366 D369 I370 W371Y304-Y364 HydrophobicContact CD1-CE1 4.05Å; Y304-Y364 AromaticContact CE1-CE1 3.66Å; Y304-Y364 HydrophobicContact CE1-CE1 3.66Å; A328-Y364 HydrophobicContact CB-CE2 4.22Å; K345-Y364 WeakPolarHBondContact CB-O 3.28Å; I346-Y364 HydrophobicContact CB-CD1 4.47Å; I346-Y364 HydrophobicContact CD1-CD1 3.85Å; I346-Y364 HydrophobicContact CD1-CE1 4.42Å; I346-Y364 HydrophobicContact CG1-CD1 4.28Å; I346-Y364 PolarHBondContact N-O 2.9Å; I346-Y364 VanDerWaalsContact N-O 3.07Å; I346-Y364 PolarHBondContact O-N 3.42Å; Y364-P366 HydrophobicContact CD1-CG 4.08Å; Y364-P366 HydrophobicContact CE1-CB 4.19Å; Y364-P366 HydrophobicContact CE1-CG 3.93Å; Y364-P366 WeakPolarHBondContact O-CD 3.43Å; Y364-D369 WeakPolarHBondContact CE2-OD1 3.19Å; Y364-D369 PolarHBondContact OH-OD1 2.81Å; Y364-I370 WeakPolarHBondContact CA-O 3.05Å; Y364-W371 AromaticContact CD2-CD1 3.71Å; Y364-W371 AromaticContact CD2-CD2 3.93Å; Y364-W371 HydrophobicContact CD2-CD2 3.93Å; Y364-W371 AromaticContact CD2-CE2 3.58Å; Y364-W371 AromaticContact CD2-CG 4Å; Y364-W371 HydrophobicContact CD2-CG 4Å; Y364-W371 HydrophobicContact CD2-CZ2 4.09Å; Y364-W371 AromaticContact CD2-NE1 3.44Å; Y364-W371 HydrophobicContact CG-CD2 4.21Å; Y364-W371 AromaticContact CG-CE2 3.86Å; Y364-W371 HydrophobicContact CG-CH2 4.34Å; Y364-W371 AromaticContact CG-CZ2 3.94Å; Y364-W371 HydrophobicContact CG-CZ2 3.94Å
365C97.8Very high95Very high27 Ų2757.1 Ų57.118%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-107108.7175.5-170.70000110.1S367 S368 D369 I370C365-S367 VanDerWaalsContact C-N 3.26Å; C365-S367 PolarHBondContact O-N 2.78Å; C365-S367 PolarHBondContact SG-OG 2.78Å; C365-S368 WeakPolarHBondContact CB-OG 3.19Å; C365-S368 PolarHBondContact O-N 2.88Å; C365-S368 PolarHBondContact O-OG 2.99Å; C365-D369 PolarHBondContact O-N 2.81Å; C365-I370 PolarHBondContact N-O 2.9Å
366P97.1Very high95.5Very high24 Ų2449.2 Ų49.216%0.15627%0.271CS..THydrogen-bonded Turntrans-59.6-29.5-178.3-29.737.1000115.6V299 G344 Y364V299-P366 HydrophobicContact CG1-CG 3.96Å; G344-P366 WeakPolarHBondContact O-CD 3.44Å; Y364-P366 HydrophobicContact CD1-CG 4.08Å; Y364-P366 HydrophobicContact CE1-CB 4.19Å; Y364-P366 HydrophobicContact CE1-CG 3.93Å; Y364-P366 WeakPolarHBondContact O-CD 3.43Å
367S96.3Very high95.5Very high111 Ų11145.2 Ų45.278%0.77625%0.25SS*.THydrogen-bonded Turntrans-76.2-29.8-178.153.10000113.1C365C365-S367 VanDerWaalsContact C-N 3.26Å; C365-S367 PolarHBondContact O-N 2.78Å; C365-S367 PolarHBondContact SG-OG 2.78Å
368S97.2Very high95.3Very high60 Ų6048.7 Ų48.742%0.4228%0.275SS..THydrogen-bonded Turntrans-101.5-11.3178.167.30000113.5C365 I370C365-S368 WeakPolarHBondContact CB-OG 3.19Å; C365-S368 PolarHBondContact O-N 2.88Å; C365-S368 PolarHBondContact O-OG 2.99Å; S368-I370 WeakPolarHBondContact O-CG1 3.14Å
369D97.9Very high94.9Very high68 Ų6849.6 Ų49.636%0.36428%0.281SS..THydrogen-bonded Turntrans53.950.3-173.5-169.920.9000112.8V327 A328 Y364 C365V327-D369 WeakPolarHBondContact CB-OD1 3.22Å; A328-D369 VanDerWaalsContact CB-O 3.27Å; A328-D369 WeakPolarHBondContact CB-O 3.47Å; A328-D369 WeakPolarHBondContact CB-OD1 3.27Å; A328-D369 PolarHBondContact N-OD1 3.22Å; A328-D369 PolarHBondContact N-OD2 2.85Å; Y364-D369 WeakPolarHBondContact CE2-OD1 3.19Å; Y364-D369 PolarHBondContact OH-OD1 2.81Å; C365-D369 PolarHBondContact O-N 2.81Å
370I97.9Very high94.6Very high89 Ų8948 Ų4846%0.45627%0.273SS..EExtended strand (participates in β ladder)trans-135136.3-176.2-65.6166.3000110.7Y364 C365 S368 T372Y364-I370 WeakPolarHBondContact CA-O 3.05Å; C365-I370 PolarHBondContact N-O 2.9Å; S368-I370 WeakPolarHBondContact O-CG1 3.14Å; I370-T372 HydrophobicContact CG2-CG2 4.04Å
371W98.1Very high94.2Very high29 Ų2945.7 Ų45.711%0.1126%0.26CS..EExtended strand (participates in β ladder)trans-91133.5165.1-71.193.1000111I306 V314 A328 P329 L330 P331 I346 V348 L362 Q363 Y364I306-W371 HydrophobicContact CG2-CH2 4.31Å; I306-W371 HydrophobicContact CG2-CZ2 4.36Å; V314-W371 HydrophobicContact CG2-CZ2 4.07Å; A328-W371 PolarHBondContact O-NE1 2.73Å; P329-W371 PolarHBondContact O-NE1 3.44Å; L330-W371 HydrophobicContact CD2-CD2 4.13Å; L330-W371 HydrophobicContact CD2-CE3 4.08Å; L330-W371 HydrophobicContact CD2-CH2 3.67Å; L330-W371 HydrophobicContact CD2-CZ2 3.7Å; L330-W371 HydrophobicContact CD2-CZ3 3.86Å; L330-W371 HydrophobicContact CG-CZ2 4.4Å; P331-W371 HydrophobicContact CG-CB 4.37Å; I346-W371 HydrophobicContact CG2-CH2 4.45Å; V348-W371 HydrophobicContact CB-CZ3 4.26Å; V348-W371 HydrophobicContact CG2-CH2 3.68Å; V348-W371 HydrophobicContact CG2-CZ3 3.75Å; L362-W371 HydrophobicContact CB-CE3 3.84Å; L362-W371 HydrophobicContact CB-CZ3 4.03Å; Q363-W371 CarbonylContact O-C 3.57Å; Q363-W371 WeakPolarHBondContact O-CA 3.46Å; Y364-W371 AromaticContact CD2-CD1 3.71Å; Y364-W371 AromaticContact CD2-CD2 3.93Å; Y364-W371 HydrophobicContact CD2-CD2 3.93Å; Y364-W371 AromaticContact CD2-CE2 3.58Å; Y364-W371 AromaticContact CD2-CG 4Å; Y364-W371 HydrophobicContact CD2-CG 4Å; Y364-W371 HydrophobicContact CD2-CZ2 4.09Å; Y364-W371 AromaticContact CD2-NE1 3.44Å; Y364-W371 HydrophobicContact CG-CD2 4.21Å; Y364-W371 AromaticContact CG-CE2 3.86Å; Y364-W371 HydrophobicContact CG-CH2 4.34Å; Y364-W371 AromaticContact CG-CZ2 3.94Å; Y364-W371 HydrophobicContact CG-CZ2 3.94Å
372T97.5Very high93.7Very high63 Ų6348.4 Ų48.439%0.38727%0.27SS..EExtended strand (participates in β ladder)trans-127.1146.8175.258.40000110.6Q363 I370 F374Q363-T372 PolarHBondContact N-O 2.94Å; Q363-T372 PolarHBondContact O-N 2.85Å; Q363-T372 PolarHBondContact O-OG1 3.05Å; I370-T372 HydrophobicContact CG2-CG2 4.04Å; T372-F374 PolarHBondContact O-N 3.07Å
373L96.7Very high93Very high102 Ų10250.8 Ų50.853%0.53428%0.28SS..EExtended strand (participates in β ladder)trans-69.2114.6165175.362.2000108.4N360 E375N360-L373 HydrophobicContact CB-CD1 3.42Å; N360-L373 VanDerWaalsContact CB-CD1 3.42Å; L373-E375 WeakPolarHBondContact CD1-O 3.49Å
374F96.1Very high92.4Very high26 Ų2650 Ų5011%0.11428%0.277CS..EExtended strand (participates in β ladder)trans-85.1-50.3-179.6-170.4-110.1000111.5Y347 I361 Q363 T372 Y421 T423Y347-F374 HydrophobicContact CD1-CD1 4.31Å; Y347-F374 HydrophobicContact CD1-CG 4.48Å; Y347-F374 AromaticContact CE1-CD1 3.85Å; Y347-F374 HydrophobicContact CE1-CD1 3.85Å; Y347-F374 HydrophobicContact CE1-CD2 4.12Å; Y347-F374 AromaticContact CE1-CE1 3.86Å; Y347-F374 HydrophobicContact CE1-CE1 3.86Å; Y347-F374 HydrophobicContact CE1-CE2 4.17Å; Y347-F374 AromaticContact CE1-CG 3.97Å; Y347-F374 HydrophobicContact CE1-CG 3.97Å; Y347-F374 HydrophobicContact CE1-CZ 4.04Å; I361-F374 HydrophobicContact CB-CB 4.32Å; I361-F374 HydrophobicContact CG2-CB 4.04Å; I361-F374 HydrophobicContact CG2-CD1 4.05Å; I361-F374 HydrophobicContact CG2-CG 4.48Å; I361-F374 WeakPolarHBondContact O-CB 3.44Å; I361-F374 PolarHBondContact O-N 3.47Å; Q363-F374 HydrophobicContact CB-CB 3.9Å; Q363-F374 HydrophobicContact CB-CD2 4.17Å; Q363-F374 HydrophobicContact CB-CG 4.29Å; Q363-F374 VanDerWaalsContact NE2-CD2 3.31Å; Q363-F374 VanDerWaalsContact NE2-CE2 3.32Å; T372-F374 PolarHBondContact O-N 3.07Å; F374-Y421 HydrophobicContact CD1-CE1 4.34Å; F374-Y421 AromaticContact CE1-CE1 3.83Å; F374-Y421 HydrophobicContact CE1-CE1 3.83Å; F374-Y421 AromaticContact CE1-CZ 3.97Å; F374-Y421 WeakPolarHBondContact CE1-OH 3.14Å; F374-T423 WeakPolarHBondContact CZ-O 3.42Å
375E94.5Very high92.1Very high56 Ų5651.1 Ų51.126%0.26228%0.282SS..EExtended strand (participates in β ladder)trans-161.3168.6179.8-172.5160.5-173.800110I361 L373 Y421I361-E375 HydrophobicContact CB-CB 4.44Å; I361-E375 HydrophobicContact CD1-CB 4.15Å; I361-E375 HydrophobicContact CG1-CB 4.48Å; I361-E375 PolarHBondContact N-O 3.39Å; I361-E375 PolarHBondContact O-N 3.04Å; L373-E375 WeakPolarHBondContact CD1-O 3.49Å; E375-Y421 PolarHBondContact OE2-OH 2.81Å
376T93.1Very high91.9Very high71 Ų7150.7 Ų50.744%0.43628%0.277SS..EExtended strand (participates in β ladder)trans-118.3127.9173.5-590000109M359 N360M359-T376 HydrophobicContact CB-CG2 3.85Å; M359-T376 CarbonylContact O-C 3.54Å; M359-T376 WeakPolarHBondContact O-CA 3.3Å; N360-T376 PolarHBondContact OD1-OG1 3.14Å
377C88.8Confident91.8Very high13 Ų1350.4 Ų50.49%0.08828%0.275CS..  trans-74.3147175.8-61.20000111.1M359 V379M359-C377 HydrophobicContact CE-CB 4.49Å; M359-C377 WeakPolarHBondContact CE-O 3.33Å; M359-C377 PolarHBondContact O-N 3.33Å; C377-V379 WeakPolarHBondContact CB-O 3.49Å
378D85.9Confident91.8Very high148 Ų14846.4 Ų46.479%0.79125%0.247SC*.SBendtrans-78.8-23.7172.3-62.8-44.4000112.6
379V83.3Confident91.6Very high30 Ų3045.2 Ų45.218%0.18224%0.237CC..SBendtrans-119.7137.7-177.7-1770000109.7C377 L400C377-V379 WeakPolarHBondContact CB-O 3.49Å; V379-L400 HydrophobicContact CG1-CB 4.22Å; V379-L400 HydrophobicContact CG1-CD2 3.91Å
380H85.4Confident91.4Very high2 Ų249.1 Ų49.11%0.00925%0.253CS..EExtended strand (participates in β ladder)trans-77.5133.1175.7179.5-118.2000110G351 Y352 M359 H401G351-H380 PolarHBondContact O-NE2 3.4Å; Y352-H380 AromaticContact CE1-CE1 3.51Å; Y352-H380 AromaticContact CZ-CE1 3.44Å; Y352-H380 VanDerWaalsContact CZ-CE1 3.44Å; M359-H380 HydrophobicContact CE-CB 4.28Å; M359-H380 HydrophobicContact SD-CB 3.56Å; M359-H380 VanDerWaalsContact SD-CB 3.56Å; H380-H401 HydrophobicContact CB-CB 4.41Å; H380-H401 PolarHBondContact N-O 3.18Å; H380-H401 PolarHBondContact O-N 2.86Å
