A0A077ZK29_TRITR Loading...

SPOUT MTase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZK29, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 144 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
1M84.7Confident94.2Very high95 Ų9574.4 Ų74.447%0.46839%0.387SS..  0140.80-166.654.981.800107.6V5 P119M1-V5 HydrophobicContact CG-CB 4.08Å; M1-V5 HydrophobicContact CG-CG1 4.14Å; M1-V5 HydrophobicContact SD-CB 4.42Å; M1-V5 HydrophobicContact SD-CG1 4.19Å; M1-P119 HydrophobicContact CE-CB 4.05Å; M1-P119 HydrophobicContact CE-CG 3.87Å; M1-P119 HydrophobicContact SD-CB 3.35Å; M1-P119 WeakPolarHBondContact SD-CB 3.31Å; M1-P119 HydrophobicContact SD-CG 3.4Å; M1-P119 WeakPolarHBondContact SD-CG 3.14Å
2P89.8Confident94.4Very high66 Ų6672.4 Ų72.443%0.42937%0.371SS..  trans-64.5139.9172.9-18.731.8000111.4W4 V5 Q6P2-W4 VanDerWaalsContact C-N 3.33Å; P2-W4 PolarHBondContact O-N 3.33Å; P2-V5 HydrophobicContact CB-CG2 4.16Å; P2-V5 HydrophobicContact CG-CG2 4.24Å; P2-V5 WeakPolarHBondContact O-CB 3.41Å; P2-V5 PolarHBondContact O-N 3.32Å; P2-Q6 PolarHBondContact O-N 3.24Å
3D94.3Very high94.6Very high125 Ų12570.7 Ų70.767%0.66836%0.363SS*.Hα-helixtrans-56.4-43-173-64.1-11.4000113.1V5 Q6 T7D3-V5 PolarHBondContact O-N 2.96Å; D3-Q6 WeakPolarHBondContact O-CB 3.43Å; D3-Q6 PolarHBondContact O-N 3.1Å; D3-T7 PolarHBondContact O-N 3.02Å; D3-T7 PolarHBondContact O-OG1 3.04Å; D3-T7 VanDerWaalsContact O-OG1 3.14Å
4W94.9Very high94.7Very high159 Ų15978.2 Ų78.260%0.60238%0.384SS*.Hα-helixtrans-60.7-30.7-179.472-96.7000113.1P2 G8 L120P2-W4 VanDerWaalsContact C-N 3.33Å; P2-W4 PolarHBondContact O-N 3.33Å; W4-G8 PolarHBondContact O-N 3.07Å; W4-L120 HydrophobicContact CH2-CD1 4.29Å
5V94.3Very high94.8Very high2 Ų278.7 Ų78.71%0.01238%0.38CS..Hα-helixtrans-68.5-45.7176.4179.40000109.3M1 P2 D3 G8 F9 P119 V123M1-V5 HydrophobicContact CG-CB 4.08Å; M1-V5 HydrophobicContact CG-CG1 4.14Å; M1-V5 HydrophobicContact SD-CB 4.42Å; M1-V5 HydrophobicContact SD-CG1 4.19Å; P2-V5 HydrophobicContact CB-CG2 4.16Å; P2-V5 HydrophobicContact CG-CG2 4.24Å; P2-V5 WeakPolarHBondContact O-CB 3.41Å; P2-V5 PolarHBondContact O-N 3.32Å; D3-V5 PolarHBondContact O-N 2.96Å; V5-G8 PolarHBondContact O-N 2.77Å; V5-F9 VanDerWaalsContact O-CB 3.31Å; V5-F9 WeakPolarHBondContact O-CB 3.35Å; V5-F9 PolarHBondContact O-N 3.43Å; V5-P119 HydrophobicContact CB-CB 4.38Å; V5-P119 HydrophobicContact CG1-CB 3.76Å; V5-P119 WeakPolarHBondContact CG1-O 3.31Å; V5-P119 HydrophobicContact CG2-CB 3.9Å; V5-V123 HydrophobicContact CG1-CG2 3.92Å
6Q95Very high94.9Very high119 Ų11975.3 Ų75.356%0.55636%0.363SS*.Hα-helixtrans-62.7-47.4178.7-174.4171.87.800110.3P2 D3 G8 F9 T10P2-Q6 PolarHBondContact O-N 3.24Å; D3-Q6 WeakPolarHBondContact O-CB 3.43Å; D3-Q6 PolarHBondContact O-N 3.1Å; Q6-G8 PolarHBondContact O-N 2.83Å; Q6-F9 PolarHBondContact O-N 3.32Å; Q6-T10 WeakPolarHBondContact O-CB 3.42Å; Q6-T10 PolarHBondContact O-N 2.7Å; Q6-T10 PolarHBondContact O-OG1 3.18Å; Q6-T10 VanDerWaalsContact O-OG1 3.04Å
7T96.7Very high94.9Very high96 Ų9672.5 Ų72.559%0.58935%0.353SS*.Hα-helixtrans-58.4-49175.6-54.50000111.8D3 F9 T10 E11D3-T7 PolarHBondContact O-N 3.02Å; D3-T7 PolarHBondContact O-OG1 3.04Å; D3-T7 VanDerWaalsContact O-OG1 3.14Å; T7-F9 PolarHBondContact O-N 3.21Å; T7-T10 PolarHBondContact O-N 2.84Å; T7-E11 WeakPolarHBondContact O-CB 3.5Å; T7-E11 PolarHBondContact O-N 3.44Å
8G96Very high94.8Very high19 Ų1980.1 Ų80.120%0.19638%0.384CS..Hα-helixtrans-63.3-39.818000000113W4 V5 Q6 Y12W4-G8 PolarHBondContact O-N 3.07Å; V5-G8 PolarHBondContact O-N 2.77Å; Q6-G8 PolarHBondContact O-N 2.83Å; G8-Y12 WeakPolarHBondContact O-CD2 3.34Å
9F97Very high94.6Very high14 Ų1481.4 Ų81.46%0.06139%0.393CS..Hα-helixtrans-65.7-48.8175177.1-105.1000111.6V5 Q6 T7 E11 Y12 L13 F22 L24 R122 V123 A126V5-F9 VanDerWaalsContact O-CB 3.31Å; V5-F9 WeakPolarHBondContact O-CB 3.35Å; V5-F9 PolarHBondContact O-N 3.43Å; Q6-F9 PolarHBondContact O-N 3.32Å; T7-F9 PolarHBondContact O-N 3.21Å; F9-E11 VanDerWaalsContact C-N 3.25Å; F9-E11 PolarHBondContact O-N 2.72Å; F9-Y12 PolarHBondContact O-N 3.11Å; F9-L13 HydrophobicContact CD1-CD2 4.47Å; F9-L13 HydrophobicContact CE1-CB 4.37Å; F9-L13 HydrophobicContact CE1-CD1 4.32Å; F9-L13 HydrophobicContact CE1-CD2 3.84Å; F9-L13 HydrophobicContact CE1-CG 4.42Å; F9-L13 HydrophobicContact CZ-CD1 4.13Å; F9-L13 HydrophobicContact CZ-CD2 4.47Å; F9-L13 WeakPolarHBondContact O-CB 3.34Å; F9-L13 PolarHBondContact O-N 2.73Å; F9-F22 AromaticContact CE2-CE1 3.61Å; F9-F22 HydrophobicContact CE2-CE1 3.61Å; F9-F22 HydrophobicContact CE2-CZ 4.16Å; F9-F22 AromaticContact CZ-CE1 3.84Å; F9-F22 HydrophobicContact CZ-CE1 3.84Å; F9-F22 HydrophobicContact CZ-CZ 4.48Å; F9-L24 HydrophobicContact CD1-CD2 4.28Å; F9-L24 HydrophobicContact CE1-CB 3.75Å; F9-L24 HydrophobicContact CE1-CD2 3.83Å; F9-L24 HydrophobicContact CE1-CG 4.41Å; F9-L24 HydrophobicContact CZ-CB 3.64Å; F9-L24 HydrophobicContact CZ-CD2 4.15Å; F9-L24 HydrophobicContact CZ-CG 4.39Å; F9-R122 HydrophobicContact CD2-CB 3.94Å; F9-R122 WeakPolarHBondContact CD2-O 3.33Å; F9-R122 HydrophobicContact CE2-CB 4.36Å; F9-V123 HydrophobicContact CB-CG2 4.26Å; F9-A126 HydrophobicContact CD2-CB 3.83Å; F9-A126 HydrophobicContact CE2-CB 3.88Å