381I85Confident91.2Very high8 Ų847.7 Ų47.74%0.04125%0.245CC..EExtended strand (participates in β ladder)trans-128.8145.4-179.3-29.9174.1000110.8G350 G351 Q384 C399 L400 W428G350-I381 CarbonylContact C-O 3.51Å; G350-I381 WeakPolarHBondContact CA-O 3.35Å; G351-I381 PolarHBondContact N-O 2.89Å; I381-Q384 HydrophobicContact CG2-CB 4.48Å; I381-C399 WeakPolarHBondContact CA-O 3.31Å; I381-C399 WeakPolarHBondContact CG2-O 3.13Å; I381-L400 HydrophobicContact CD1-CD2 4.25Å; I381-L400 HydrophobicContact CG1-CD2 4.03Å; I381-L400 HydrophobicContact CG2-CD2 4.2Å; I381-L400 HydrophobicContact CG2-CG 4.26Å; I381-W428 HydrophobicContact CD1-CH2 4.49Å
382R85.9Confident91.1Very high57 Ų5747.4 Ų47.422%0.21525%0.246CC..EExtended strand (participates in β ladder)trans-152.8159.8177.665.6178.4-171.3109.72.3112.3E336 Y352 Q384 G398 C399E336-R382 HydrophobicContact CB-CB 4.36Å; E336-R382 IonicContact OE1-NH1 3.1Å; E336-R382 WeakPolarHBondContact OE2-CD 3.1Å; E336-R382 IonicContact OE2-CZ 2.61Å; E336-R382 IonicContact OE2-NH1 3.82Å; E336-R382 PolarHBondContact OE2-NH1 3.29Å; Y352-R382 HydrophobicContact CE2-CB 4.4Å; Y352-R382 WeakPolarHBondContact OH-CD 3.43Å; R382-Q384 PolarHBondContact O-N 2.94Å; R382-G398 CarbonylContact O-C 3.58Å; R382-G398 WeakPolarHBondContact O-CA 3.39Å; R382-C399 HydrophobicContact CG-CB 3.87Å; R382-C399 PolarHBondContact N-O 2.95Å; R382-C399 PolarHBondContact NH2-SG 3.2Å; R382-C399 PolarHBondContact O-N 3.5Å
383K82.5Confident91Very high64 Ų6444.4 Ų44.428%0.27823%0.228SC..SBendtrans59.16.9177.4-61.7-169.7173.7-172.50116.2E336 L440E336-K383 HydrophobicContact CB-CG 4.12Å; E336-K383 HydrophobicContact CG-CG 4.38Å; E336-K383 PolarHBondContact O-N 3.03Å; E336-K383 WeakPolarHBondContact OE1-CE 3.46Å; E336-K383 IonicContact OE1-NZ 2.96Å; E336-K383 VanDerWaalsContact OE2-CE 3.23Å; E336-K383 WeakPolarHBondContact OE2-CE 3.04Å; K383-L440 HydrophobicContact CB-CD2 4.42Å
384Q84.8Confident90.9Very high0 Ų040.9 Ų40.90%021%0.208CC..  trans-62.5160.3174.162.2-159.3-13.800111.7S338 I349 I381 R382 I395 V396S338-Q384 VanDerWaalsContact CB-CG 3.48Å; S338-Q384 WeakPolarHBondContact OG-CG 3.49Å; S338-Q384 PolarHBondContact OG-O 3.34Å; I349-Q384 PolarHBondContact O-NE2 3.13Å; I349-Q384 VanDerWaalsContact O-NE2 3.1Å; I381-Q384 HydrophobicContact CG2-CB 4.48Å; R382-Q384 PolarHBondContact O-N 2.94Å; Q384-I395 HydrophobicContact CB-CG2 3.67Å; Q384-I395 HydrophobicContact CG-CG2 3.91Å; Q384-V396 WeakPolarHBondContact CA-O 3.41Å
385Q91.6Very high90.7Very high26 Ų2639.9 Ų39.912%0.12120%0.203CC..EExtended strand (participates in β ladder)trans-107.8148.6163.9-54.9-57.4-67.200109I395 V396 L442 C444Q385-I395 WeakPolarHBondContact O-CA 3.12Å; Q385-V396 PolarHBondContact N-O 2.92Å; Q385-V396 PolarHBondContact O-N 2.68Å; Q385-L442 HydrophobicContact CG-CB 4.38Å; Q385-L442 WeakPolarHBondContact CG-O 3.15Å; Q385-L442 PolarHBondContact NE2-O 3.07Å; Q385-C444 HydrophobicContact CB-CB 4.34Å; Q385-C444 WeakPolarHBondContact CB-SG 3.43Å
386M94.8Very high90.5Very high17 Ų1737.2 Ų37.28%0.08419%0.191CC..EExtended strand (participates in β ladder)trans-126.3133.4-177.9-71.3170.868.300109.9S338 C340 I349 I393 Y394 I395S338-M386 WeakPolarHBondContact CB-SD 3.34Å; C340-M386 HydrophobicContact CB-CB 3.81Å; I349-M386 HydrophobicContact CB-CE 4.3Å; I349-M386 HydrophobicContact CB-SD 4.03Å; I349-M386 HydrophobicContact CD1-CE 3.57Å; I349-M386 HydrophobicContact CD1-SD 4.3Å; I349-M386 HydrophobicContact CG1-CE 3.75Å; I349-M386 HydrophobicContact CG1-SD 4.16Å; M386-I393 HydrophobicContact CE-CD1 4.5Å; M386-I393 HydrophobicContact CE-CG2 3.55Å; M386-Y394 WeakPolarHBondContact CA-O 3.34Å; M386-I395 HydrophobicContact CG-CG1 4.24Å
387V95.4Very high90.1Very high19 Ų1933.9 Ų33.912%0.11517%0.171CC..EExtended strand (participates in β ladder)trans-136.2155.4169.3-65.80000108.2Y394 I451V387-Y394 PolarHBondContact N-O 3.05Å; V387-Y394 PolarHBondContact O-N 2.94Å; V387-I451 HydrophobicContact CG2-CD1 3.58Å; V387-I451 HydrophobicContact CG2-CG1 3.87Å; V387-I451 HydrophobicContact CG2-CG2 4.02Å
388S95.4Very high89.6Confident27 Ų2733.5 Ų33.519%0.18917%0.169CC..EExtended strand (participates in β ladder)trans-120.5149.9177.961.60000111.2E341 T392E341-S388 WeakPolarHBondContact O-CB 3.36Å; E341-S388 PolarHBondContact O-OG 2.7Å; S388-T392 CarbonylContact C-O 3.55Å; S388-T392 VanDerWaalsContact CA-O 3.27Å; S388-T392 WeakPolarHBondContact CA-O 3.35Å
389V94.2Very high88.9Confident34 Ų3427.1 Ų27.121%0.20614%0.136CC..EExtended strand (participates in β ladder)trans-133.9117.4167.4-1750000105.8E391 T392 Y394 L446 I474V389-E391 PolarHBondContact O-N 3.1Å; V389-T392 PolarHBondContact N-O 3.23Å; V389-T392 PolarHBondContact O-N 3.27Å; V389-Y394 HydrophobicContact CB-CE2 4.02Å; V389-Y394 HydrophobicContact CG2-CD2 4.24Å; V389-Y394 HydrophobicContact CG2-CE2 3.98Å; V389-L446 HydrophobicContact CG2-CD1 3.74Å; V389-L446 HydrophobicContact CG2-CD2 3.84Å; V389-L446 HydrophobicContact CG2-CG 4.47Å; V389-I474 HydrophobicContact CG1-CD1 4.12Å; V389-I474 HydrophobicContact CG2-CD1 3.96Å
390E91.7Very high88.2Confident150 Ų15028.4 Ų28.470%0.70114%0.141SC*.THydrogen-bonded Turntrans55.2-120.3-176.4-56.5177.9162.300112.3C342C342-E390 PolarHBondContact SG-O 2.81Å
391E94.1Very high87.3Confident59 Ų5933.6 Ų33.628%0.27617%0.165SC..THydrogen-bonded Turntrans-83.1-6.3173.744-98-145.600115.3K343 V389 N422 T423 V424K343-E391 HydrophobicContact CD-CB 4.2Å; K343-E391 WeakPolarHBondContact CE-OE2 3.23Å; K343-E391 IonicContact NZ-OE2 2.6Å; K343-E391 PolarHBondContact NZ-OE2 2.91Å; V389-E391 PolarHBondContact O-N 3.1Å; E391-N422 WeakPolarHBondContact CG-ND2 3.44Å; E391-T423 WeakPolarHBondContact O-CB 3.28Å; E391-T423 WeakPolarHBondContact O-CG2 3.22Å; E391-T423 PolarHBondContact O-N 3.18Å; E391-T423 PolarHBondContact O-OG1 2.9Å; E391-V424 HydrophobicContact CB-CG2 3.85Å; E391-V424 HydrophobicContact CG-CG2 4.46Å
392T95.9Very high85.9Confident23 Ų2340 Ų4014%0.14120%0.195CC..EExtended strand (participates in β ladder)trans-105.2125.8-167.9-57.30000110.5S388 V389 Y394S388-T392 CarbonylContact C-O 3.55Å; S388-T392 VanDerWaalsContact CA-O 3.27Å; S388-T392 WeakPolarHBondContact CA-O 3.35Å; V389-T392 PolarHBondContact N-O 3.23Å; V389-T392 PolarHBondContact O-N 3.27Å; T392-Y394 HydrophobicContact CG2-CD2 4.19Å; T392-Y394 HydrophobicContact CG2-CE2 3.71Å
393I96.3Very high84.3Confident0 Ų042.1 Ų42.10%021%0.21CC..EExtended strand (participates in β ladder)trans-95122.4173.5-64.3174.9000107.9C342 Y347 M386 I395 S420 Y421 T423C342-I393 HydrophobicContact CB-CD1 4.05Å; C342-I393 HydrophobicContact CB-CG1 3.87Å; Y347-I393 HydrophobicContact CD1-CD1 4.2Å; Y347-I393 HydrophobicContact CD2-CD1 3.76Å; Y347-I393 HydrophobicContact CE2-CD1 4.34Å; Y347-I393 HydrophobicContact CG-CD1 3.67Å; M386-I393 HydrophobicContact CE-CD1 4.5Å; M386-I393 HydrophobicContact CE-CG2 3.55Å; I393-I395 HydrophobicContact CG2-CG1 4.22Å; I393-S420 CarbonylContact O-C 3.51Å; I393-S420 VanDerWaalsContact O-CA 3.28Å; I393-S420 WeakPolarHBondContact O-CA 3.38Å; I393-Y421 PolarHBondContact N-O 2.77Å; I393-Y421 PolarHBondContact O-N 2.86Å; I393-T423 HydrophobicContact CD1-CG2 3.61Å; I393-T423 HydrophobicContact CG1-CG2 3.96Å
394Y94.9Very high82.7Confident28 Ų2841.4 Ų41.411%0.1122%0.221CC..EExtended strand (participates in β ladder)trans-96.8133.4171.8-66.3-98.2000109.8M386 V387 V389 T392 V418 Q419 L431 I451 Y472 I474M386-Y394 WeakPolarHBondContact CA-O 3.34Å; V387-Y394 PolarHBondContact N-O 3.05Å; V387-Y394 PolarHBondContact O-N 2.94Å; V389-Y394 HydrophobicContact CB-CE2 4.02Å; V389-Y394 HydrophobicContact CG2-CD2 4.24Å; V389-Y394 HydrophobicContact CG2-CE2 3.98Å; T392-Y394 HydrophobicContact CG2-CD2 4.19Å; T392-Y394 HydrophobicContact CG2-CE2 3.71Å; Y394-V418 HydrophobicContact CD1-CG1 4.36Å; Y394-Q419 CarbonylContact C-O 3.51Å; Y394-Q419 WeakPolarHBondContact CA-O 3.16Å; Y394-L431 HydrophobicContact CD1-CD1 3.85Å; Y394-L431 HydrophobicContact CE1-CD1 3.71Å; Y394-I451 HydrophobicContact CD1-CD1 3.95Å; Y394-I451 HydrophobicContact CD2-CD1 4.32Å; Y394-I451 HydrophobicContact CG-CD1 3.68Å; Y394-Y472 HydrophobicContact CD1-CE1 4.46Å; Y394-Y472 HydrophobicContact CE1-CE1 4.34Å; Y394-I474 HydrophobicContact CE1-CB 4.48Å; Y394-I474 HydrophobicContact CE1-CG2 4.11Å
395I92.1Very high80.7Confident5 Ų548 Ų483%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-117123.8-179.3-54.6-166.1000107.8I349 Q384 Q385 M386 I393 V418 Q419 W428I349-I395 HydrophobicContact CD1-CD1 3.85Å; Q384-I395 HydrophobicContact CB-CG2 3.67Å; Q384-I395 HydrophobicContact CG-CG2 3.91Å; Q385-I395 WeakPolarHBondContact O-CA 3.12Å; M386-I395 HydrophobicContact CG-CG1 4.24Å; I393-I395 HydrophobicContact CG2-CG1 4.22Å; I395-V418 CarbonylContact O-C 3.55Å; I395-V418 VanDerWaalsContact O-CA 3.31Å; I395-V418 WeakPolarHBondContact O-CA 3.07Å; I395-Q419 PolarHBondContact N-O 2.92Å; I395-Q419 PolarHBondContact O-N 3Å; I395-W428 HydrophobicContact CD1-CH2 3.46Å; I395-W428 VanDerWaalsContact CD1-CH2 3.46Å; I395-W428 HydrophobicContact CD1-CZ3 3.53Å; I395-W428 HydrophobicContact CG1-CZ3 4.39Å
396V89.9Confident78.2Confident1 Ų154.1 Ų54.11%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-122.9129.4-173.1-176.60000111Q384 Q385 L416 V418 I451 I453Q384-V396 WeakPolarHBondContact CA-O 3.41Å; Q385-V396 PolarHBondContact N-O 2.92Å; Q385-V396 PolarHBondContact O-N 2.68Å; V396-L416 HydrophobicContact CG1-CD1 3.99Å; V396-V418 HydrophobicContact CB-CG2 4.47Å; V396-V418 HydrophobicContact CG1-CG2 4.12Å; V396-V418 HydrophobicContact CG2-CG1 4.34Å; V396-V418 HydrophobicContact CG2-CG2 4.11Å; V396-I451 HydrophobicContact CG2-CG2 4.18Å; V396-I453 HydrophobicContact CB-CD1 4.48Å; V396-I453 HydrophobicContact CG1-CD1 3.35Å; V396-I453 HydrophobicContact CG1-CG1 3.76Å; V396-I453 HydrophobicContact CG1-CG2 4.12Å; V396-I453 HydrophobicContact CG2-CD1 4.37Å
397G85.3Confident75.9Confident1 Ų163.9 Ų63.91%0.0133%0.333CS..SBendtrans63.4-150.717700000113.2T417 G439G397-T417 PolarHBondContact N-O 3.24Å; G397-G439 CarbonylContact C-O 3.44Å; G397-G439 WeakPolarHBondContact CA-O 3.37Å
398G78.3Confident73.1Confident4 Ų474 Ų744%0.04137%0.369CS..SBendtrans86.7-172.9-174.500000113.5R382 G439 L440R382-G398 CarbonylContact O-C 3.58Å; R382-G398 WeakPolarHBondContact O-CA 3.39Å; G398-G439 PolarHBondContact N-O 2.8Å; G398-L440 VanDerWaalsContact C-CD2 3.48Å
399C69.3Low70.6Confident14 Ų1479 Ų7910%0.09541%0.405CS..EExtended strand (participates in β ladder)trans-106134.8169.6-60.50000109.6I381 R382 L440I381-C399 WeakPolarHBondContact CA-O 3.31Å; I381-C399 WeakPolarHBondContact CG2-O 3.13Å; R382-C399 HydrophobicContact CG-CB 3.87Å; R382-C399 PolarHBondContact N-O 2.95Å; R382-C399 PolarHBondContact NH2-SG 3.2Å; R382-C399 PolarHBondContact O-N 3.5Å; C399-L440 WeakPolarHBondContact SG-CD2 3.4Å
400L69.5Low67.9Low58 Ų5882 Ų8230%0.30443%0.427SS..EExtended strand (participates in β ladder)trans-103130.7166.6-70.1134.7000109V379 I381 T417V379-L400 HydrophobicContact CG1-CB 4.22Å; V379-L400 HydrophobicContact CG1-CD2 3.91Å; I381-L400 HydrophobicContact CD1-CD2 4.25Å; I381-L400 HydrophobicContact CG1-CD2 4.03Å; I381-L400 HydrophobicContact CG2-CD2 4.2Å; I381-L400 HydrophobicContact CG2-CG 4.26Å; L400-T417 HydrophobicContact CD1-CG2 4.18Å
401H65.6Low65.6Low110 Ų11082.1 Ų82.151%0.50943%0.428SS..EExtended strand (participates in β ladder)trans-121.9105.6175.6-170.280.6000110.7H380H380-H401 HydrophobicContact CB-CB 4.41Å; H380-H401 PolarHBondContact N-O 3.18Å; H380-H401 PolarHBondContact O-N 2.86Å
402E57.1Low63.5Low143 Ų14383.6 Ų83.667%0.66844%0.444SS*.  trans-71.8134.4176-67.8-176.2173.200111.5G404E402-G404 PolarHBondContact O-N 2.85Å
403L51.8Low61.4Low102 Ų10289.3 Ų89.353%0.53447%0.469SS..  trans-82.290.3178.4-75.5159000110.4M359M359-L403 HydrophobicContact CE-CD1 4.09Å
404G49.1Very low59.7Low49 Ų4992.3 Ų92.351%0.50549%0.485SS..  trans-131.4134.2174.900000113.1E402 N406E402-G404 PolarHBondContact O-N 2.85Å; G404-N406 PolarHBondContact O-N 2.92Å; G404-N406 VanDerWaalsContact O-N 3.15Å
405P42.3Very low58.3Low138 Ų13893.8 Ų93.890%0.89649%0.494SS*.THydrogen-bonded Turntrans-73.7-2.7-175.928.4-33000114.5
406N39.6Very low57.5Low155 Ų15593.5 Ų93.583%0.82949%0.493SS*.THydrogen-bonded Turntrans-135.618.6-166.1-104.4-8.2000116.6G404G404-N406 PolarHBondContact O-N 2.92Å; G404-N406 VanDerWaalsContact O-N 3.15Å
407R45.8Very low57.1Low222 Ų22294.3 Ų94.384%0.83850%0.498SS*.  trans-110.1109.9166.1-72.8-169.8176.2-166.11.5109.6S409R407-S409 PolarHBondContact O-N 2.93Å
408R37.3Very low57.2Low231 Ų23194.4 Ų94.487%0.87250%0.498SS*.  trans-48.2140.8159.1-70.4179.8-178.4177.50.4107.2S410R408-S410 WeakPolarHBondContact O-CB 3.48Å; R408-S410 PolarHBondContact O-N 2.91Å
409S42.6Very low57.8Low133 Ų13394.6 Ų94.693%0.9350%0.497SS*.SBendtrans-52.169.7175.356.20000112.6R407R407-S409 PolarHBondContact O-N 2.93Å
410S38.3Very low58.9Low97 Ų9794.3 Ų94.368%0.67850%0.496SS*.  trans-116.6100.4-176.1-167.10000105.8R408R408-S410 WeakPolarHBondContact O-CB 3.48Å; R408-S410 PolarHBondContact O-N 2.91Å
411Q42.9Very low60.1Low152 Ų15291.5 Ų91.571%0.7148%0.481SS*.  trans6485.9170.5-58.9179.7-10.800114.5E413Q411-E413 HydrophobicContact CB-CG 4.13Å; Q411-E413 PolarHBondContact O-N 2.97Å
412S49.6Very low61.5Low89 Ų8987.8 Ų87.862%0.62247%0.465SS*.  trans-66.990146.665.60000105.5D414S412-D414 PolarHBondContact O-N 3.39Å; S412-D414 VanDerWaalsContact O-N 3.15Å
413E52.6Low63.3Low143 Ų14381.5 Ų81.567%0.66844%0.436SS*.  trans-62.9120.8170.7-66.3-157.9152.200106.5Q411 M415Q411-E413 HydrophobicContact CB-CG 4.13Å; Q411-E413 PolarHBondContact O-N 2.97Å; E413-M415 PolarHBondContact O-N 3.05Å
414D61Low65.3Low63 Ų6381.2 Ų81.234%0.33744%0.438SS..  trans-69.652.2175.6-66.7-36.1000109.4S412 K437 S438 G439 L440S412-D414 PolarHBondContact O-N 3.39Å; S412-D414 VanDerWaalsContact O-N 3.15Å; D414-K437 CarbonylContact O-C 3.53Å; D414-S438 CarbonylContact O-C 3.59Å; D414-S438 WeakPolarHBondContact O-CA 3.09Å; D414-S438 PolarHBondContact O-N 3.05Å; D414-G439 PolarHBondContact O-N 2.99Å; D414-L440 HydrophobicContact CB-CG 4.41Å; D414-L440 WeakPolarHBondContact OD1-CD1 3.1Å
415M64.2Low67.4Low59 Ų5982.5 Ų82.529%0.29144%0.437SS..  trans-74.5133-177.5-170.2168.57600109.2E413 T417 E433E413-M415 PolarHBondContact O-N 3.05Å; M415-T417 HydrophobicContact CE-CG2 3.88Å; M415-T417 PolarHBondContact O-N 3.49Å; M415-T417 VanDerWaalsContact O-N 3.1Å; M415-E433 HydrophobicContact CE-CB 4.45Å; M415-E433 HydrophobicContact CE-CG 4.04Å; M415-E433 WeakPolarHBondContact CE-OE1 3.49Å; M415-E433 WeakPolarHBondContact CE-OE2 3.24Å
416L76.1Confident69.9Low0 Ų082.2 Ų82.20%042%0.418CS..  trans-74.7100.5174.6177.663.5000110V396 N434 S436 L442 V468 L470 W479V396-L416 HydrophobicContact CG1-CD1 3.99Å; L416-N434 HydrophobicContact CB-CB 4.29Å; L416-N434 HydrophobicContact CD2-CB 4.15Å; L416-N434 HydrophobicContact CG-CB 4.31Å; L416-N434 PolarHBondContact O-N 3.18Å; L416-S436 PolarHBondContact N-O 3.4Å; L416-L442 HydrophobicContact CD1-CD1 3.48Å; L416-L442 VanDerWaalsContact CD1-CD1 3.48Å; L416-V468 HydrophobicContact CD2-CG1 4.13Å; L416-L470 HydrophobicContact CD2-CD1 3.4Å; L416-W479 HydrophobicContact CD2-CH2 3.77Å; L416-W479 HydrophobicContact CD2-CZ3 3.83Å; L416-W479 HydrophobicContact CG-CH2 3.92Å; L416-W479 HydrophobicContact CG-CZ3 4.48Å
417T81.9Confident72.4Confident18 Ų1880.6 Ų80.611%0.1141%0.405CS..  trans-99.8150.7174.560.70000111.8G397 L400 M415G397-T417 PolarHBondContact N-O 3.24Å; L400-T417 HydrophobicContact CD1-CG2 4.18Å; M415-T417 HydrophobicContact CE-CG2 3.88Å; M415-T417 PolarHBondContact O-N 3.49Å; M415-T417 VanDerWaalsContact O-N 3.1Å
418V86.2Confident74.5Confident2 Ų273.1 Ų73.11%0.01238%0.377CS..EExtended strand (participates in β ladder)trans-122.6132.1163.9-178.70000108.5Y394 I395 V396 L431 Y472 W479Y394-V418 HydrophobicContact CD1-CG1 4.36Å; I395-V418 CarbonylContact O-C 3.55Å; I395-V418 VanDerWaalsContact O-CA 3.31Å; I395-V418 WeakPolarHBondContact O-CA 3.07Å; V396-V418 HydrophobicContact CB-CG2 4.47Å; V396-V418 HydrophobicContact CG1-CG2 4.12Å; V396-V418 HydrophobicContact CG2-CG1 4.34Å; V396-V418 HydrophobicContact CG2-CG2 4.11Å; V418-L431 HydrophobicContact CB-CB 4.47Å; V418-L431 HydrophobicContact CG1-CD1 3.84Å; V418-L431 WeakPolarHBondContact O-CB 3.45Å; V418-L431 PolarHBondContact O-N 2.91Å; V418-L431 VanDerWaalsContact O-N 3.15Å; V418-Y472 HydrophobicContact CG1-CD1 4.13Å; V418-Y472 HydrophobicContact CG1-CE1 4.06Å; V418-Y472 HydrophobicContact CG2-CG 4.36Å; V418-W479 HydrophobicContact CB-CZ2 4.21Å; V418-W479 HydrophobicContact CG2-CH2 3.35Å; V418-W479 HydrophobicContact CG2-CZ2 3.31Å
419Q90.5Very high77.1Confident8 Ų867 Ų674%0.03736%0.361CS..EExtended strand (participates in β ladder)trans-126.7149.4175-62.6173.12500108.2Y394 I395 W428 L429 Y430Y394-Q419 CarbonylContact C-O 3.51Å; Y394-Q419 WeakPolarHBondContact CA-O 3.16Å; I395-Q419 PolarHBondContact N-O 2.92Å; I395-Q419 PolarHBondContact O-N 3Å; Q419-W428 HydrophobicContact CB-CE3 4.41Å; Q419-W428 HydrophobicContact CB-CZ3 4.41Å; Q419-L429 WeakPolarHBondContact CA-O 3.48Å; Q419-Y430 VanDerWaalsContact CD-CE1 3.47Å; Q419-Y430 HydrophobicContact CG-CD1 3.77Å; Q419-Y430 HydrophobicContact CG-CE1 3.98Å
420S92.8Very high79.2Confident8 Ų868.2 Ų68.26%0.05635%0.346CS..EExtended strand (participates in β ladder)trans-118.7147.4168.763.90000111.1I393 W428 L429I393-S420 CarbonylContact O-C 3.51Å; I393-S420 VanDerWaalsContact O-CA 3.28Å; I393-S420 WeakPolarHBondContact O-CA 3.38Å; S420-W428 WeakPolarHBondContact O-CA 3.12Å; S420-L429 PolarHBondContact N-O 3.2Å; S420-L429 PolarHBondContact O-N 2.78Å
421Y94.5Very high81.5Confident0 Ų065 Ų650%032%0.322CS..EExtended strand (participates in β ladder)trans-131.1116.8177.8176.6-101.9000109I361 F374 E375 I393 T423 Q427 W428I361-Y421 HydrophobicContact CD1-CE1 4.32Å; I361-Y421 HydrophobicContact CD1-CE2 4.49Å; F374-Y421 HydrophobicContact CD1-CE1 4.34Å; F374-Y421 AromaticContact CE1-CE1 3.83Å; F374-Y421 HydrophobicContact CE1-CE1 3.83Å; F374-Y421 AromaticContact CE1-CZ 3.97Å; F374-Y421 WeakPolarHBondContact CE1-OH 3.14Å; E375-Y421 PolarHBondContact OE2-OH 2.81Å; I393-Y421 PolarHBondContact N-O 2.77Å; I393-Y421 PolarHBondContact O-N 2.86Å; Y421-T423 HydrophobicContact CD1-CG2 4.3Å; Y421-T423 HydrophobicContact CE1-CG2 4.25Å; Y421-Q427 WeakPolarHBondContact CA-O 3.45Å; Y421-W428 AromaticContact CD2-CD1 3.74Å; Y421-W428 AromaticContact CD2-CD2 3.61Å; Y421-W428 HydrophobicContact CD2-CD2 3.61Å; Y421-W428 AromaticContact CD2-CE2 3.33Å; Y421-W428 HydrophobicContact CD2-CE3 4.26Å; Y421-W428 AromaticContact CD2-CG 3.87Å; Y421-W428 HydrophobicContact CD2-CG 3.87Å; Y421-W428 HydrophobicContact CD2-CH2 4.42Å; Y421-W428 AromaticContact CD2-CZ2 3.79Å; Y421-W428 HydrophobicContact CD2-CZ2 3.79Å; Y421-W428 AromaticContact CD2-NE1 3.4Å; Y421-W428 AromaticContact CE2-CE2 3.93Å; Y421-W428 HydrophobicContact CE2-CZ2 4.39Å; Y421-W428 AromaticContact CE2-NE1 3.57Å; Y421-W428 HydrophobicContact CG-CD2 4.25Å; Y421-W428 HydrophobicContact CG-CE3 4.48Å; Y421-W428 HydrophobicContact CG-CH2 4.32Å; Y421-W428 HydrophobicContact CG-CZ2 4.07Å