10T96.6Very high94.5Very high68 Ų6878.5 Ų78.542%0.41738%0.379SS..Hα-helixtrans-62.1-33.4179.5-62.80000112.3Q6 T7 Y12 L13 R14Q6-T10 WeakPolarHBondContact O-CB 3.42Å; Q6-T10 PolarHBondContact O-N 2.7Å; Q6-T10 PolarHBondContact O-OG1 3.18Å; Q6-T10 VanDerWaalsContact O-OG1 3.04Å; T7-T10 PolarHBondContact O-N 2.84Å; T10-Y12 VanDerWaalsContact C-N 3.3Å; T10-Y12 PolarHBondContact O-N 3.15Å; T10-L13 PolarHBondContact O-N 3.15Å; T10-R14 WeakPolarHBondContact O-CG 3.48Å; T10-R14 PolarHBondContact O-N 2.76Å; T10-R14 VanDerWaalsContact O-N 3.13Å
11E96.9Very high94.6Very high55 Ų5580 Ų8026%0.25740%0.395SS..Hα-helixtrans-59.1-39.2176.3-179.655-142.300112.7T7 F9 R14 R15T7-E11 WeakPolarHBondContact O-CB 3.5Å; T7-E11 PolarHBondContact O-N 3.44Å; F9-E11 VanDerWaalsContact C-N 3.25Å; F9-E11 PolarHBondContact O-N 2.72Å; E11-R14 WeakPolarHBondContact O-CG 3.46Å; E11-R14 IonicContact OE1-CZ 2.7Å; E11-R14 IonicContact OE1-NE 3.44Å; E11-R14 PolarHBondContact OE1-NE 2.97Å; E11-R14 IonicContact OE1-NH2 3.94Å; E11-R14 PolarHBondContact OE1-NH2 3.3Å; E11-R14 IonicContact OE2-CZ 3.53Å; E11-R14 IonicContact OE2-NE 3.47Å; E11-R14 PolarHBondContact OE2-NE 3.14Å; E11-R14 VanDerWaalsContact OE2-NE 3.15Å; E11-R14 IonicContact OE2-NH1 3.43Å; E11-R14 IonicContact OE2-NH2 2.83Å; E11-R14 PolarHBondContact OE2-NH2 3.2Å; E11-R15 WeakPolarHBondContact O-CG 3.42Å; E11-R15 PolarHBondContact O-NE 3.1Å; E11-R15 IonicContact OE1-CZ 3.25Å; E11-R15 IonicContact OE1-NE 3Å; E11-R15 PolarHBondContact OE1-NE 3.13Å; E11-R15 IonicContact OE1-NH2 2.77Å; E11-R15 PolarHBondContact OE1-NH2 2.63Å
12Y96.8Very high95.2Very high51 Ų5177.8 Ų77.820%0.238%0.383CS..Hα-helixtrans-83.9-40.1175.3-66.2-63.1000112.2G8 F9 T10 R14 R15 F16 V123 E127 Y141G8-Y12 WeakPolarHBondContact O-CD2 3.34Å; F9-Y12 PolarHBondContact O-N 3.11Å; T10-Y12 VanDerWaalsContact C-N 3.3Å; T10-Y12 PolarHBondContact O-N 3.15Å; Y12-R14 VanDerWaalsContact C-N 3.25Å; Y12-R14 PolarHBondContact O-N 3.29Å; Y12-R15 WeakPolarHBondContact O-CB 3.39Å; Y12-R15 PolarHBondContact O-N 2.65Å; Y12-F16 VanDerWaalsContact O-CD2 3.29Å; Y12-F16 WeakPolarHBondContact O-CD2 3.39Å; Y12-V123 HydrophobicContact CD2-CG1 4.35Å; Y12-V123 HydrophobicContact CE2-CG1 4.17Å; Y12-E127 HydrophobicContact CD1-CB 4.19Å; Y12-E127 HydrophobicContact CD1-CG 4.07Å; Y12-E127 HydrophobicContact CD2-CB 3.88Å; Y12-E127 HydrophobicContact CD2-CG 4.35Å; Y12-E127 HydrophobicContact CE1-CB 4.04Å; Y12-E127 HydrophobicContact CE1-CG 3.49Å; Y12-E127 VanDerWaalsContact CE1-CG 3.49Å; Y12-E127 HydrophobicContact CE2-CB 3.68Å; Y12-E127 HydrophobicContact CE2-CG 3.78Å; Y12-E127 HydrophobicContact CG-CB 4.13Å; Y12-E127 HydrophobicContact CG-CG 4.48Å; Y12-E127 WeakPolarHBondContact OH-CG 3.44Å; Y12-Y141 WeakPolarHBondContact CE1-OH 3.34Å
13L96.6Very high95.5Very high50 Ų5081.6 Ų81.626%0.26240%0.395SS..Hα-helixtrans-51.4-44.8179.3-17666.9000112.1F9 T10 R15 F16 F22F9-L13 HydrophobicContact CD1-CD2 4.47Å; F9-L13 HydrophobicContact CE1-CB 4.37Å; F9-L13 HydrophobicContact CE1-CD1 4.32Å; F9-L13 HydrophobicContact CE1-CD2 3.84Å; F9-L13 HydrophobicContact CE1-CG 4.42Å; F9-L13 HydrophobicContact CZ-CD1 4.13Å; F9-L13 HydrophobicContact CZ-CD2 4.47Å; F9-L13 WeakPolarHBondContact O-CB 3.34Å; F9-L13 PolarHBondContact O-N 2.73Å; T10-L13 PolarHBondContact O-N 3.15Å; L13-R15 PolarHBondContact O-N 3.22Å; L13-F16 PolarHBondContact O-N 2.9Å; L13-F22 HydrophobicContact CD1-CB 4.27Å; L13-F22 HydrophobicContact CD1-CD1 3.52Å; L13-F22 HydrophobicContact CD1-CE1 4.26Å; L13-F22 HydrophobicContact CD1-CG 4.24Å; L13-F22 WeakPolarHBondContact CD1-O 3.41Å
14R96.5Very high95.6Very high176 Ų17678.7 Ų78.766%0.66438%0.379SS*.THydrogen-bonded Turntrans-69.1-13.3-179.571.2-175.4-173.1157.43.8114.6T10 E11 Y12T10-R14 WeakPolarHBondContact O-CG 3.48Å; T10-R14 PolarHBondContact O-N 2.76Å; T10-R14 VanDerWaalsContact O-N 3.13Å; E11-R14 WeakPolarHBondContact O-CG 3.46Å; E11-R14 IonicContact OE1-CZ 2.7Å; E11-R14 IonicContact OE1-NE 3.44Å; E11-R14 PolarHBondContact OE1-NE 2.97Å; E11-R14 IonicContact OE1-NH2 3.94Å; E11-R14 PolarHBondContact OE1-NH2 3.3Å; E11-R14 IonicContact OE2-CZ 3.53Å; E11-R14 IonicContact OE2-NE 3.47Å; E11-R14 PolarHBondContact OE2-NE 3.14Å; E11-R14 VanDerWaalsContact OE2-NE 3.15Å; E11-R14 IonicContact OE2-NH1 3.43Å; E11-R14 IonicContact OE2-NH2 2.83Å; E11-R14 PolarHBondContact OE2-NH2 3.2Å; Y12-R14 VanDerWaalsContact C-N 3.25Å; Y12-R14 PolarHBondContact O-N 3.29Å