422N95.3Very high83.5Confident31 Ų3163.3 Ų63.317%0.16631%0.312CS..EExtended strand (participates in β ladder)trans-86118.2178.7-174.5-64.3000109.9E391 V424 T425 R426 Q427E391-N422 WeakPolarHBondContact CG-ND2 3.44Å; N422-V424 PolarHBondContact O-N 2.86Å; N422-V424 WeakPolarHBondContact OD1-CA 3.42Å; N422-V424 WeakPolarHBondContact OD1-CB 3.31Å; N422-V424 PolarHBondContact OD1-N 2.87Å; N422-T425 WeakPolarHBondContact CB-OG1 3.4Å; N422-T425 PolarHBondContact OD1-N 2.89Å; N422-T425 PolarHBondContact OD1-OG1 3.11Å; N422-R426 WeakPolarHBondContact O-CA 3.38Å; N422-R426 PolarHBondContact O-N 3.45Å; N422-Q427 PolarHBondContact N-O 2.82Å
423T94.4Very high84.8Confident12 Ų1265 Ų657%0.07431%0.31CS..THydrogen-bonded Turntrans-71.4-16.1-175.558.20000113.9Y347 F374 E391 I393 Y421Y347-T423 HydrophobicContact CE1-CG2 4.03Å; Y347-T423 HydrophobicContact CE2-CG2 4.09Å; F374-T423 WeakPolarHBondContact CZ-O 3.42Å; E391-T423 WeakPolarHBondContact O-CB 3.28Å; E391-T423 WeakPolarHBondContact O-CG2 3.22Å; E391-T423 PolarHBondContact O-N 3.18Å; E391-T423 PolarHBondContact O-OG1 2.9Å; I393-T423 HydrophobicContact CD1-CG2 3.61Å; I393-T423 HydrophobicContact CG1-CG2 3.96Å; Y421-T423 HydrophobicContact CD1-CG2 4.3Å; Y421-T423 HydrophobicContact CE1-CG2 4.25Å
424V94.1Very high85.9Confident95 Ų9559 Ų5958%0.57628%0.282SS*.THydrogen-bonded Turntrans-89.9-52.4177.5-1780000110.7E391 N422 R426E391-V424 HydrophobicContact CB-CG2 3.85Å; E391-V424 HydrophobicContact CG-CG2 4.46Å; N422-V424 PolarHBondContact O-N 2.86Å; N422-V424 WeakPolarHBondContact OD1-CA 3.42Å; N422-V424 WeakPolarHBondContact OD1-CB 3.31Å; N422-V424 PolarHBondContact OD1-N 2.87Å; V424-R426 VanDerWaalsContact C-N 3.33Å
425T94.7Very high86.2Confident76 Ų7662.7 Ų62.747%0.46631%0.308SS..THydrogen-bonded Turntrans-80.6-16.6-178.366.40000113N422 Q427N422-T425 WeakPolarHBondContact CB-OG1 3.4Å; N422-T425 PolarHBondContact OD1-N 2.89Å; N422-T425 PolarHBondContact OD1-OG1 3.11Å; T425-Q427 VanDerWaalsContact C-N 3.28Å; T425-Q427 PolarHBondContact O-N 2.8Å
426R93Very high86.4Confident133 Ų13361.3 Ų61.350%0.50230%0.304SS..THydrogen-bonded Turntrans57.940.4-175.6-55.1-174.6-177.4-161.7-2.6112.7N422 V424N422-R426 WeakPolarHBondContact O-CA 3.38Å; N422-R426 PolarHBondContact O-N 3.45Å; V424-R426 VanDerWaalsContact C-N 3.33Å
427Q92.4Very high85.8Confident121 Ų12167 Ų6757%0.56533%0.328SS*.EExtended strand (participates in β ladder)trans-114.4137.3-179.1-69.3-179.2-26.300110.8Y421 N422 T425Y421-Q427 WeakPolarHBondContact CA-O 3.45Å; N422-Q427 PolarHBondContact N-O 2.82Å; T425-Q427 VanDerWaalsContact C-N 3.28Å; T425-Q427 PolarHBondContact O-N 2.8Å
428W91.4Very high85.1Confident64 Ų6466.9 Ų66.924%0.24233%0.328CS..EExtended strand (participates in β ladder)trans-89.9137.4170.5-70.893000110.2I349 I361 I381 I395 Q419 S420 Y421I349-W428 HydrophobicContact CD1-CH2 4.4Å; I361-W428 HydrophobicContact CD1-CZ2 3.9Å; I381-W428 HydrophobicContact CD1-CH2 4.49Å; I395-W428 HydrophobicContact CD1-CH2 3.46Å; I395-W428 VanDerWaalsContact CD1-CH2 3.46Å; I395-W428 HydrophobicContact CD1-CZ3 3.53Å; I395-W428 HydrophobicContact CG1-CZ3 4.39Å; Q419-W428 HydrophobicContact CB-CE3 4.41Å; Q419-W428 HydrophobicContact CB-CZ3 4.41Å; S420-W428 WeakPolarHBondContact O-CA 3.12Å; Y421-W428 AromaticContact CD2-CD1 3.74Å; Y421-W428 AromaticContact CD2-CD2 3.61Å; Y421-W428 HydrophobicContact CD2-CD2 3.61Å; Y421-W428 AromaticContact CD2-CE2 3.33Å; Y421-W428 HydrophobicContact CD2-CE3 4.26Å; Y421-W428 AromaticContact CD2-CG 3.87Å; Y421-W428 HydrophobicContact CD2-CG 3.87Å; Y421-W428 HydrophobicContact CD2-CH2 4.42Å; Y421-W428 AromaticContact CD2-CZ2 3.79Å; Y421-W428 HydrophobicContact CD2-CZ2 3.79Å; Y421-W428 AromaticContact CD2-NE1 3.4Å; Y421-W428 AromaticContact CE2-CE2 3.93Å; Y421-W428 HydrophobicContact CE2-CZ2 4.39Å; Y421-W428 AromaticContact CE2-NE1 3.57Å; Y421-W428 HydrophobicContact CG-CD2 4.25Å; Y421-W428 HydrophobicContact CG-CE3 4.48Å; Y421-W428 HydrophobicContact CG-CH2 4.32Å; Y421-W428 HydrophobicContact CG-CZ2 4.07Å
429L91.2Very high84Confident103 Ų10366.8 Ų66.854%0.53933%0.328SS..EExtended strand (participates in β ladder)trans-125.7126.7169.5-64.2173.8000109Q419 S420 L431Q419-L429 WeakPolarHBondContact CA-O 3.48Å; S420-L429 PolarHBondContact N-O 3.2Å; S420-L429 PolarHBondContact O-N 2.78Å; L429-L431 HydrophobicContact CB-CD2 4.32Å
430Y85.6Confident83.1Confident158 Ų15867.9 Ų67.962%0.6233%0.334SS*.EExtended strand (participates in β ladder)trans-85120.5170.3-67.7-91.5000108Q419Q419-Y430 VanDerWaalsContact CD-CE1 3.47Å; Q419-Y430 HydrophobicContact CG-CD1 3.77Å; Q419-Y430 HydrophobicContact CG-CE1 3.98Å
431L87.9Confident82.4Confident31 Ų3171.5 Ų71.516%0.16235%0.353CS..PPolyproline II helixtrans-96172.7-176.6-56.5179.9000110.3Y394 V418 L429 E433 Y472Y394-L431 HydrophobicContact CD1-CD1 3.85Å; Y394-L431 HydrophobicContact CE1-CD1 3.71Å; V418-L431 HydrophobicContact CB-CB 4.47Å; V418-L431 HydrophobicContact CG1-CD1 3.84Å; V418-L431 WeakPolarHBondContact O-CB 3.45Å; V418-L431 PolarHBondContact O-N 2.91Å; V418-L431 VanDerWaalsContact O-N 3.15Å; L429-L431 HydrophobicContact CB-CD2 4.32Å; L431-E433 PolarHBondContact O-N 2.84Å; L431-Y472 HydrophobicContact CB-CE2 4.47Å; L431-Y472 WeakPolarHBondContact CB-OH 3.36Å; L431-Y472 HydrophobicContact CD1-CE1 3.81Å; L431-Y472 WeakPolarHBondContact CD1-OH 3.38Å
432K83.9Confident82Confident115 Ų11571.6 Ų71.650%0.535%0.353SS..PPolyproline II helixtrans-52.8126-176.6-171.8172.2-172.6171.10111.4D477 W479K432-D477 VanDerWaalsContact CB-OD1 3.26Å; K432-D477 WeakPolarHBondContact CB-OD1 3.13Å; K432-D477 WeakPolarHBondContact CD-O 3.39Å; K432-D477 PolarHBondContact N-OD1 3.03Å; K432-W479 PolarHBondContact O-NE1 2.81Å
433E77.9Confident81.8Confident124 Ų12470.3 Ų70.358%0.57935%0.346SS*.PPolyproline II helixtrans-72152.2178.9-63.9180164.100111.8M415 L431M415-E433 HydrophobicContact CE-CB 4.45Å; M415-E433 HydrophobicContact CE-CG 4.04Å; M415-E433 WeakPolarHBondContact CE-OE1 3.49Å; M415-E433 WeakPolarHBondContact CE-OE2 3.24Å; L431-E433 PolarHBondContact O-N 2.84Å
434N75.8Confident81.8Confident17 Ų1770.6 Ų70.69%0.09135%0.349CS..PPolyproline II helixtrans-103.3141169.8-162.2-75.7000110L416 S436 W479L416-N434 HydrophobicContact CB-CB 4.29Å; L416-N434 HydrophobicContact CD2-CB 4.15Å; L416-N434 HydrophobicContact CG-CB 4.31Å; L416-N434 PolarHBondContact O-N 3.18Å; N434-S436 PolarHBondContact O-N 3.15Å; N434-S436 WeakPolarHBondContact OD1-CB 3.33Å; N434-S436 PolarHBondContact OD1-N 2.88Å; N434-S436 PolarHBondContact OD1-OG 2.87Å; N434-W479 HydrophobicContact CB-CD2 3.95Å; N434-W479 HydrophobicContact CB-CE3 4.35Å; N434-W479 HydrophobicContact CB-CG 4.35Å; N434-W479 HydrophobicContact CB-CH2 4.24Å; N434-W479 HydrophobicContact CB-CZ2 3.85Å; N434-W479 HydrophobicContact CB-CZ3 4.47Å; N434-W479 VanDerWaalsContact ND2-CE3 3.34Å
435T67.6Low81.8Confident142 Ų14266.5 Ų66.587%0.87133%0.325SS*.  trans-77.30.5178.653.80000113.9
436S67.4Low81.8Confident30 Ų3066 Ų6621%0.2132%0.319CS..  trans-68.7133.4176.9-610000111.4L416 N434 S438L416-S436 PolarHBondContact N-O 3.4Å; N434-S436 PolarHBondContact O-N 3.15Å; N434-S436 WeakPolarHBondContact OD1-CB 3.33Å; N434-S436 PolarHBondContact OD1-N 2.88Å; N434-S436 PolarHBondContact OD1-OG 2.87Å; S436-S438 PolarHBondContact O-N 2.89Å
437K63.2Low81.8Confident119 Ų11959.9 Ų59.952%0.51730%0.296SS..SBendtrans-83.315.7-177.3-59.9-178.5-173.3152.40114.6D414 E465D414-K437 CarbonylContact O-C 3.53Å; K437-E465 IonicContact NZ-OE1 2.67Å; K437-E465 IonicContact NZ-OE2 3.9Å; K437-E465 PolarHBondContact NZ-OE2 3.42Å
438S67.4Low81.6Confident15 Ų1558.3 Ų58.311%0.10529%0.291CS..  trans-132.889.8-174.2-172.30000111.3D414 S436D414-S438 CarbonylContact O-C 3.59Å; D414-S438 WeakPolarHBondContact O-CA 3.09Å; D414-S438 PolarHBondContact O-N 3.05Å; S436-S438 PolarHBondContact O-N 2.89Å
439G62.4Low81.3Confident0 Ų057.9 Ų57.90%029%0.294CS..  trans-92.7-4.2174.500000114.1G397 G398 D414 L442G397-G439 CarbonylContact C-O 3.44Å; G397-G439 WeakPolarHBondContact CA-O 3.37Å; G398-G439 PolarHBondContact N-O 2.8Å; D414-G439 PolarHBondContact O-N 2.99Å; G439-L442 WeakPolarHBondContact O-CD1 3.21Å
440L71.9Confident81.4Confident31 Ų3153 Ų5316%0.16227%0.268CS..SBendtrans-108.2159.2-171.4-60.3-175.6000113.8K383 G398 C399 D414 L442K383-L440 HydrophobicContact CB-CD2 4.42Å; G398-L440 VanDerWaalsContact C-CD2 3.48Å; C399-L440 WeakPolarHBondContact SG-CD2 3.4Å; D414-L440 HydrophobicContact CB-CG 4.41Å; D414-L440 WeakPolarHBondContact OD1-CD1 3.1Å; L440-L442 VanDerWaalsContact C-N 3.32Å; L440-L442 PolarHBondContact O-N 2.71Å
441N78.5Confident81.8Confident85 Ų8545.4 Ų45.446%0.45524%0.238SC..SBendtrans51.550.7179.4-60.9-24.9000112R456N441-R456 VanDerWaalsContact O-CB 3.28Å; N441-R456 WeakPolarHBondContact O-CB 3.15Å; N441-R456 WeakPolarHBondContact O-CG 3.47Å; N441-R456 PolarHBondContact O-N 3.37Å
442L87.2Confident82Confident2 Ų244.1 Ų44.11%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-101.9158.7-179.5-56.3175.3000111.2Q385 L416 G439 L440 I453 M454 R456 V468Q385-L442 HydrophobicContact CG-CB 4.38Å; Q385-L442 WeakPolarHBondContact CG-O 3.15Å; Q385-L442 PolarHBondContact NE2-O 3.07Å; L416-L442 HydrophobicContact CD1-CD1 3.48Å; L416-L442 VanDerWaalsContact CD1-CD1 3.48Å; G439-L442 WeakPolarHBondContact O-CD1 3.21Å; L440-L442 VanDerWaalsContact C-N 3.32Å; L440-L442 PolarHBondContact O-N 2.71Å; L442-I453 HydrophobicContact CB-CG2 4.33Å; L442-I453 HydrophobicContact CD1-CG2 3.94Å; L442-I453 HydrophobicContact CD2-CG2 4.41Å; L442-I453 HydrophobicContact CG-CG2 4.46Å; L442-M454 CarbonylContact C-O 3.45Å; L442-M454 WeakPolarHBondContact CA-O 3.06Å; L442-R456 PolarHBondContact O-NE 2.99Å; L442-V468 HydrophobicContact CD2-CB 4.2Å; L442-V468 HydrophobicContact CD2-CG1 4.44Å; L442-V468 HydrophobicContact CD2-CG2 4.37Å