15R96Very high95.7Very high85 Ų8575.7 Ų75.732%0.32137%0.374SS..THydrogen-bonded Turntrans-88.6-18.6-179.5-58.8176.2-174.9-158.5-3.2112.5E11 Y12 L13 Y130E11-R15 WeakPolarHBondContact O-CG 3.42Å; E11-R15 PolarHBondContact O-NE 3.1Å; E11-R15 IonicContact OE1-CZ 3.25Å; E11-R15 IonicContact OE1-NE 3Å; E11-R15 PolarHBondContact OE1-NE 3.13Å; E11-R15 IonicContact OE1-NH2 2.77Å; E11-R15 PolarHBondContact OE1-NH2 2.63Å; Y12-R15 WeakPolarHBondContact O-CB 3.39Å; Y12-R15 PolarHBondContact O-N 2.65Å; L13-R15 PolarHBondContact O-N 3.22Å; R15-Y130 HydrophobicContact CB-CD2 3.91Å; R15-Y130 HydrophobicContact CB-CE1 4.2Å; R15-Y130 HydrophobicContact CB-CE2 3.5Å; R15-Y130 VanDerWaalsContact CB-CE2 3.5Å; R15-Y130 HydrophobicContact CB-CG 4.43Å; R15-Y130 VanDerWaalsContact O-CE2 3.31Å; R15-Y130 WeakPolarHBondContact O-CE2 3.28Å
16F96.7Very high95.8Very high24 Ų2481.4 Ų81.411%0.10540%0.401CS..  trans-61.4132.8179.4-80.5-92.1000110.6Y12 L13 M20 F22 A126 L129Y12-F16 VanDerWaalsContact O-CD2 3.29Å; Y12-F16 WeakPolarHBondContact O-CD2 3.39Å; L13-F16 PolarHBondContact O-N 2.9Å; F16-M20 HydrophobicContact CD1-CE 4.24Å; F16-M20 HydrophobicContact CD1-CG 4.21Å; F16-M20 HydrophobicContact CD1-SD 4.03Å; F16-M20 HydrophobicContact CE1-CE 3.72Å; F16-M20 HydrophobicContact CE1-SD 3.99Å; F16-F22 HydrophobicContact CB-CB 4.2Å; F16-F22 HydrophobicContact CD1-CB 3.76Å; F16-F22 HydrophobicContact CD1-CG 4.41Å; F16-F22 HydrophobicContact CD2-CB 3.92Å; F16-F22 AromaticContact CD2-CD1 3.88Å; F16-F22 HydrophobicContact CD2-CD1 3.88Å; F16-F22 HydrophobicContact CD2-CG 4.24Å; F16-F22 HydrophobicContact CE1-CB 4.11Å; F16-F22 HydrophobicContact CE1-CG 4.27Å; F16-F22 HydrophobicContact CE2-CB 4.24Å; F16-F22 AromaticContact CE2-CD1 3.57Å; F16-F22 HydrophobicContact CE2-CD1 3.57Å; F16-F22 HydrophobicContact CE2-CE1 4.21Å; F16-F22 HydrophobicContact CE2-CG 4.09Å; F16-F22 HydrophobicContact CG-CB 3.66Å; F16-F22 HydrophobicContact CG-CD1 4.48Å; F16-F22 HydrophobicContact CG-CG 4.39Å; F16-F22 HydrophobicContact CZ-CB 4.32Å; F16-F22 AromaticContact CZ-CD1 3.93Å; F16-F22 HydrophobicContact CZ-CD1 3.93Å; F16-F22 HydrophobicContact CZ-CE1 4.46Å; F16-F22 HydrophobicContact CZ-CG 4.1Å; F16-A126 WeakPolarHBondContact CZ-O 3.36Å; F16-L129 HydrophobicContact CE1-CB 3.99Å; F16-L129 HydrophobicContact CZ-CB 3.78Å
17P94.1Very high95.9Very high29 Ų2977.9 Ų77.919%0.18839%0.385CS..  trans-76.6169.5-179.439-44000111.3D19 M20 W133P17-D19 WeakPolarHBondContact CB-OD1 3.22Å; P17-D19 WeakPolarHBondContact CG-OD1 3.37Å; P17-D19 PolarHBondContact O-N 3.46Å; P17-M20 HydrophobicContact CG-CB 3.99Å; P17-M20 CarbonylContact O-C 3.53Å; P17-M20 VanDerWaalsContact O-C 3.3Å; P17-M20 PolarHBondContact O-N 2.93Å; P17-M20 VanDerWaalsContact O-N 3.14Å; P17-W133 HydrophobicContact CB-CZ2 3.94Å; P17-W133 HydrophobicContact CG-CD2 4.28Å; P17-W133 VanDerWaalsContact CG-CE2 3.49Å; P17-W133 HydrophobicContact CG-CH2 4.38Å; P17-W133 HydrophobicContact CG-CZ2 3.55Å
18K93Very high95.7Very high209 Ų20977.7 Ų77.791%0.90939%0.385SS*.THydrogen-bonded Turntrans-65.4-25.6-179.8-65.2-174.7179.2-178.20114M20K18-M20 VanDerWaalsContact C-N 3.29Å
19D90.9Very high95.5Very high104 Ų10480.5 Ų80.556%0.55641%0.407SS*.THydrogen-bonded Turntrans-84.4-2.417868.7-50.7000113.2P17 K81P17-D19 WeakPolarHBondContact CB-OD1 3.22Å; P17-D19 WeakPolarHBondContact CG-OD1 3.37Å; P17-D19 PolarHBondContact O-N 3.46Å; D19-K81 IonicContact OD2-NZ 3.15Å
20M94Very high95.2Very high23 Ų2381.1 Ų81.111%0.11342%0.417CS..SBendtrans-139.868.6172.1-171.7-175.3172.100109F16 P17 K18 F22 L77 L129 W133F16-M20 HydrophobicContact CD1-CE 4.24Å; F16-M20 HydrophobicContact CD1-CG 4.21Å; F16-M20 HydrophobicContact CD1-SD 4.03Å; F16-M20 HydrophobicContact CE1-CE 3.72Å; F16-M20 HydrophobicContact CE1-SD 3.99Å; P17-M20 HydrophobicContact CG-CB 3.99Å; P17-M20 CarbonylContact O-C 3.53Å; P17-M20 VanDerWaalsContact O-C 3.3Å; P17-M20 PolarHBondContact O-N 2.93Å; P17-M20 VanDerWaalsContact O-N 3.14Å; K18-M20 VanDerWaalsContact C-N 3.29Å; M20-F22 PolarHBondContact O-N 3.28Å; M20-L77 HydrophobicContact CE-CD1 3.29Å; M20-L77 HydrophobicContact CE-CD2 3.99Å; M20-L77 HydrophobicContact CE-CG 4.29Å; M20-L77 HydrophobicContact SD-CD1 3.86Å; M20-L77 HydrophobicContact SD-CD2 3.81Å; M20-L77 HydrophobicContact SD-CG 4.43Å; M20-L129 HydrophobicContact CE-CB 4.24Å; M20-L129 HydrophobicContact CE-CD2 4.43Å; M20-W133 HydrophobicContact SD-CB 3.77Å; M20-W133 HydrophobicContact SD-CG 3.96Å
21P95.4Very high95Very high112 Ų11287.1 Ų87.173%0.72744%0.438SS*.  trans-59.1136.517727.3-34.3000109.3
22F97.3Very high94.8Very high47 Ų4788.2 Ų88.221%0.20644%0.439CS..  trans-130.6133.7177.9-175.7-120.8000108.2F9 L13 F16 M20 V125 A126 L129F9-F22 AromaticContact CE2-CE1 3.61Å; F9-F22 HydrophobicContact CE2-CE1 3.61Å; F9-F22 HydrophobicContact CE2-CZ 4.16Å; F9-F22 AromaticContact CZ-CE1 3.84Å; F9-F22 HydrophobicContact CZ-CE1 3.84Å; F9-F22 HydrophobicContact CZ-CZ 4.48Å; L13-F22 HydrophobicContact CD1-CB 4.27Å; L13-F22 HydrophobicContact CD1-CD1 3.52Å; L13-F22 HydrophobicContact CD1-CE1 4.26Å; L13-F22 HydrophobicContact CD1-CG 4.24Å; L13-F22 WeakPolarHBondContact CD1-O 3.41Å; F16-F22 HydrophobicContact CB-CB 4.2Å; F16-F22 HydrophobicContact CD1-CB 3.76Å; F16-F22 HydrophobicContact CD1-CG 4.41Å; F16-F22 HydrophobicContact CD2-CB 3.92Å; F16-F22 AromaticContact CD2-CD1 3.88Å; F16-F22 HydrophobicContact CD2-CD1 3.88Å; F16-F22 HydrophobicContact CD2-CG 4.24Å; F16-F22 HydrophobicContact CE1-CB 4.11Å; F16-F22 HydrophobicContact CE1-CG 4.27Å; F16-F22 HydrophobicContact CE2-CB 4.24Å; F16-F22 AromaticContact CE2-CD1 3.57Å; F16-F22 HydrophobicContact CE2-CD1 3.57Å; F16-F22 HydrophobicContact CE2-CE1 4.21Å; F16-F22 HydrophobicContact CE2-CG 4.09Å; F16-F22 HydrophobicContact CG-CB 3.66Å; F16-F22 HydrophobicContact CG-CD1 4.48Å; F16-F22 HydrophobicContact CG-CG 4.39Å; F16-F22 HydrophobicContact CZ-CB 4.32Å; F16-F22 AromaticContact CZ-CD1 3.93Å; F16-F22 HydrophobicContact CZ-CD1 3.93Å; F16-F22 HydrophobicContact CZ-CE1 4.46Å; F16-F22 HydrophobicContact CZ-CG 4.1Å; M20-F22 PolarHBondContact O-N 3.28Å; F22-V125 HydrophobicContact CZ-CG1 4.33Å; F22-A126 HydrophobicContact CE1-CB 3.76Å; F22-A126 HydrophobicContact CZ-CB 4.43Å; F22-L129 HydrophobicContact CD2-CD1 4.25Å; F22-L129 HydrophobicContact CE2-CD1 3.73Å; F22-L129 HydrophobicContact CZ-CD1 4.16Å
23E96.9Very high94.5Very high147 Ų14788.2 Ų88.269%0.68746%0.455SS*.  trans-143161.4-179.868.9176.116400111.4
24L96.6Very high94.3Very high63 Ų6395.9 Ų95.933%0.3349%0.486SS..  trans-117.3117.4176.5175.466.2000109.5F9 E26 R122F9-L24 HydrophobicContact CD1-CD2 4.28Å; F9-L24 HydrophobicContact CE1-CB 3.75Å; F9-L24 HydrophobicContact CE1-CD2 3.83Å; F9-L24 HydrophobicContact CE1-CG 4.41Å; F9-L24 HydrophobicContact CZ-CB 3.64Å; F9-L24 HydrophobicContact CZ-CD2 4.15Å; F9-L24 HydrophobicContact CZ-CG 4.39Å; L24-E26 HydrophobicContact CD2-CG 4.16Å; L24-E26 HydrophobicContact CG-CG 4.1Å; L24-R122 HydrophobicContact CD1-CG 4.41Å
25I97.1Very high94.1Very high97 Ų9794.8 Ų94.850%0.49749%0.494SS..  trans-100.5114.4170.7-57.5175.8000108.2I27 A52I25-I27 HydrophobicContact CG2-CD1 4.26Å; I25-A52 HydrophobicContact CG2-CB 4.3Å
26E95.8Very high93.9Very high122 Ų12292.1 Ų92.157%0.5749%0.49SS*.PPolyproline II helixtrans-88.1120.4177.5-63.8-163.790.200111.2L24 R122L24-E26 HydrophobicContact CD2-CG 4.16Å; L24-E26 HydrophobicContact CG-CG 4.1Å; E26-R122 IonicContact OE1-CZ 3.26Å; E26-R122 VanDerWaalsContact OE1-CZ 3.23Å; E26-R122 IonicContact OE1-NH1 2.97Å; E26-R122 PolarHBondContact OE1-NH1 2.89Å; E26-R122 IonicContact OE1-NH2 3.67Å; E26-R122 PolarHBondContact OE1-NH2 2.92Å
27I96.3Very high93.9Very high44 Ų4495.4 Ų95.423%0.22651%0.508CS..PPolyproline II helixtrans-85.4126.9174.3-56.9-55.6000109.4I25 A29 Q48 M49 A52I25-I27 HydrophobicContact CG2-CD1 4.26Å; I27-A29 PolarHBondContact O-N 3.4Å; I27-A29 VanDerWaalsContact O-N 3.16Å; I27-Q48 HydrophobicContact CD1-CB 4.35Å; I27-Q48 HydrophobicContact CG2-CB 3.67Å; I27-M49 HydrophobicContact CB-CG 4.46Å; I27-M49 HydrophobicContact CG1-CE 4.47Å; I27-M49 HydrophobicContact CG1-CG 3.7Å; I27-A52 HydrophobicContact CD1-CB 4.21Å
28P93.7Very high94Very high92 Ų9297.1 Ų97.160%0.59752%0.515SS*.PPolyproline II helixtrans-59.8118.5179.8-25.134.6000112.3G30P28-G30 PolarHBondContact O-N 3.2Å
29A91.4Very high94.1Very high79 Ų7994.2 Ų94.265%0.65350%0.503SS*.PPolyproline II helixtrans-68.9131.4178.300000111.7I27 E45I27-A29 PolarHBondContact O-N 3.4Å; I27-A29 VanDerWaalsContact O-N 3.16Å; A29-E45 WeakPolarHBondContact CA-OE1 3.47Å
30G91.3Very high94.4Very high27 Ų2798.2 Ų98.228%0.27851%0.51SS..PPolyproline II helixtrans-60.3156.1167.600000112.5P28 R32 E45P28-G30 PolarHBondContact O-N 3.2Å; G30-R32 WeakPolarHBondContact O-CD 3.37Å; G30-R32 PolarHBondContact O-N 2.93Å; G30-R32 PolarHBondContact O-NH1 3.21Å; G30-E45 PolarHBondContact N-OE1 3.35Å
31K92.1Very high94.5Very high194 Ų19498.3 Ų98.384%0.84351%0.511SS*.PPolyproline II helixtrans-80.6118.4179.3-67.3-177.3178.8-179.60110.9G33 I41K31-G33 PolarHBondContact O-N 2.87Å; K31-I41 WeakPolarHBondContact O-CD1 3.45Å
32R91.9Very high94.6Very high77 Ų7794.2 Ų94.229%0.29148%0.483SS..  trans-91.776.5174.4-70.786.4170.3149.24.3111.8G30 I38 E45 E95G30-R32 WeakPolarHBondContact O-CD 3.37Å; G30-R32 PolarHBondContact O-N 2.93Å; G30-R32 PolarHBondContact O-NH1 3.21Å; R32-I38 HydrophobicContact CG-CD1 3.92Å; R32-E45 IonicContact CZ-OE1 3.95Å; R32-E45 VanDerWaalsContact CZ-OE1 3.25Å; R32-E45 IonicContact CZ-OE2 2.83Å; R32-E45 IonicContact NH1-OE1 2.68Å; R32-E45 PolarHBondContact NH1-OE1 3.27Å; R32-E45 IonicContact NH1-OE2 3.86Å; R32-E45 VanDerWaalsContact NH2-CD 3.33Å; R32-E45 IonicContact NH2-OE1 3.98Å; R32-E45 PolarHBondContact NH2-OE1 3.36Å; R32-E45 IonicContact NH2-OE2 3.38Å; R32-E45 PolarHBondContact NH2-OE2 3.36Å; R32-E95 WeakPolarHBondContact CG-OE1 3.34Å; R32-E95 IonicContact CZ-OE2 3.39Å; R32-E95 IonicContact NE-OE1 3.29Å; R32-E95 PolarHBondContact NE-OE1 2.97Å; R32-E95 IonicContact NE-OE2 3.09Å; R32-E95 PolarHBondContact NE-OE2 2.83Å; R32-E95 VanDerWaalsContact NE-OE2 3.09Å; R32-E95 IonicContact NH2-OE2 2.85Å; R32-E95 PolarHBondContact NH2-OE2 3.06Å