443T90.5Very high82.3Confident3 Ų338.7 Ų38.72%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-123.7150.6162.8-176.50000107.7I453 M454 R456 L492 V494T443-I453 WeakPolarHBondContact O-CA 3.26Å; T443-M454 HydrophobicContact CG2-CB 3.84Å; T443-M454 HydrophobicContact CG2-CG 4.45Å; T443-M454 WeakPolarHBondContact CG2-O 3.31Å; T443-M454 PolarHBondContact N-O 3.33Å; T443-M454 PolarHBondContact O-N 3.3Å; T443-R456 HydrophobicContact CG2-CG 4.42Å; T443-L492 WeakPolarHBondContact CG2-O 3.46Å; T443-V494 HydrophobicContact CG2-CB 4.16Å; T443-V494 HydrophobicContact CG2-CG1 3.81Å; T443-V494 PolarHBondContact OG1-N 2.98Å
444C93.3Very high82.8Confident19 Ų1932.9 Ų32.913%0.12818%0.181CC..EExtended strand (participates in β ladder)trans-141.6158.3173.2700000112.3Q385 I451 Y452 I453Q385-C444 HydrophobicContact CB-CB 4.34Å; Q385-C444 WeakPolarHBondContact CB-SG 3.43Å; C444-I451 HydrophobicContact CB-CG2 3.96Å; C444-Y452 CarbonylContact C-O 3.54Å; C444-Y452 WeakPolarHBondContact CA-O 3.16Å; C444-Y452 VanDerWaalsContact CB-O 3.24Å; C444-Y452 WeakPolarHBondContact CB-O 3.33Å; C444-I453 HydrophobicContact CB-CG1 4.11Å
445A94.9Very high83.3Confident9 Ų932.2 Ų32.27%0.07418%0.178CC..EExtended strand (participates in β ladder)trans-144.2143.1172.400000109.4Y452 V494A445-Y452 PolarHBondContact N-O 3.46Å; A445-Y452 PolarHBondContact O-N 3.48Å; A445-V494 HydrophobicContact CB-CG1 3.97Å
446L94.1Very high84.1Confident65 Ų6527.9 Ų27.934%0.3415%0.145SC..EExtended strand (participates in β ladder)trans-76.6129.4166.7-173.272.5000108.5V389 I451 S496V389-L446 HydrophobicContact CG2-CD1 3.74Å; V389-L446 HydrophobicContact CG2-CD2 3.84Å; V389-L446 HydrophobicContact CG2-CG 4.47Å; L446-I451 HydrophobicContact CD1-CG1 4.14Å; L446-S496 WeakPolarHBondContact O-CB 3.19Å
447H93.1Very high84.7Confident5 Ų529.2 Ų29.22%0.02315%0.15CC..EExtended strand (participates in β ladder)trans-147.7129.3176.4-178.675.3000109.9L196 E224 D449 G450 Y452 S496L196-H447 HydrophobicContact CD1-CB 4.16Å; L196-H447 HydrophobicContact CD2-CB 3.63Å; L196-H447 HydrophobicContact CG-CB 3.81Å; L196-H447 VanDerWaalsContact CG-CG 3.49Å; E224-H447 IonicContact OE1-CD2 3.72Å; E224-H447 PolarHBondContact OE1-CD2 3.01Å; E224-H447 IonicContact OE1-NE2 3.96Å; E224-H447 PolarHBondContact OE1-NE2 2.72Å; H447-D449 PolarHBondContact O-N 2.55Å; H447-G450 PolarHBondContact N-O 3.48Å; H447-G450 PolarHBondContact O-N 3.28Å; H447-Y452 HydrophobicContact CB-CD2 3.78Å; H447-Y452 HydrophobicContact CB-CE2 3.9Å; H447-Y452 AromaticContact CD2-CE2 3.91Å; H447-S496 PolarHBondContact ND1-OG 3.2Å
448N88.3Confident85.3Confident88 Ų8823.8 Ų23.847%0.47113%0.127SC..THydrogen-bonded Turntrans50.5-111.8-175.5-60.3-25.6000111.5E224E224-N448 PolarHBondContact OE1-ND2 2.77Å; E224-N448 VanDerWaalsContact OE1-ND2 3.14Å
449D85.4Confident85.6Confident54 Ų5424.6 Ų24.629%0.28913%0.131SC..THydrogen-bonded Turntrans-103.512.3-174.966.5-39.4000113.7H447 K471 N473 I474 F475H447-D449 PolarHBondContact O-N 2.55Å; D449-K471 VanDerWaalsContact CG-NZ 3.27Å; D449-K471 WeakPolarHBondContact OD1-CE 3.23Å; D449-K471 IonicContact OD1-NZ 3.66Å; D449-K471 PolarHBondContact OD1-NZ 2.88Å; D449-K471 IonicContact OD2-NZ 3.56Å; D449-K471 PolarHBondContact OD2-NZ 3.36Å; D449-K471 VanDerWaalsContact OD2-NZ 3.13Å; D449-N473 PolarHBondContact OD2-ND2 3.18Å; D449-I474 PolarHBondContact O-N 2.77Å; D449-F475 HydrophobicContact CB-CD2 4.08Å; D449-F475 HydrophobicContact CB-CE2 3.93Å
450G92.3Very high85.8Confident0 Ų031 Ų310%017%0.165CC..EExtended strand (participates in β ladder)trans-154.2167.5-175.800000116.5H447 Y472H447-G450 PolarHBondContact N-O 3.48Å; H447-G450 PolarHBondContact O-N 3.28Å; G450-Y472 CarbonylContact C-O 3.58Å; G450-Y472 WeakPolarHBondContact CA-O 2.95Å
451I94.1Very high85.5Confident0 Ų034.8 Ų34.80%019%0.194CC..EExtended strand (participates in β ladder)trans-97.5111.9174.3-54172000107.6V387 Y394 V396 C444 L446 I453 K471 Y472 I474V387-I451 HydrophobicContact CG2-CD1 3.58Å; V387-I451 HydrophobicContact CG2-CG1 3.87Å; V387-I451 HydrophobicContact CG2-CG2 4.02Å; Y394-I451 HydrophobicContact CD1-CD1 3.95Å; Y394-I451 HydrophobicContact CD2-CD1 4.32Å; Y394-I451 HydrophobicContact CG-CD1 3.68Å; V396-I451 HydrophobicContact CG2-CG2 4.18Å; C444-I451 HydrophobicContact CB-CG2 3.96Å; L446-I451 HydrophobicContact CD1-CG1 4.14Å; I451-I453 HydrophobicContact CG2-CD1 4.45Å; I451-I453 HydrophobicContact CG2-CG1 4.04Å; I451-K471 WeakPolarHBondContact O-CA 3.32Å; I451-Y472 HydrophobicContact CD1-CD1 4.26Å; I451-Y472 PolarHBondContact N-O 3.46Å; I451-Y472 PolarHBondContact O-N 2.97Å; I451-I474 HydrophobicContact CD1-CG2 3.98Å; I451-I474 HydrophobicContact CG1-CG2 3.93Å
452Y92.5Very high85.1Confident4 Ų432.1 Ų32.12%0.01618%0.181CC..EExtended strand (participates in β ladder)trans-87132.1175.3-74.2-105.6000109.4L196 E224 C444 A445 H447 F469 L470 K471 F482L196-Y452 HydrophobicContact CD1-CD1 3.27Å; L196-Y452 HydrophobicContact CD1-CD2 3.68Å; L196-Y452 HydrophobicContact CD1-CE1 3.3Å; L196-Y452 HydrophobicContact CD1-CE2 3.75Å; L196-Y452 HydrophobicContact CD1-CG 3.43Å; L196-Y452 VanDerWaalsContact CD1-CG 3.43Å; L196-Y452 HydrophobicContact CD2-CD2 4.35Å; L196-Y452 HydrophobicContact CD2-CG 4.16Å; L196-Y452 HydrophobicContact CG-CG 4.43Å; E224-Y452 PolarHBondContact OE1-OH 2.96Å; C444-Y452 CarbonylContact C-O 3.54Å; C444-Y452 WeakPolarHBondContact CA-O 3.16Å; C444-Y452 VanDerWaalsContact CB-O 3.24Å; C444-Y452 WeakPolarHBondContact CB-O 3.33Å; A445-Y452 PolarHBondContact N-O 3.46Å; A445-Y452 PolarHBondContact O-N 3.48Å; H447-Y452 HydrophobicContact CB-CD2 3.78Å; H447-Y452 HydrophobicContact CB-CE2 3.9Å; H447-Y452 AromaticContact CD2-CE2 3.91Å; Y452-F469 HydrophobicContact CD1-CE2 4.03Å; Y452-F469 AromaticContact CD1-CZ 3.98Å; Y452-F469 HydrophobicContact CD1-CZ 3.98Å; Y452-F469 HydrophobicContact CE1-CZ 4.48Å; Y452-L470 CarbonylContact C-O 3.6Å; Y452-L470 WeakPolarHBondContact CA-O 3.34Å; Y452-K471 HydrophobicContact CD1-CB 4.17Å; Y452-K471 HydrophobicContact CD2-CB 4.49Å; Y452-K471 HydrophobicContact CD2-CG 4.29Å; Y452-K471 HydrophobicContact CE1-CB 4.04Å; Y452-K471 HydrophobicContact CE1-CD 4.35Å; Y452-K471 HydrophobicContact CE1-CG 4.44Å; Y452-K471 HydrophobicContact CE2-CB 4.34Å; Y452-K471 HydrophobicContact CE2-CD 3.9Å; Y452-K471 HydrophobicContact CE2-CG 3.91Å; Y452-K471 HydrophobicContact CG-CB 4.43Å; Y452-F482 HydrophobicContact CD1-CE2 4.24Å; Y452-F482 AromaticContact CE1-CE2 3.81Å; Y452-F482 HydrophobicContact CE1-CE2 3.81Å; Y452-F482 AromaticContact CE1-CZ 3.93Å; Y452-F482 HydrophobicContact CE1-CZ 3.93Å
453I90.4Very high84.1Confident0 Ų034.8 Ų34.80%020%0.199CC..EExtended strand (participates in β ladder)trans-128.4126.8-169.6-57.9158.6000107.5V396 L442 T443 C444 I451 V468 F469 L470 W479V396-I453 HydrophobicContact CB-CD1 4.48Å; V396-I453 HydrophobicContact CG1-CD1 3.35Å; V396-I453 HydrophobicContact CG1-CG1 3.76Å; V396-I453 HydrophobicContact CG1-CG2 4.12Å; V396-I453 HydrophobicContact CG2-CD1 4.37Å; L442-I453 HydrophobicContact CB-CG2 4.33Å; L442-I453 HydrophobicContact CD1-CG2 3.94Å; L442-I453 HydrophobicContact CD2-CG2 4.41Å; L442-I453 HydrophobicContact CG-CG2 4.46Å; T443-I453 WeakPolarHBondContact O-CA 3.26Å; C444-I453 HydrophobicContact CB-CG1 4.11Å; I451-I453 HydrophobicContact CG2-CD1 4.45Å; I451-I453 HydrophobicContact CG2-CG1 4.04Å; I453-V468 HydrophobicContact CG2-CG1 4.17Å; I453-F469 VanDerWaalsContact O-CA 3.31Å; I453-F469 WeakPolarHBondContact O-CA 3.38Å; I453-L470 PolarHBondContact N-O 2.82Å; I453-L470 PolarHBondContact O-N 2.93Å; I453-W479 HydrophobicContact CD1-CH2 3.73Å; I453-W479 HydrophobicContact CD1-CZ3 3.53Å
454M88.1Confident83Confident2 Ų241.2 Ų41.21%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-133.2141.3-176.3-177.9-177.3-68.500110.9A198 W229 L442 T443 V468 F469 F485 L492 V494A198-M454 HydrophobicContact CB-CE 4.17Å; A198-M454 HydrophobicContact CB-SD 4.42Å; W229-M454 HydrophobicContact CH2-CE 3.76Å; W229-M454 HydrophobicContact CZ2-CE 3.49Å; W229-M454 VanDerWaalsContact CZ2-CE 3.49Å; L442-M454 CarbonylContact C-O 3.45Å; L442-M454 WeakPolarHBondContact CA-O 3.06Å; T443-M454 HydrophobicContact CG2-CB 3.84Å; T443-M454 HydrophobicContact CG2-CG 4.45Å; T443-M454 WeakPolarHBondContact CG2-O 3.31Å; T443-M454 PolarHBondContact N-O 3.33Å; T443-M454 PolarHBondContact O-N 3.3Å; M454-V468 CarbonylContact C-O 3.07Å; M454-V468 VanDerWaalsContact CA-O 3.28Å; M454-V468 WeakPolarHBondContact CA-O 3.41Å; M454-F469 HydrophobicContact CB-CD2 4.25Å; M454-F469 HydrophobicContact CE-CD2 3.77Å; M454-F469 HydrophobicContact CE-CE2 3.89Å; M454-F485 HydrophobicContact CE-CD2 4.19Å; M454-F485 HydrophobicContact CE-CE2 3.44Å; M454-F485 VanDerWaalsContact CE-CE2 3.44Å; M454-F485 HydrophobicContact CE-CZ 3.99Å; M454-F485 HydrophobicContact SD-CE2 4.04Å; M454-F485 HydrophobicContact SD-CZ 3.95Å; M454-L492 HydrophobicContact SD-CB 4.07Å; M454-L492 HydrophobicContact SD-CD1 4.22Å; M454-V494 HydrophobicContact CB-CB 4.5Å; M454-V494 HydrophobicContact CB-CG1 4.5Å; M454-V494 HydrophobicContact CE-CG2 4.47Å