33G91.5Very high94.6Very high52 Ų5294.8 Ų94.854%0.53649%0.488SS..  trans-84.8177.9170.100000113.3K31 N35 A36K31-G33 PolarHBondContact O-N 2.87Å; G33-N35 PolarHBondContact O-N 3.27Å; G33-N35 VanDerWaalsContact O-N 3.11Å; G33-A36 VanDerWaalsContact O-CB 3.27Å; G33-A36 WeakPolarHBondContact O-CB 3.29Å; G33-A36 PolarHBondContact O-N 3.19Å
34K91.5Very high94.6Very high210 Ų21093.7 Ų93.791%0.91348%0.481SS*.THydrogen-bonded Turntrans-53.5-34.2-176.1-172.2177.5178.9-179.40114.9
35N92.4Very high94.7Very high154 Ų15491.4 Ų91.482%0.82447%0.468SS*.THydrogen-bonded Turntrans-115.827.3-179.7-59.2-24.8000111.8G33 D37G33-N35 PolarHBondContact O-N 3.27Å; G33-N35 VanDerWaalsContact O-N 3.11Å; N35-D37 PolarHBondContact O-N 3.14Å
36A92.8Very high94.7Very high29 Ų2986.9 Ų86.924%0.2445%0.446CS..  trans-65.6131.7-179.600000110.9G33 I38 I41G33-A36 VanDerWaalsContact O-CB 3.27Å; G33-A36 WeakPolarHBondContact O-CB 3.29Å; G33-A36 PolarHBondContact O-N 3.19Å; A36-I38 VanDerWaalsContact C-N 3.34Å; A36-I38 HydrophobicContact CB-CD1 4.2Å; A36-I38 PolarHBondContact O-N 3.04Å; A36-I41 HydrophobicContact CB-CD1 3.88Å
37D95.7Very high94.8Very high92 Ų9287.4 Ų87.449%0.49245%0.448SS..  trans-75.590169-175.7-14.6000108.9N35 K39 R40 I41N35-D37 PolarHBondContact O-N 3.14Å; D37-K39 PolarHBondContact O-N 2.88Å; D37-K39 PolarHBondContact OD1-N 3.46Å; D37-R40 HydrophobicContact CB-CB 3.97Å; D37-R40 VanDerWaalsContact CG-CB 3.4Å; D37-R40 PolarHBondContact O-N 3.38Å; D37-R40 PolarHBondContact OD1-N 2.88Å; D37-R40 WeakPolarHBondContact OD2-CB 3.31Å; D37-I41 WeakPolarHBondContact O-CG1 3.11Å; D37-I41 PolarHBondContact O-N 3.49Å
38I95.7Very high94.9Very high65 Ų6588.4 Ų88.433%0.33345%0.452SS..Hα-helixtrans-59.1-37.7-177.9-62.1-56.4000111.5R32 A36 I41 L42 E95R32-I38 HydrophobicContact CG-CD1 3.92Å; A36-I38 VanDerWaalsContact C-N 3.34Å; A36-I38 HydrophobicContact CB-CD1 4.2Å; A36-I38 PolarHBondContact O-N 3.04Å; I38-I41 PolarHBondContact O-N 3.41Å; I38-L42 HydrophobicContact CG2-CD1 4.17Å; I38-L42 HydrophobicContact CG2-CG 4.46Å; I38-L42 WeakPolarHBondContact O-CB 3.37Å; I38-L42 WeakPolarHBondContact O-CG 3.39Å; I38-L42 PolarHBondContact O-N 2.9Å; I38-E95 HydrophobicContact CG2-CB 4.15Å; I38-E95 HydrophobicContact CG2-CG 3.73Å
39K96Very high95.2Very high149 Ų14985.1 Ų85.165%0.64843%0.429SS*.Hα-helixtrans-63.2-50.1179.1-177.1-177.3175.7-175.50110.2D37 I41 L42 D43D37-K39 PolarHBondContact O-N 2.88Å; D37-K39 PolarHBondContact OD1-N 3.46Å; K39-I41 VanDerWaalsContact C-N 3.27Å; K39-I41 PolarHBondContact O-N 2.92Å; K39-L42 PolarHBondContact O-N 3.33Å; K39-D43 VanDerWaalsContact O-CG 3.29Å; K39-D43 PolarHBondContact O-N 2.91Å
40R96.5Very high95.5Very high187 Ų18783.7 Ų83.771%0.70641%0.41SS*.Hα-helixtrans-61.8-35.6177.3-176.9175.7-178.5163.42.9112.7D37 K44D37-R40 HydrophobicContact CB-CB 3.97Å; D37-R40 VanDerWaalsContact CG-CB 3.4Å; D37-R40 PolarHBondContact O-N 3.38Å; D37-R40 PolarHBondContact OD1-N 2.88Å; D37-R40 WeakPolarHBondContact OD2-CB 3.31Å; R40-K44 WeakPolarHBondContact O-CB 2.99Å; R40-K44 PolarHBondContact O-N 3.23Å; R40-K44 VanDerWaalsContact O-N 3.08Å
41I96.7Very high95.9Very high25 Ų2586.1 Ų86.113%0.12843%0.428CS..Hα-helixtrans-64.3-50.2175.2-71.3166.9000110.4K31 A36 D37 I38 K39 D43 K44 E45K31-I41 WeakPolarHBondContact O-CD1 3.45Å; A36-I41 HydrophobicContact CB-CD1 3.88Å; D37-I41 WeakPolarHBondContact O-CG1 3.11Å; D37-I41 PolarHBondContact O-N 3.49Å; I38-I41 PolarHBondContact O-N 3.41Å; K39-I41 VanDerWaalsContact C-N 3.27Å; K39-I41 PolarHBondContact O-N 2.92Å; I41-D43 PolarHBondContact O-N 3.36Å; I41-K44 PolarHBondContact O-N 3.04Å; I41-E45 HydrophobicContact CG2-CG 4.41Å; I41-E45 WeakPolarHBondContact CG2-OE1 3.37Å; I41-E45 WeakPolarHBondContact O-CB 3.45Å; I41-E45 WeakPolarHBondContact O-CG 3.36Å; I41-E45 PolarHBondContact O-N 3.14Å
42L96.7Very high96.1Very high26 Ų2679.1 Ų79.114%0.13641%0.406CS..Hα-helixtrans-59.4-44.6177.6-80.4174.6000112I38 K39 K44 E45 G46 E95 G96 S98I38-L42 HydrophobicContact CG2-CD1 4.17Å; I38-L42 HydrophobicContact CG2-CG 4.46Å; I38-L42 WeakPolarHBondContact O-CB 3.37Å; I38-L42 WeakPolarHBondContact O-CG 3.39Å; I38-L42 PolarHBondContact O-N 2.9Å; K39-L42 PolarHBondContact O-N 3.33Å; L42-K44 PolarHBondContact O-N 3.13Å; L42-E45 PolarHBondContact O-N 3.28Å; L42-G46 PolarHBondContact O-N 3.39Å; L42-E95 HydrophobicContact CD1-CB 3.94Å; L42-E95 HydrophobicContact CD2-CB 3.94Å; L42-E95 HydrophobicContact CG-CB 4.14Å; L42-G96 WeakPolarHBondContact CD2-O 3.49Å; L42-S98 WeakPolarHBondContact O-CB 3.49Å
43D97.5Very high96.5Very high59 Ų5975.6 Ų75.632%0.31639%0.393SS..Hα-helixtrans-61.1-46.3179.2-69.8-20.3000110.6K39 I41 G46 E47K39-D43 VanDerWaalsContact O-CG 3.29Å; K39-D43 PolarHBondContact O-N 2.91Å; I41-D43 PolarHBondContact O-N 3.36Å; D43-G46 PolarHBondContact O-N 2.88Å; D43-E47 WeakPolarHBondContact O-CG 3.33Å; D43-E47 PolarHBondContact O-N 3.08Å