455S86.5Confident81.6Confident4 Ų445.7 Ų45.73%0.02825%0.252CS..EExtended strand (participates in β ladder)trans-67.8132.1168.4-61.40000111.3H466 V468S455-H466 PolarHBondContact OG-O 3.2Å; S455-V468 PolarHBondContact N-O 2.76Å; S455-V468 WeakPolarHBondContact OG-CB 3.29Å; S455-V468 PolarHBondContact OG-N 3.27Å
456R84.7Confident80.2Confident51 Ų5148.6 Ų48.619%0.19226%0.264CS..SBendtrans-71-31.7178-66.7-173.2178.6-117.2-2.2113.1N441 L442 T443 H490 N491 L492N441-R456 VanDerWaalsContact O-CB 3.28Å; N441-R456 WeakPolarHBondContact O-CB 3.15Å; N441-R456 WeakPolarHBondContact O-CG 3.47Å; N441-R456 PolarHBondContact O-N 3.37Å; L442-R456 PolarHBondContact O-NE 2.99Å; T443-R456 HydrophobicContact CG2-CG 4.42Å; R456-H490 CarbonylContact O-C 3.57Å; R456-N491 PolarHBondContact O-N 2.89Å; R456-L492 WeakPolarHBondContact CG-O 3.46Å; R456-L492 WeakPolarHBondContact O-CG 3.32Å; R456-L492 PolarHBondContact O-N 2.63Å
457D79.2Confident79.3Confident57 Ų5749.5 Ų49.531%0.30526%0.262SS..  trans-127.5115.8-178.1-69.5-62.6000110.4H490 N491D457-H490 WeakPolarHBondContact OD1-CA 3.2Å; D457-H490 IonicContact OD1-CG 3.58Å; D457-H490 IonicContact OD1-ND1 2.81Å; D457-H490 PolarHBondContact OD1-ND1 2.96Å; D457-N491 PolarHBondContact OD1-N 3.12Å
458V76.6Confident78.5Confident5 Ų549.5 Ų49.53%0.0326%0.263CS..BIsolated β-bridgetrans-129.2100.4178.2-179.40000108.1R467 F488 G489 L492V458-R467 HydrophobicContact CG1-CG 3.81Å; V458-F488 HydrophobicContact CG1-CD1 4Å; V458-F488 CarbonylContact O-C 3.45Å; V458-F488 VanDerWaalsContact O-CA 3.23Å; V458-F488 WeakPolarHBondContact O-CA 3.1Å; V458-F488 WeakPolarHBondContact O-CB 3.33Å; V458-G489 PolarHBondContact N-O 3.25Å; V458-G489 PolarHBondContact O-N 2.9Å; V458-L492 HydrophobicContact CG2-CD1 4.46Å
459T73.1Confident78.3Confident33 Ų3345.7 Ų45.720%0.20224%0.242CC..  trans-100.6168.8178.769.40000111.4S461 T462 F488 H490T459-S461 PolarHBondContact O-N 2.78Å; T459-S461 PolarHBondContact OG1-N 3.02Å; T459-S461 PolarHBondContact OG1-OG 2.77Å; T459-T462 PolarHBondContact N-OG1 3.17Å; T459-T462 VanDerWaalsContact O-CB 3.3Å; T459-T462 WeakPolarHBondContact O-CB 3.44Å; T459-T462 PolarHBondContact O-N 3.04Å; T459-T462 PolarHBondContact O-OG1 2.8Å; T459-T462 PolarHBondContact OG1-N 2.93Å; T459-T462 PolarHBondContact OG1-OG1 3.38Å; T459-T462 VanDerWaalsContact OG1-OG1 3.12Å; T459-F488 VanDerWaalsContact O-CD1 3.26Å; T459-F488 WeakPolarHBondContact O-CD1 3.28Å; T459-F488 WeakPolarHBondContact O-CE1 3.48Å; T459-H490 WeakPolarHBondContact CG2-CE1 3.36Å
460L66.8Low78.5Confident135 Ų13543.6 Ų43.671%0.70723%0.231SC*.THydrogen-bonded Turntrans-55.2-32.3172.8-74.6164.7000112.6F488L460-F488 HydrophobicContact CD2-CD2 3.98Å; L460-F488 HydrophobicContact CD2-CE1 4.08Å; L460-F488 HydrophobicContact CD2-CE2 3.53Å; L460-F488 HydrophobicContact CD2-CG 4.45Å; L460-F488 HydrophobicContact CD2-CZ 3.58Å; L460-F488 HydrophobicContact CG-CE1 4.42Å; L460-F488 HydrophobicContact CG-CE2 4.44Å; L460-F488 HydrophobicContact CG-CZ 4.39Å
461S65.9Low78.4Confident110 Ų11044.2 Ų44.277%0.76923%0.234SC*.THydrogen-bonded Turntrans-83.1-11.6177.1600000113.8T459 S463T459-S461 PolarHBondContact O-N 2.78Å; T459-S461 PolarHBondContact OG1-N 3.02Å; T459-S461 PolarHBondContact OG1-OG 2.77Å; S461-S463 PolarHBondContact O-N 2.83Å
462T69.3Low78.3Confident29 Ų2944.3 Ų44.318%0.17823%0.234CC..SBendtrans-67.6114.8174.7-56.10000109.4T459 H466 R467T459-T462 PolarHBondContact N-OG1 3.17Å; T459-T462 VanDerWaalsContact O-CB 3.3Å; T459-T462 WeakPolarHBondContact O-CB 3.44Å; T459-T462 PolarHBondContact O-N 3.04Å; T459-T462 PolarHBondContact O-OG1 2.8Å; T459-T462 PolarHBondContact OG1-N 2.93Å; T459-T462 PolarHBondContact OG1-OG1 3.38Å; T459-T462 VanDerWaalsContact OG1-OG1 3.12Å; T462-H466 HydrophobicContact CG2-CB 3.7Å; T462-R467 HydrophobicContact CG2-CG 3.98Å; T462-R467 PolarHBondContact O-NE 3.35Å; T462-R467 PolarHBondContact O-NH2 3.02Å
463S67.1Low78.3Confident57 Ų5744.8 Ų44.840%0.39924%0.237SC..  trans-58.8151.4175.468.90000111.3S461 E465 H466S461-S463 PolarHBondContact O-N 2.83Å; S463-E465 PolarHBondContact O-N 2.98Å; S463-H466 PolarHBondContact O-N 2.97Å; S463-H466 PolarHBondContact OG-ND1 2.75Å
464L67.4Low78.3Confident138 Ų13846 Ų4672%0.72324%0.243SC*.G310 helixtrans-57.4-34.1-177.7-69.2173.3000112.7H466 R467L464-H466 PolarHBondContact O-N 3.08Å; L464-R467 PolarHBondContact O-N 2.9Å
465E63.3Low78.4Confident113 Ų11353.8 Ų53.853%0.52828%0.277SS..G310 helixtrans-64.4-20.8177.4-60.2-174.3172.400113.5K437 S463K437-E465 IonicContact NZ-OE1 2.67Å; K437-E465 IonicContact NZ-OE2 3.9Å; K437-E465 PolarHBondContact NZ-OE2 3.42Å; S463-E465 PolarHBondContact O-N 2.98Å
466H66.5Low78.6Confident71 Ų7157 Ų5733%0.32930%0.299SS..G310 helixtrans-99.3-2.8179.7-68.171.5000113S455 T462 S463 L464 V468S455-H466 PolarHBondContact OG-O 3.2Å; T462-H466 HydrophobicContact CG2-CB 3.7Å; S463-H466 PolarHBondContact O-N 2.97Å; S463-H466 PolarHBondContact OG-ND1 2.75Å; L464-H466 PolarHBondContact O-N 3.08Å; H466-V468 PolarHBondContact O-N 3.15Å
467R73.8Confident78.8Confident83 Ų8357.5 Ų57.531%0.31331%0.306SS..  trans-88.292.7175.5-56.4-171-166.1-177.77.1109V458 T462 L464V458-R467 HydrophobicContact CG1-CG 3.81Å; T462-R467 HydrophobicContact CG2-CG 3.98Å; T462-R467 PolarHBondContact O-NE 3.35Å; T462-R467 PolarHBondContact O-NH2 3.02Å; L464-R467 PolarHBondContact O-N 2.9Å
468V76.8Confident79.4Confident6 Ų656.2 Ų56.24%0.03630%0.302CS..  trans-90.1117-178.2-175.30000108.4L416 L442 I453 M454 S455 H466 L470L416-V468 HydrophobicContact CD2-CG1 4.13Å; L442-V468 HydrophobicContact CD2-CB 4.2Å; L442-V468 HydrophobicContact CD2-CG1 4.44Å; L442-V468 HydrophobicContact CD2-CG2 4.37Å; I453-V468 HydrophobicContact CG2-CG1 4.17Å; M454-V468 CarbonylContact C-O 3.07Å; M454-V468 VanDerWaalsContact CA-O 3.28Å; M454-V468 WeakPolarHBondContact CA-O 3.41Å; S455-V468 PolarHBondContact N-O 2.76Å; S455-V468 WeakPolarHBondContact OG-CB 3.29Å; S455-V468 PolarHBondContact OG-N 3.27Å; H466-V468 PolarHBondContact O-N 3.15Å; V468-L470 HydrophobicContact CG1-CB 4.34Å; V468-L470 HydrophobicContact CG1-CD1 3.62Å; V468-L470 HydrophobicContact CG1-CG 3.68Å
469F85.6Confident80Confident7 Ų758 Ų583%0.03131%0.308CS..EExtended strand (participates in β ladder)trans-136.899.3156.1-176-129.8000108.2Y222 W229 Y452 I453 M454 F482 F485Y222-F469 HydrophobicContact CD2-CE1 4.34Å; Y222-F469 HydrophobicContact CD2-CZ 4.5Å; Y222-F469 AromaticContact CE2-CE1 3.98Å; Y222-F469 HydrophobicContact CE2-CE1 3.98Å; Y222-F469 HydrophobicContact CE2-CZ 4.46Å; W229-F469 HydrophobicContact CH2-CZ 4.45Å; W229-F469 AromaticContact CZ2-CE1 3.92Å; W229-F469 HydrophobicContact CZ2-CE1 3.92Å; W229-F469 AromaticContact CZ2-CE2 3.83Å; W229-F469 HydrophobicContact CZ2-CE2 3.83Å; W229-F469 AromaticContact CZ2-CZ 3.49Å; W229-F469 HydrophobicContact CZ2-CZ 3.49Å; W229-F469 VanDerWaalsContact CZ2-CZ 3.49Å; W229-F469 AromaticContact NE1-CE1 3.74Å; Y452-F469 HydrophobicContact CD1-CE2 4.03Å; Y452-F469 AromaticContact CD1-CZ 3.98Å; Y452-F469 HydrophobicContact CD1-CZ 3.98Å; Y452-F469 HydrophobicContact CE1-CZ 4.48Å; I453-F469 VanDerWaalsContact O-CA 3.31Å; I453-F469 WeakPolarHBondContact O-CA 3.38Å; M454-F469 HydrophobicContact CB-CD2 4.25Å; M454-F469 HydrophobicContact CE-CD2 3.77Å; M454-F469 HydrophobicContact CE-CE2 3.89Å; F469-F482 HydrophobicContact CD1-CB 3.34Å; F469-F482 HydrophobicContact CD1-CD2 4.12Å; F469-F482 AromaticContact CD1-CG 4Å; F469-F482 HydrophobicContact CD1-CG 4Å; F469-F482 HydrophobicContact CE1-CB 3.6Å; F469-F482 AromaticContact CE1-CD2 3.92Å; F469-F482 HydrophobicContact CE1-CD2 3.92Å; F469-F482 AromaticContact CE1-CG 3.8Å; F469-F482 HydrophobicContact CE1-CG 3.8Å; F469-F482 HydrophobicContact CG-CB 4.28Å; F469-F482 HydrophobicContact CZ-CD2 4.33Å; F469-F482 PolarHBondContact O-N 3.21Å; F469-F482 VanDerWaalsContact O-N 3.08Å; F469-F485 HydrophobicContact CD1-CD2 4.39Å; F469-F485 HydrophobicContact CG-CD2 4.46Å
470L88.3Confident80.7Confident10 Ų1060 Ų605%0.05232%0.315CS..EExtended strand (participates in β ladder)trans-130.4153.4-170.2-58.7175.5000110.2L416 Y452 I453 V468 W479 E480 A481L416-L470 HydrophobicContact CD2-CD1 3.4Å; Y452-L470 CarbonylContact C-O 3.6Å; Y452-L470 WeakPolarHBondContact CA-O 3.34Å; I453-L470 PolarHBondContact N-O 2.82Å; I453-L470 PolarHBondContact O-N 2.93Å; V468-L470 HydrophobicContact CG1-CB 4.34Å; V468-L470 HydrophobicContact CG1-CD1 3.62Å; V468-L470 HydrophobicContact CG1-CG 3.68Å; L470-W479 HydrophobicContact CB-CE3 4.05Å; L470-W479 HydrophobicContact CB-CZ3 4.06Å; L470-W479 HydrophobicContact CD1-CE3 3.98Å; L470-W479 HydrophobicContact CD1-CZ3 3.89Å; L470-E480 CarbonylContact C-O 3.44Å; L470-E480 WeakPolarHBondContact CA-O 3.31Å; L470-A481 HydrophobicContact CD2-CB 3.56Å
471K91.1Very high81.4Confident14 Ų1456.9 Ų56.96%0.06131%0.308CS..EExtended strand (participates in β ladder)trans-113.6130.9162.8171.9-167.9-175.1-1730108.5D449 I451 Y452 E480 F482D449-K471 VanDerWaalsContact CG-NZ 3.27Å; D449-K471 WeakPolarHBondContact OD1-CE 3.23Å; D449-K471 IonicContact OD1-NZ 3.66Å; D449-K471 PolarHBondContact OD1-NZ 2.88Å; D449-K471 IonicContact OD2-NZ 3.56Å; D449-K471 PolarHBondContact OD2-NZ 3.36Å; D449-K471 VanDerWaalsContact OD2-NZ 3.13Å; I451-K471 WeakPolarHBondContact O-CA 3.32Å; Y452-K471 HydrophobicContact CD1-CB 4.17Å; Y452-K471 HydrophobicContact CD2-CB 4.49Å; Y452-K471 HydrophobicContact CD2-CG 4.29Å; Y452-K471 HydrophobicContact CE1-CB 4.04Å; Y452-K471 HydrophobicContact CE1-CD 4.35Å; Y452-K471 HydrophobicContact CE1-CG 4.44Å; Y452-K471 HydrophobicContact CE2-CB 4.34Å; Y452-K471 HydrophobicContact CE2-CD 3.9Å; Y452-K471 HydrophobicContact CE2-CG 3.91Å; Y452-K471 HydrophobicContact CG-CB 4.43Å; K471-E480 HydrophobicContact CB-CB 4.32Å; K471-E480 PolarHBondContact N-O 2.98Å; K471-E480 PolarHBondContact O-N 3.12Å; K471-F482 HydrophobicContact CB-CE2 3.49Å; K471-F482 VanDerWaalsContact CB-CE2 3.49Å; K471-F482 HydrophobicContact CB-CZ 4.02Å; K471-F482 HydrophobicContact CD-CZ 4.4Å