44K97.6Very high96.7Very high125 Ų12575.8 Ų75.854%0.54340%0.395SS..Hα-helixtrans-65-43.7177.8-176.1176.5-179.7179.70113.1R40 I41 L42 G46 E47 Q48R40-K44 WeakPolarHBondContact O-CB 2.99Å; R40-K44 PolarHBondContact O-N 3.23Å; R40-K44 VanDerWaalsContact O-N 3.08Å; I41-K44 PolarHBondContact O-N 3.04Å; L42-K44 PolarHBondContact O-N 3.13Å; K44-G46 VanDerWaalsContact C-N 3.27Å; K44-G46 PolarHBondContact O-N 3.47Å; K44-E47 PolarHBondContact O-N 3.01Å; K44-Q48 WeakPolarHBondContact O-CG 3.31Å; K44-Q48 PolarHBondContact O-N 3.46Å; K44-Q48 VanDerWaalsContact O-N 3.11Å
45E97.9Very high97Very high14 Ų1475 Ų757%0.06539%0.392CS..Hα-helixtrans-62.8-39.5175.8-74.1174.1179.600110.7A29 G30 R32 I41 L42 Q48 M49A29-E45 WeakPolarHBondContact CA-OE1 3.47Å; G30-E45 PolarHBondContact N-OE1 3.35Å; R32-E45 IonicContact CZ-OE1 3.95Å; R32-E45 VanDerWaalsContact CZ-OE1 3.25Å; R32-E45 IonicContact CZ-OE2 2.83Å; R32-E45 IonicContact NH1-OE1 2.68Å; R32-E45 PolarHBondContact NH1-OE1 3.27Å; R32-E45 IonicContact NH1-OE2 3.86Å; R32-E45 VanDerWaalsContact NH2-CD 3.33Å; R32-E45 IonicContact NH2-OE1 3.98Å; R32-E45 PolarHBondContact NH2-OE1 3.36Å; R32-E45 IonicContact NH2-OE2 3.38Å; R32-E45 PolarHBondContact NH2-OE2 3.36Å; I41-E45 HydrophobicContact CG2-CG 4.41Å; I41-E45 WeakPolarHBondContact CG2-OE1 3.37Å; I41-E45 WeakPolarHBondContact O-CB 3.45Å; I41-E45 WeakPolarHBondContact O-CG 3.36Å; I41-E45 PolarHBondContact O-N 3.14Å; L42-E45 PolarHBondContact O-N 3.28Å; E45-Q48 PolarHBondContact O-N 2.72Å; E45-M49 WeakPolarHBondContact O-CG 3.38Å; E45-M49 PolarHBondContact O-N 3.01Å
46G98.2Very high97.3Very high2 Ų269.9 Ų69.92%0.02136%0.364CS..Hα-helixtrans-65.1-42.8175.900000113.4L42 D43 K44 Q48 M49 L50 C101L42-G46 PolarHBondContact O-N 3.39Å; D43-G46 PolarHBondContact O-N 2.88Å; K44-G46 VanDerWaalsContact C-N 3.27Å; K44-G46 PolarHBondContact O-N 3.47Å; G46-Q48 VanDerWaalsContact C-N 3.29Å; G46-Q48 PolarHBondContact O-N 2.88Å; G46-M49 PolarHBondContact O-N 3.46Å; G46-L50 WeakPolarHBondContact O-CB 3.08Å; G46-L50 VanDerWaalsContact O-CG 3.28Å; G46-L50 WeakPolarHBondContact O-CG 3.32Å; G46-L50 PolarHBondContact O-N 3.1Å; G46-C101 WeakPolarHBondContact CA-SG 3.24Å
47E98.2Very high97.5Very high134 Ų13470.4 Ų70.463%0.62636%0.36SS*.Hα-helixtrans-57.2-43.6172.4-75171.6-174.600111.4D43 K44 L50 A51D43-E47 WeakPolarHBondContact O-CG 3.33Å; D43-E47 PolarHBondContact O-N 3.08Å; K44-E47 PolarHBondContact O-N 3.01Å; E47-L50 PolarHBondContact O-N 2.82Å; E47-A51 VanDerWaalsContact O-CB 3.29Å; E47-A51 WeakPolarHBondContact O-CB 3.2Å; E47-A51 PolarHBondContact O-N 3.49Å
48Q98.4Very high97.7Very high64 Ų6466.7 Ų66.730%0.29934%0.34SS..Hα-helixtrans-67.1-40.5177.6-69.3174.8-28.300112.4I27 K44 E45 G46 A51 A52I27-Q48 HydrophobicContact CD1-CB 4.35Å; I27-Q48 HydrophobicContact CG2-CB 3.67Å; K44-Q48 WeakPolarHBondContact O-CG 3.31Å; K44-Q48 PolarHBondContact O-N 3.46Å; K44-Q48 VanDerWaalsContact O-N 3.11Å; E45-Q48 PolarHBondContact O-N 2.72Å; G46-Q48 VanDerWaalsContact C-N 3.29Å; G46-Q48 PolarHBondContact O-N 2.88Å; Q48-A51 PolarHBondContact O-N 3.36Å; Q48-A52 WeakPolarHBondContact O-CB 3.33Å; Q48-A52 PolarHBondContact O-N 3.15Å
49M98.5Very high97.8Very high23 Ų2363.6 Ų63.611%0.11332%0.324CS..Hα-helixtrans-61-47.1174-76179179.300111.7I27 E45 G46 A52 A53 L90 I91 L97I27-M49 HydrophobicContact CB-CG 4.46Å; I27-M49 HydrophobicContact CG1-CE 4.47Å; I27-M49 HydrophobicContact CG1-CG 3.7Å; E45-M49 WeakPolarHBondContact O-CG 3.38Å; E45-M49 PolarHBondContact O-N 3.01Å; G46-M49 PolarHBondContact O-N 3.46Å; M49-A52 PolarHBondContact O-N 3.1Å; M49-A53 WeakPolarHBondContact O-CB 3.39Å; M49-A53 PolarHBondContact O-N 3.37Å; M49-L90 HydrophobicContact CB-CD2 4.35Å; M49-I91 VanDerWaalsContact CE-O 3.25Å; M49-I91 WeakPolarHBondContact CE-O 3.47Å; M49-L97 HydrophobicContact CE-CD2 4.32Å; M49-L97 HydrophobicContact SD-CD2 3.62Å
50L98.6Very high98Very high49 Ų4956.7 Ų56.726%0.25730%0.295SS..Hα-helixtrans-67-38.8179.7-68.9174.5000111.8G46 E47 A53 G54 I58 A100 A104G46-L50 WeakPolarHBondContact O-CB 3.08Å; G46-L50 VanDerWaalsContact O-CG 3.28Å; G46-L50 WeakPolarHBondContact O-CG 3.32Å; G46-L50 PolarHBondContact O-N 3.1Å; E47-L50 PolarHBondContact O-N 2.82Å; L50-A53 PolarHBondContact O-N 2.93Å; L50-G54 PolarHBondContact O-N 3.02Å; L50-I58 HydrophobicContact CD2-CD1 3.73Å; L50-A100 HydrophobicContact CD1-CB 4.02Å; L50-A104 HydrophobicContact CD2-CB 3.69Å
51A98.4Very high98Very high79 Ų7948.7 Ų48.765%0.65327%0.266SS*.Hα-helixtrans-62.6-41.8174.200000112E47 Q48 G54E47-A51 VanDerWaalsContact O-CB 3.29Å; E47-A51 WeakPolarHBondContact O-CB 3.2Å; E47-A51 PolarHBondContact O-N 3.49Å; Q48-A51 PolarHBondContact O-N 3.36Å; A51-G54 PolarHBondContact O-N 3.14Å
52A98.3Very high98Very high47 Ų4749.3 Ų49.339%0.38827%0.269SS..Hα-helixtrans-68.5-35175.800000112.7I25 I27 Q48 M49I25-A52 HydrophobicContact CG2-CB 4.3Å; I27-A52 HydrophobicContact CD1-CB 4.21Å; Q48-A52 WeakPolarHBondContact O-CB 3.33Å; Q48-A52 PolarHBondContact O-N 3.15Å; M49-A52 PolarHBondContact O-N 3.1Å
53A98.3Very high97.9Very high2 Ų251.8 Ų51.82%0.01728%0.282CS..Hα-helixtrans-71.3-29.4176.600000113M49 L50 K55 N56 I58 S88M49-A53 WeakPolarHBondContact O-CB 3.39Å; M49-A53 PolarHBondContact O-N 3.37Å; L50-A53 PolarHBondContact O-N 2.93Å; A53-K55 PolarHBondContact O-N 3.36Å; A53-K55 VanDerWaalsContact O-N 3.09Å; A53-N56 WeakPolarHBondContact O-CB 3.32Å; A53-N56 PolarHBondContact O-N 3.41Å; A53-N56 PolarHBondContact O-ND2 3.37Å; A53-N56 PolarHBondContact O-OD1 2.86Å; A53-I58 HydrophobicContact CB-CD1 4.27Å; A53-I58 HydrophobicContact CB-CG1 4.22Å; A53-S88 WeakPolarHBondContact CA-OG 3.28Å
54G97.1Very high97.8Very high57 Ų5754.1 Ų54.159%0.58830%0.3SS*.THydrogen-bonded Turntrans59.3-114.4177.200000112.7L50 A51L50-G54 PolarHBondContact O-N 3.02Å; A51-G54 PolarHBondContact O-N 3.14Å
55K96.9Very high97.8Very high194 Ų19448.6 Ų48.684%0.84328%0.279SS*.THydrogen-bonded Turntrans-106.38.3179.3-63.8-175.4-179.6179.20113.4A53A53-K55 PolarHBondContact O-N 3.36Å; A53-K55 VanDerWaalsContact O-N 3.09Å
56N98.5Very high97.8Very high45 Ų4553.2 Ų53.224%0.24130%0.299CS..SBendtrans-62.7154.8-178.7-63.73.5000110.3A53 I58 D86 S88A53-N56 WeakPolarHBondContact O-CB 3.32Å; A53-N56 PolarHBondContact O-N 3.41Å; A53-N56 PolarHBondContact O-ND2 3.37Å; A53-N56 PolarHBondContact O-OD1 2.86Å; N56-I58 PolarHBondContact O-N 3.24Å; N56-D86 CarbonylContact C-O 3.3Å; N56-D86 VanDerWaalsContact CA-O 3.28Å; N56-D86 WeakPolarHBondContact CA-O 3.35Å; N56-D86 HydrophobicContact CB-CB 4.36Å; N56-D86 VanDerWaalsContact CB-O 3.24Å; N56-D86 WeakPolarHBondContact CB-O 3.49Å; N56-S88 WeakPolarHBondContact CB-OG 3.46Å; N56-S88 PolarHBondContact ND2-OG 2.86Å
57R98.6Very high97.8Very high40 Ų4057.6 Ų57.615%0.15133%0.327CS..EExtended strand (participates in β ladder)trans-62.7125.6165.7170.4-178.3-79.4-79.5-8.1108.2V59 D83 D86 V87 S88 E106R57-V59 HydrophobicContact CG-CG2 4.45Å; R57-D83 IonicContact CZ-OD2 3.23Å; R57-D83 IonicContact NE-OD2 3.2Å; R57-D83 PolarHBondContact NE-OD2 3.07Å; R57-D83 IonicContact NH2-OD2 2.73Å; R57-D83 PolarHBondContact NH2-OD2 3.39Å; R57-D86 PolarHBondContact N-O 3.25Å; R57-V87 HydrophobicContact CB-CG2 4.35Å; R57-V87 CarbonylContact O-C 3.55Å; R57-V87 WeakPolarHBondContact O-CA 3.38Å; R57-S88 PolarHBondContact O-N 3.08Å; R57-E106 IonicContact CZ-OE2 3.86Å; R57-E106 IonicContact NE-OE2 2.97Å; R57-E106 IonicContact NH1-OE2 3.33Å; R57-E106 PolarHBondContact NH1-OE2 3.45Å; R57-E106 IonicContact NH2-OE2 2.81Å; R57-E106 PolarHBondContact NH2-OE2 2.91Å
58I98.8Very high97.8Very high14 Ų1452.6 Ų52.67%0.07230%0.303CS..EExtended strand (participates in β ladder)trans-96.4125-179.4-64.6173000110L50 A53 N56 T60 L90 A104 A105 E106 Q107L50-I58 HydrophobicContact CD2-CD1 3.73Å; A53-I58 HydrophobicContact CB-CD1 4.27Å; A53-I58 HydrophobicContact CB-CG1 4.22Å; N56-I58 PolarHBondContact O-N 3.24Å; I58-T60 HydrophobicContact CG2-CG2 4.41Å; I58-L90 HydrophobicContact CG2-CD1 3.57Å; I58-L90 HydrophobicContact CG2-CG 3.94Å; I58-A104 HydrophobicContact CD1-CB 3.84Å; I58-A105 HydrophobicContact CG2-CB 4.09Å; I58-E106 PolarHBondContact O-N 2.83Å; I58-Q107 PolarHBondContact O-N 2.82Å
59V98.8Very high97.8Very high0 Ų053.6 Ų53.60%031%0.31CS..EExtended strand (participates in β ladder)trans-121.2125.6169-174.60000108.4R57 W68 W80 V87 S88 L89 L90 Q107 W109R57-V59 HydrophobicContact CG-CG2 4.45Å; V59-W68 HydrophobicContact CG1-CH2 4.18Å; V59-W80 HydrophobicContact CG2-CZ2 3.88Å; V59-V87 HydrophobicContact CG2-CG1 3.82Å; V59-S88 PolarHBondContact N-O 3.06Å; V59-L89 HydrophobicContact CB-CD2 3.68Å; V59-L89 HydrophobicContact CG1-CD2 4.15Å; V59-L89 HydrophobicContact CG2-CD2 4.21Å; V59-L89 CarbonylContact O-C 3.59Å; V59-L89 WeakPolarHBondContact O-CA 3.4Å; V59-L90 PolarHBondContact O-N 3.16Å; V59-Q107 WeakPolarHBondContact CA-O 3.31Å; V59-Q107 HydrophobicContact CG1-CB 4.05Å; V59-Q107 HydrophobicContact CG2-CB 4.15Å; V59-W109 HydrophobicContact CG1-CB 4.13Å
60T98.6Very high97.8Very high4 Ų455 Ų553%0.02532%0.32CS..EExtended strand (participates in β ladder)trans-93.2141.7179.251.20000111.2I58 L90 L97 A105 Q107 S108 W109I58-T60 HydrophobicContact CG2-CG2 4.41Å; T60-L90 HydrophobicContact CG2-CB 4.36Å; T60-L90 HydrophobicContact CG2-CD1 4.45Å; T60-L97 HydrophobicContact CG2-CD1 3.56Å; T60-A105 HydrophobicContact CG2-CB 3.5Å; T60-A105 VanDerWaalsContact CG2-CB 3.5Å; T60-Q107 PolarHBondContact N-O 2.97Å; T60-Q107 PolarHBondContact OG1-O 3.2Å; T60-S108 CarbonylContact O-C 3.58Å; T60-S108 WeakPolarHBondContact O-CA 3.32Å; T60-S108 WeakPolarHBondContact OG1-CA 3.39Å; T60-S108 VanDerWaalsContact OG1-CB 3.32Å; T60-S108 WeakPolarHBondContact OG1-CB 3.45Å; T60-S108 PolarHBondContact OG1-OG 3.38Å; T60-S108 VanDerWaalsContact OG1-OG 3.07Å; T60-W109 PolarHBondContact O-N 2.71Å