472Y91.9Very high82Confident2 Ų253.1 Ų53.11%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-98.5116.6164.7177.2-101.6000108.5Y394 V418 L431 G450 I451 I474 D477 W479Y394-Y472 HydrophobicContact CD1-CE1 4.46Å; Y394-Y472 HydrophobicContact CE1-CE1 4.34Å; V418-Y472 HydrophobicContact CG1-CD1 4.13Å; V418-Y472 HydrophobicContact CG1-CE1 4.06Å; V418-Y472 HydrophobicContact CG2-CG 4.36Å; L431-Y472 HydrophobicContact CB-CE2 4.47Å; L431-Y472 WeakPolarHBondContact CB-OH 3.36Å; L431-Y472 HydrophobicContact CD1-CE1 3.81Å; L431-Y472 WeakPolarHBondContact CD1-OH 3.38Å; G450-Y472 CarbonylContact C-O 3.58Å; G450-Y472 WeakPolarHBondContact CA-O 2.95Å; I451-Y472 HydrophobicContact CD1-CD1 4.26Å; I451-Y472 PolarHBondContact N-O 3.46Å; I451-Y472 PolarHBondContact O-N 2.97Å; Y472-I474 HydrophobicContact CD1-CG2 4.2Å; Y472-I474 HydrophobicContact CE1-CG2 4.25Å; Y472-D477 WeakPolarHBondContact CE2-OD1 3.28Å; Y472-D477 PolarHBondContact OH-OD1 3.19Å; Y472-W479 AromaticContact CD2-CD2 3.93Å; Y472-W479 HydrophobicContact CD2-CD2 3.93Å; Y472-W479 AromaticContact CD2-CE2 3.6Å; Y472-W479 HydrophobicContact CD2-CE3 4.44Å; Y472-W479 HydrophobicContact CD2-CG 4.41Å; Y472-W479 HydrophobicContact CD2-CH2 4.42Å; Y472-W479 AromaticContact CD2-CZ2 3.88Å; Y472-W479 HydrophobicContact CD2-CZ2 3.88Å; Y472-W479 AromaticContact CD2-NE1 3.82Å; Y472-W479 HydrophobicContact CG-CZ2 4.44Å
473N92.4Very high81.8Confident14 Ų1463.1 Ų63.18%0.07531%0.313CS..EExtended strand (participates in β ladder)trans-81.6117.4176.9-169.5-51.4000109.4D449 F475 S476 D477 S478D449-N473 PolarHBondContact OD2-ND2 3.18Å; N473-F475 VanDerWaalsContact C-N 3.29Å; N473-F475 PolarHBondContact O-N 3.18Å; N473-F475 PolarHBondContact OD1-N 3.24Å; N473-S476 VanDerWaalsContact CB-OG 3.31Å; N473-S476 WeakPolarHBondContact CB-OG 2.98Å; N473-S476 PolarHBondContact OD1-N 3.1Å; N473-S476 PolarHBondContact OD1-OG 2.73Å; N473-D477 PolarHBondContact O-N 3.31Å; N473-S478 PolarHBondContact N-O 2.83Å
474I90.2Very high81.6Confident25 Ų2567.3 Ų67.313%0.12832%0.32CS..THydrogen-bonded Turntrans-72.7-21.4-174.462.1178.3000113.2V389 Y394 D449 I451 Y472V389-I474 HydrophobicContact CG1-CD1 4.12Å; V389-I474 HydrophobicContact CG2-CD1 3.96Å; Y394-I474 HydrophobicContact CE1-CB 4.48Å; Y394-I474 HydrophobicContact CE1-CG2 4.11Å; D449-I474 PolarHBondContact O-N 2.77Å; I451-I474 HydrophobicContact CD1-CG2 3.98Å; I451-I474 HydrophobicContact CG1-CG2 3.93Å; Y472-I474 HydrophobicContact CD1-CG2 4.2Å; Y472-I474 HydrophobicContact CE1-CG2 4.25Å
475F89.1Confident81.5Confident165 Ų16563 Ų6372%0.72430%0.295SS*.THydrogen-bonded Turntrans-90.7-38.4-176.6-60.9-74.7000112.6D449 N473D449-F475 HydrophobicContact CB-CD2 4.08Å; D449-F475 HydrophobicContact CB-CE2 3.93Å; N473-F475 VanDerWaalsContact C-N 3.29Å; N473-F475 PolarHBondContact O-N 3.18Å; N473-F475 PolarHBondContact OD1-N 3.24Å
476S90.9Very high81.2Confident71 Ų7158.8 Ų58.850%0.49728%0.278SS..THydrogen-bonded Turntrans-98.8-0.9-177.656.90000114.4N473 S478N473-S476 VanDerWaalsContact CB-OG 3.31Å; N473-S476 WeakPolarHBondContact CB-OG 2.98Å; N473-S476 PolarHBondContact OD1-N 3.1Å; N473-S476 PolarHBondContact OD1-OG 2.73Å; S476-S478 VanDerWaalsContact C-N 3.3Å; S476-S478 PolarHBondContact O-N 3.18Å; S476-S478 PolarHBondContact OG-OG 3.26Å
477D90.1Very high81Confident62 Ų6256.1 Ų56.133%0.33227%0.268SS..THydrogen-bonded Turntrans48.252.8-174.7-173.730.3000111.7K432 Y472 N473K432-D477 VanDerWaalsContact CB-OD1 3.26Å; K432-D477 WeakPolarHBondContact CB-OD1 3.13Å; K432-D477 WeakPolarHBondContact CD-O 3.39Å; K432-D477 PolarHBondContact N-OD1 3.03Å; Y472-D477 WeakPolarHBondContact CE2-OD1 3.28Å; Y472-D477 PolarHBondContact OH-OD1 3.19Å; N473-D477 PolarHBondContact O-N 3.31Å
478S90.5Very high80.8Confident31 Ų3153 Ų5322%0.21726%0.257CS..EExtended strand (participates in β ladder)trans-136.7151.7-173.865.50000113.2N473 S476N473-S478 PolarHBondContact N-O 2.83Å; S476-S478 VanDerWaalsContact C-N 3.3Å; S476-S478 PolarHBondContact O-N 3.18Å; S476-S478 PolarHBondContact OG-OG 3.26Å
479W88.9Confident80.8Confident42 Ų4252.8 Ų52.816%0.15926%0.255CS..EExtended strand (participates in β ladder)trans-103.7134.6179-69.594.5000111.6L416 V418 K432 N434 I453 L470 Y472L416-W479 HydrophobicContact CD2-CH2 3.77Å; L416-W479 HydrophobicContact CD2-CZ3 3.83Å; L416-W479 HydrophobicContact CG-CH2 3.92Å; L416-W479 HydrophobicContact CG-CZ3 4.48Å; V418-W479 HydrophobicContact CB-CZ2 4.21Å; V418-W479 HydrophobicContact CG2-CH2 3.35Å; V418-W479 HydrophobicContact CG2-CZ2 3.31Å; K432-W479 PolarHBondContact O-NE1 2.81Å; N434-W479 HydrophobicContact CB-CD2 3.95Å; N434-W479 HydrophobicContact CB-CE3 4.35Å; N434-W479 HydrophobicContact CB-CG 4.35Å; N434-W479 HydrophobicContact CB-CH2 4.24Å; N434-W479 HydrophobicContact CB-CZ2 3.85Å; N434-W479 HydrophobicContact CB-CZ3 4.47Å; N434-W479 VanDerWaalsContact ND2-CE3 3.34Å; I453-W479 HydrophobicContact CD1-CH2 3.73Å; I453-W479 HydrophobicContact CD1-CZ3 3.53Å; L470-W479 HydrophobicContact CB-CE3 4.05Å; L470-W479 HydrophobicContact CB-CZ3 4.06Å; L470-W479 HydrophobicContact CD1-CE3 3.98Å; L470-W479 HydrophobicContact CD1-CZ3 3.89Å; Y472-W479 AromaticContact CD2-CD2 3.93Å; Y472-W479 HydrophobicContact CD2-CD2 3.93Å; Y472-W479 AromaticContact CD2-CE2 3.6Å; Y472-W479 HydrophobicContact CD2-CE3 4.44Å; Y472-W479 HydrophobicContact CD2-CG 4.41Å; Y472-W479 HydrophobicContact CD2-CH2 4.42Å; Y472-W479 AromaticContact CD2-CZ2 3.88Å; Y472-W479 HydrophobicContact CD2-CZ2 3.88Å; Y472-W479 AromaticContact CD2-NE1 3.82Å; Y472-W479 HydrophobicContact CG-CZ2 4.44Å
480E88.5Confident80.6Confident75 Ų7554.6 Ų54.635%0.3526%0.264SS..EExtended strand (participates in β ladder)trans-117.6132.2171.6-68.6169.7-146.600108.9L470 K471 F482L470-E480 CarbonylContact C-O 3.44Å; L470-E480 WeakPolarHBondContact CA-O 3.31Å; K471-E480 HydrophobicContact CB-CB 4.32Å; K471-E480 PolarHBondContact N-O 2.98Å; K471-E480 PolarHBondContact O-N 3.12Å; E480-F482 HydrophobicContact CB-CE2 4.46Å; E480-F482 HydrophobicContact CB-CZ 4.42Å
481A82.3Confident80.2Confident69 Ų6954.9 Ų54.957%0.5727%0.266SS*.EExtended strand (participates in β ladder)trans-111.4123.6-17700000111.3L470L470-A481 HydrophobicContact CD2-CB 3.56Å
482F78.2Confident80Confident31 Ų3154.2 Ų54.214%0.13626%0.263CS..  trans-100.8105-180-59.4-81.3000109.7Y222 Y452 F469 K471 E480 R484Y222-F482 WeakPolarHBondContact OH-CD1 3.23Å; Y222-F482 WeakPolarHBondContact OH-CE1 3.39Å; Y452-F482 HydrophobicContact CD1-CE2 4.24Å; Y452-F482 AromaticContact CE1-CE2 3.81Å; Y452-F482 HydrophobicContact CE1-CE2 3.81Å; Y452-F482 AromaticContact CE1-CZ 3.93Å; Y452-F482 HydrophobicContact CE1-CZ 3.93Å; F469-F482 HydrophobicContact CD1-CB 3.34Å; F469-F482 HydrophobicContact CD1-CD2 4.12Å; F469-F482 AromaticContact CD1-CG 4Å; F469-F482 HydrophobicContact CD1-CG 4Å; F469-F482 HydrophobicContact CE1-CB 3.6Å; F469-F482 AromaticContact CE1-CD2 3.92Å; F469-F482 HydrophobicContact CE1-CD2 3.92Å; F469-F482 AromaticContact CE1-CG 3.8Å; F469-F482 HydrophobicContact CE1-CG 3.8Å; F469-F482 HydrophobicContact CG-CB 4.28Å; F469-F482 HydrophobicContact CZ-CD2 4.33Å; F469-F482 PolarHBondContact O-N 3.21Å; F469-F482 VanDerWaalsContact O-N 3.08Å; K471-F482 HydrophobicContact CB-CE2 3.49Å; K471-F482 VanDerWaalsContact CB-CE2 3.49Å; K471-F482 HydrophobicContact CB-CZ 4.02Å; K471-F482 HydrophobicContact CD-CZ 4.4Å; E480-F482 HydrophobicContact CB-CE2 4.46Å; E480-F482 HydrophobicContact CB-CZ 4.42Å; F482-R484 VanDerWaalsContact C-N 3.29Å; F482-R484 PolarHBondContact O-N 3.43Å
483R64.4Low80Confident240 Ų24054.3 Ų54.391%0.90626%0.263SS*.  trans-79.7-8.5-174.6-62.7-171.7-178.9-166.40.6114.2
484R64.4Low80Confident145 Ų14553.8 Ų53.855%0.54726%0.261SS..  trans-105.454.9-172-66.7-177.8176170.52.6112.3F482 P486F482-R484 VanDerWaalsContact C-N 3.29Å; F482-R484 PolarHBondContact O-N 3.43Å; R484-P486 WeakPolarHBondContact O-CD 3.35Å
485F65.3Low80.3Confident46 Ų4653.1 Ų53.120%0.20226%0.258CS..  trans-86.2114.4166.7-165-108.6000109.8F202 W229 M454 F469 A487 L492F202-F485 HydrophobicContact CE1-CZ 4.26Å; W229-F485 AromaticContact CD1-CD2 3.88Å; W229-F485 HydrophobicContact CD2-CE2 4.32Å; W229-F485 AromaticContact CE2-CD2 3.88Å; W229-F485 AromaticContact CE2-CE2 3.76Å; W229-F485 HydrophobicContact CZ2-CD2 4.35Å; W229-F485 HydrophobicContact CZ2-CE2 4.04Å; W229-F485 AromaticContact NE1-CD2 3.38Å; W229-F485 AromaticContact NE1-CE2 3.76Å; M454-F485 HydrophobicContact CE-CD2 4.19Å; M454-F485 HydrophobicContact CE-CE2 3.44Å; M454-F485 VanDerWaalsContact CE-CE2 3.44Å; M454-F485 HydrophobicContact CE-CZ 3.99Å; M454-F485 HydrophobicContact SD-CE2 4.04Å; M454-F485 HydrophobicContact SD-CZ 3.95Å; F469-F485 HydrophobicContact CD1-CD2 4.39Å; F469-F485 HydrophobicContact CG-CD2 4.46Å; F485-A487 WeakPolarHBondContact CD1-O 3.34Å; F485-A487 HydrophobicContact CE1-CB 4.11Å; F485-A487 WeakPolarHBondContact CE1-O 3.4Å; F485-A487 HydrophobicContact CZ-CB 4.44Å; F485-L492 HydrophobicContact CE1-CD1 3.94Å; F485-L492 HydrophobicContact CZ-CD1 3.97Å
486P56.7Low80.6Confident26 Ų2646.5 Ų46.517%0.16923%0.233CC..  trans-86.8-2.1-170.730.7-30.9000114.8W229 R484W229-P486 HydrophobicContact CB-CG 3.8Å; W229-P486 VanDerWaalsContact CD1-CD 3.43Å; W229-P486 HydrophobicContact CG-CG 4.32Å; R484-P486 WeakPolarHBondContact O-CD 3.35Å
487A61Low80.8Confident15 Ų1543.1 Ų43.112%0.12421%0.209CC..  trans-122.3134.6-170.400000113.6F202 L220 F485F202-A487 HydrophobicContact CB-CB 4.39Å; F202-A487 HydrophobicContact CD1-CB 3.45Å; F202-A487 VanDerWaalsContact CD1-CB 3.45Å; F202-A487 HydrophobicContact CE1-CB 4.13Å; F202-A487 HydrophobicContact CG-CB 4.29Å; L220-A487 HydrophobicContact CD1-CB 4.4Å; F485-A487 WeakPolarHBondContact CD1-O 3.34Å; F485-A487 HydrophobicContact CE1-CB 4.11Å; F485-A487 WeakPolarHBondContact CE1-O 3.4Å; F485-A487 HydrophobicContact CZ-CB 4.44Å
488F70.3Confident81.1Confident18 Ų1843.6 Ų43.68%0.07921%0.207CC..EExtended strand (participates in β ladder)trans-77.1149.5152.9-65.3-78.1000107.2F202 L203 V458 T459 L460F202-F488 CarbonylContact C-O 3.59Å; F202-F488 WeakPolarHBondContact CA-O 3.15Å; L203-F488 HydrophobicContact CB-CB 3.96Å; L203-F488 HydrophobicContact CD1-CB 4.28Å; L203-F488 PolarHBondContact N-O 3.42Å; V458-F488 HydrophobicContact CG1-CD1 4Å; V458-F488 CarbonylContact O-C 3.45Å; V458-F488 VanDerWaalsContact O-CA 3.23Å; V458-F488 WeakPolarHBondContact O-CA 3.1Å; V458-F488 WeakPolarHBondContact O-CB 3.33Å; T459-F488 VanDerWaalsContact O-CD1 3.26Å; T459-F488 WeakPolarHBondContact O-CD1 3.28Å; T459-F488 WeakPolarHBondContact O-CE1 3.48Å; L460-F488 HydrophobicContact CD2-CD2 3.98Å; L460-F488 HydrophobicContact CD2-CE1 4.08Å; L460-F488 HydrophobicContact CD2-CE2 3.53Å; L460-F488 HydrophobicContact CD2-CG 4.45Å; L460-F488 HydrophobicContact CD2-CZ 3.58Å; L460-F488 HydrophobicContact CG-CE1 4.42Å; L460-F488 HydrophobicContact CG-CE2 4.44Å; L460-F488 HydrophobicContact CG-CZ 4.39Å
489G76.9Confident81.2Confident0 Ų043 Ų430%020%0.201CC..EExtended strand (participates in β ladder)trans-177.3165.5176.600000113.7D201 V458D201-G489 CarbonylContact O-C 3.55Å; D201-G489 WeakPolarHBondContact O-CA 3.27Å; V458-G489 PolarHBondContact N-O 3.25Å; V458-G489 PolarHBondContact O-N 2.9Å
490H80.2Confident81.2Confident46 Ų4644.3 Ų44.321%0.21322%0.215CC..EExtended strand (participates in β ladder)trans-115.5154176.8-69.2-73000110.6D201 R456 D457 T459 L492D201-H490 HydrophobicContact CB-CB 4.26Å; D201-H490 PolarHBondContact N-O 3.47Å; D201-H490 PolarHBondContact O-N 2.65Å; R456-H490 CarbonylContact O-C 3.57Å; D457-H490 WeakPolarHBondContact OD1-CA 3.2Å; D457-H490 IonicContact OD1-CG 3.58Å; D457-H490 IonicContact OD1-ND1 2.81Å; D457-H490 PolarHBondContact OD1-ND1 2.96Å; T459-H490 WeakPolarHBondContact CG2-CE1 3.36Å; H490-L492 PolarHBondContact O-N 3.39Å; H490-L492 VanDerWaalsContact O-N 3.17Å
491N81.1Confident80.9Confident16 Ų1644.7 Ų44.79%0.08622%0.219CC..EExtended strand (participates in β ladder)trans53.535.2176.9-52.7-58000113.8D201 R244 Y246 R456 D457 L493D201-N491 PolarHBondContact OD2-ND2 3.48Å; R244-N491 WeakPolarHBondContact CB-OD1 3.47Å; R244-N491 WeakPolarHBondContact CD-OD1 3.47Å; R244-N491 WeakPolarHBondContact CG-ND2 3.41Å; R244-N491 WeakPolarHBondContact CG-OD1 3.5Å; R244-N491 PolarHBondContact NE-ND2 3.47Å; R244-N491 PolarHBondContact NE-OD1 2.97Å; Y246-N491 HydrophobicContact CE1-CB 4.46Å; Y246-N491 PolarHBondContact OH-O 3.27Å; R456-N491 PolarHBondContact O-N 2.89Å; D457-N491 PolarHBondContact OD1-N 3.12Å; N491-L493 PolarHBondContact O-N 3.37Å
492L87.1Confident79.9Confident0 Ų049.8 Ų49.80%023%0.228CC..EExtended strand (participates in β ladder)trans-64.9131.4-178.4-56.5-178.8000110.2L199 F202 T443 M454 R456 V458 F485 H490L199-L492 CarbonylContact O-C 3.56Å; L199-L492 WeakPolarHBondContact O-CA 3.23Å; F202-L492 HydrophobicContact CD1-CD2 3.74Å; F202-L492 HydrophobicContact CE1-CD2 3.41Å; F202-L492 VanDerWaalsContact CE1-CD2 3.41Å; F202-L492 HydrophobicContact CZ-CD2 3.94Å; T443-L492 WeakPolarHBondContact CG2-O 3.46Å; M454-L492 HydrophobicContact SD-CB 4.07Å; M454-L492 HydrophobicContact SD-CD1 4.22Å; R456-L492 WeakPolarHBondContact CG-O 3.46Å; R456-L492 WeakPolarHBondContact O-CG 3.32Å; R456-L492 PolarHBondContact O-N 2.63Å; V458-L492 HydrophobicContact CG2-CD1 4.46Å; F485-L492 HydrophobicContact CE1-CD1 3.94Å; F485-L492 HydrophobicContact CZ-CD1 3.97Å; H490-L492 PolarHBondContact O-N 3.39Å; H490-L492 VanDerWaalsContact O-N 3.17Å
493L91.1Very high78.2Confident4 Ų452.6 Ų52.62%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-117140.4173.617874.7000107.8A198 L199 Y246 S248 L255 I257 N491A198-L493 CarbonylContact C-O 3.58Å; A198-L493 WeakPolarHBondContact CA-O 3.45Å; L199-L493 HydrophobicContact CB-CB 4.4Å; L199-L493 PolarHBondContact N-O 3.23Å; L199-L493 PolarHBondContact O-N 3.15Å; Y246-L493 HydrophobicContact CE2-CD2 4.45Å; S248-L493 WeakPolarHBondContact OG-CD1 3.47Å; L255-L493 HydrophobicContact CD1-CD2 4.07Å; I257-L493 HydrophobicContact CD1-CD2 3.75Å; N491-L493 PolarHBondContact O-N 3.37Å
494V93.1Very high76.8Confident3 Ų349.3 Ų49.32%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-116.5140.6168.972.60000109.4L196 V197 T443 A445 M454L196-V494 HydrophobicContact CD2-CG2 3.88Å; V197-V494 CarbonylContact O-C 3.49Å; V197-V494 WeakPolarHBondContact O-CA 3.32Å; T443-V494 HydrophobicContact CG2-CB 4.16Å; T443-V494 HydrophobicContact CG2-CG1 3.81Å; T443-V494 PolarHBondContact OG1-N 2.98Å; A445-V494 HydrophobicContact CB-CG1 3.97Å; M454-V494 HydrophobicContact CB-CB 4.5Å; M454-V494 HydrophobicContact CB-CG1 4.5Å; M454-V494 HydrophobicContact CE-CG2 4.47Å
495S95.3Very high75.2Confident11 Ų1151.9 Ų51.98%0.07728%0.284CS..EExtended strand (participates in β ladder)trans-149.9158.9179.2-67.40000110.4V197V197-S495 PolarHBondContact N-O 2.96Å; V197-S495 PolarHBondContact O-N 3.46Å
496S95.4Very high75.7Confident26 Ų2652.2 Ų52.218%0.18229%0.288CS..EExtended strand (participates in β ladder)trans-105.9126.4173.9-1760000109.1L446 H447L446-S496 WeakPolarHBondContact O-CB 3.19Å; H447-S496 PolarHBondContact ND1-OG 3.2Å
497L96.2Very high76.7Confident0 Ų053.5 Ų53.50%030%0.295CS..EExtended strand (participates in β ladder)trans-131.5151.3179.6-72.4174.2000110.1P194 V195 V197 I250 L255 Y274P194-L497 CarbonylContact C-O 3.58Å; P194-L497 WeakPolarHBondContact CA-O 3.48Å; V195-L497 PolarHBondContact N-O 2.77Å; V195-L497 PolarHBondContact O-N 2.97Å; V197-L497 HydrophobicContact CB-CD1 4.26Å; V197-L497 HydrophobicContact CG1-CD1 4.46Å; V197-L497 HydrophobicContact CG2-CB 4.25Å; V197-L497 HydrophobicContact CG2-CD1 4.06Å; I250-L497 HydrophobicContact CD1-CD2 3.59Å; I250-L497 HydrophobicContact CD1-CG 4.28Å; I250-L497 HydrophobicContact CG1-CD2 4.4Å; I250-L497 HydrophobicContact CG2-CD2 4.31Å; L255-L497 HydrophobicContact CB-CD1 4.26Å; L255-L497 HydrophobicContact CB-CD2 4.35Å; Y274-L497 HydrophobicContact CD1-CD1 4.11Å; Y274-L497 HydrophobicContact CE1-CD1 4.13Å
498Y95.5Very high77.5Confident72 Ų7255.7 Ų55.728%0.28230%0.304SS..EExtended strand (participates in β ladder)trans-92.9110.7170.6-68.2-103.8000108.7M190 G192 T193 P194 N253M190-Y498 HydrophobicContact CE-CD2 3.55Å; M190-Y498 HydrophobicContact CE-CE2 3.21Å; M190-Y498 WeakPolarHBondContact O-CD1 3.43Å; M190-Y498 VanDerWaalsContact O-CE1 3.24Å; M190-Y498 WeakPolarHBondContact O-CE1 3.39Å; M190-Y498 HydrophobicContact SD-CD2 3.98Å; M190-Y498 HydrophobicContact SD-CE2 4.22Å; G192-Y498 WeakPolarHBondContact O-CD1 3.2Å; T193-Y498 WeakPolarHBondContact O-CA 3.3Å; P194-Y498 HydrophobicContact CB-CD1 4.15Å; P194-Y498 HydrophobicContact CB-CE1 3.87Å; P194-Y498 HydrophobicContact CG-CE1 4.28Å; N253-Y498 PolarHBondContact ND2-O 3.21Å; N253-Y498 PolarHBondContact OD1-N 3.24Å
499L93.7Very high78Confident19 Ų1957.9 Ų57.910%0.09932%0.317CS..EExtended strand (participates in β ladder)trans-87.3146.8176.5-60-173.6000110.3G192 T193 V195 L232 P276G192-L499 CarbonylContact C-O 3.54Å; G192-L499 VanDerWaalsContact CA-O 3.24Å; G192-L499 WeakPolarHBondContact CA-O 3.26Å; T193-L499 PolarHBondContact N-O 3.04Å; T193-L499 PolarHBondContact O-N 2.97Å; V195-L499 HydrophobicContact CB-CD1 3.92Å; V195-L499 HydrophobicContact CB-CG 4.03Å; V195-L499 HydrophobicContact CG1-CD1 3.91Å; V195-L499 HydrophobicContact CG2-CB 4.45Å; V195-L499 HydrophobicContact CG2-CD1 3.96Å; V195-L499 HydrophobicContact CG2-CG 4.13Å; L232-L499 HydrophobicContact CD1-CD1 3.99Å; L232-L499 HydrophobicContact CD1-CD2 4.4Å; P276-L499 HydrophobicContact CB-CD2 3.64Å
500P89.1Confident78Confident69 Ų6961.5 Ų61.545%0.44834%0.337SS..PPolyproline II helixtrans-54.6140.9172.6-23.833.3000111.5P276 K502P276-P500 VanDerWaalsContact O-CD 3.28Å; P276-P500 WeakPolarHBondContact O-CD 3.26Å; P500-K502 PolarHBondContact O-N 3.2Å
501N81.7Confident77.9Confident83 Ų8362.5 Ų62.544%0.44435%0.345SS..PPolyproline II helixtrans-66.8130.8174.2-64.9-28.6000108.3T193 A503T193-N501 PolarHBondContact N-OD1 3.19Å; T193-N501 PolarHBondContact OG1-OD1 2.81Å; N501-A503 PolarHBondContact O-N 2.96Å
502K61.7Low77.7Confident175 Ų17565.9 Ų65.976%0.76136%0.364SS*.THydrogen-bonded Turntrans-61.69.7-175.7-74.2-175.9175.8179.10115.5P500P500-K502 PolarHBondContact O-N 3.2Å
503A42.4Very low76.9Confident90 Ų9070.9 Ų70.974%0.74439%0.392SS*.THydrogen-bonded Turntrans-101.41-175.200000114.3N501N501-A503 PolarHBondContact O-N 2.96Å
504E35.6Very low75.8Confident171 Ų17176.5 Ų76.580%0.79942%0.423SS*.  trans-129.648.1-176.5-64.4-171.4175.500113.6
505T29.5Very low74.2Confident199 Ų19983.2 Ų83.2100%1.22146%0.46SS*.  trans-122.20156.855.60000107.8

Retrieved 505 of 505 residues in 1167.2 ms (Link to these results)

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