61L98.3Very high97.7Very high20 Ų2056.6 Ų56.611%0.10533%0.333CS..EExtended strand (participates in β ladder)trans-93.3107.1169-73.5-57.9000107.8L89 L90 I91 W109 L111 V121 V125L61-L89 HydrophobicContact CD2-CB 3.83Å; L61-L90 PolarHBondContact N-O 3.41Å; L61-I91 HydrophobicContact CB-CG1 4.4Å; L61-I91 HydrophobicContact CD2-CG1 4.12Å; L61-I91 HydrophobicContact CG-CG1 4.12Å; L61-W109 WeakPolarHBondContact CA-O 3.4Å; L61-W109 HydrophobicContact CD1-CB 4.18Å; L61-W109 HydrophobicContact CD1-CD2 3.76Å; L61-W109 HydrophobicContact CD1-CE3 3.36Å; L61-W109 HydrophobicContact CD1-CG 4.14Å; L61-W109 HydrophobicContact CD1-CZ3 4.01Å; L61-L111 HydrophobicContact CD1-CD1 4.11Å; L61-L111 HydrophobicContact CD1-CG 4.11Å; L61-V121 HydrophobicContact CG-CG1 4.39Å; L61-V125 HydrophobicContact CD1-CG2 4.07Å; L61-V125 HydrophobicContact CG-CG2 4.31Å
62D96Very high97.7Very high37 Ų3756.4 Ų56.420%0.19832%0.319CS..EExtended strand (participates in β ladder)trans-148.4145.8-175.7-154.4-3.1000111.2P64 G65 K102 W109 S110D62-P64 HydrophobicContact CB-CG 4.41Å; D62-P64 VanDerWaalsContact CG-CD 3.47Å; D62-P64 WeakPolarHBondContact OD1-CD 3.11Å; D62-G65 PolarHBondContact O-N 3.44Å; D62-K102 IonicContact OD1-NZ 2.71Å; D62-K102 VanDerWaalsContact OD2-CE 3.25Å; D62-K102 WeakPolarHBondContact OD2-CE 3.31Å; D62-K102 IonicContact OD2-NZ 3.61Å; D62-K102 PolarHBondContact OD2-NZ 2.94Å; D62-W109 PolarHBondContact N-O 2.7Å; D62-S110 VanDerWaalsContact O-CA 3.28Å; D62-S110 WeakPolarHBondContact O-CA 3.32Å; D62-S110 VanDerWaalsContact O-CB 3.32Å; D62-S110 WeakPolarHBondContact O-CB 3.5Å
63I95.4Very high97.8Very high79 Ų7954.3 Ų54.341%0.40530%0.301SS..EExtended strand (participates in β ladder)trans-56.4-45.6-179.4-61.4173.8000112.8G65 S110I63-G65 PolarHBondContact O-N 3.38Å; I63-S110 VanDerWaalsContact O-CB 3.31Å; I63-S110 WeakPolarHBondContact O-CB 3.41Å; I63-S110 PolarHBondContact O-OG 3.43Å
64P94.7Very high97.8Very high107 Ų10754.5 Ų54.570%0.69530%0.302SS*.EExtended strand (participates in β ladder)trans-74.80.4176.432.9-38.3000113.9D62D62-P64 HydrophobicContact CB-CG 4.41Å; D62-P64 VanDerWaalsContact CG-CD 3.47Å; D62-P64 WeakPolarHBondContact OD1-CD 3.11Å
65G97.7Very high97.8Very high10 Ų1053.7 Ų53.710%0.10329%0.29CS..EExtended strand (participates in β ladder)trans-62.6170.9174.100000112.5D62 I63 P67 S108 S110D62-G65 PolarHBondContact O-N 3.44Å; I63-G65 PolarHBondContact O-N 3.38Å; G65-P67 WeakPolarHBondContact O-CD 3.48Å; G65-S108 CarbonylContact C-O 3.56Å; G65-S108 WeakPolarHBondContact CA-O 3.1Å; G65-S108 WeakPolarHBondContact CA-OG 3.22Å; G65-S110 WeakPolarHBondContact O-CB 3.33Å
66K98.4Very high97.9Very high111 Ų11145 Ų4548%0.48325%0.253SS..EExtended strand (participates in β ladder)trans-71.4127.2177.3-176.1171.1166.6-169.40109.7W68 S108 S110K66-W68 VanDerWaalsContact CD-NE1 3.32Å; K66-W68 PolarHBondContact O-N 3.02Å; K66-S108 PolarHBondContact N-O 2.83Å; K66-S110 PolarHBondContact O-N 3.44Å
67P98.1Very high97.8Very high94 Ų9443.1 Ų43.161%0.6124%0.243SC*.EExtended strand (participates in β ladder)trans-77.3112.1172.130.5-31.9000109G65G65-P67 WeakPolarHBondContact O-CD 3.48Å
68W98.3Very high97.8Very high29 Ų2944.9 Ų44.911%0.1125%0.253CS..  trans-94.3133.8174.3-61.6-32.9000110.6V59 K66 Q72 L73 E76 W80 Q107 W109V59-W68 HydrophobicContact CG1-CH2 4.18Å; K66-W68 VanDerWaalsContact CD-NE1 3.32Å; K66-W68 PolarHBondContact O-N 3.02Å; W68-Q72 HydrophobicContact CB-CB 4.04Å; W68-Q72 HydrophobicContact CG-CB 4.37Å; W68-L73 HydrophobicContact CB-CB 4.46Å; W68-L73 HydrophobicContact CE3-CD1 3.77Å; W68-L73 HydrophobicContact CZ3-CD1 4.08Å; W68-E76 HydrophobicContact CD2-CG 4.14Å; W68-E76 HydrophobicContact CE3-CG 4.29Å; W68-E76 HydrophobicContact CH2-CB 4.49Å; W68-E76 HydrophobicContact CH2-CG 3.98Å; W68-E76 HydrophobicContact CZ2-CG 3.83Å; W68-E76 HydrophobicContact CZ3-CB 4.47Å; W68-E76 HydrophobicContact CZ3-CG 4.2Å; W68-W80 HydrophobicContact CH2-CZ2 4.01Å; W68-W80 HydrophobicContact CZ3-CH2 4.13Å; W68-W80 AromaticContact CZ3-CZ2 3.98Å; W68-W80 HydrophobicContact CZ3-CZ2 3.98Å; W68-Q107 HydrophobicContact CH2-CB 4.44Å; W68-W109 AromaticContact CD2-CD1 3.86Å; W68-W109 HydrophobicContact CD2-CG 4.21Å; W68-W109 HydrophobicContact CE3-CB 3.96Å; W68-W109 AromaticContact CE3-CD1 3.49Å; W68-W109 VanDerWaalsContact CE3-CD1 3.49Å; W68-W109 AromaticContact CE3-CD2 3.79Å; W68-W109 HydrophobicContact CE3-CD2 3.79Å; W68-W109 AromaticContact CE3-CG 3.49Å; W68-W109 HydrophobicContact CE3-CG 3.49Å; W68-W109 VanDerWaalsContact CE3-CG 3.49Å; W68-W109 AromaticContact CE3-NE1 3.84Å; W68-W109 HydrophobicContact CH2-CB 3.99Å; W68-W109 HydrophobicContact CH2-CG 4.41Å; W68-W109 HydrophobicContact CZ3-CB 3.65Å; W68-W109 AromaticContact CZ3-CD2 3.91Å; W68-W109 HydrophobicContact CZ3-CD2 3.91Å; W68-W109 HydrophobicContact CZ3-CE3 4.29Å; W68-W109 AromaticContact CZ3-CG 3.62Å; W68-W109 HydrophobicContact CZ3-CG 3.62Å
69D97.9Very high97.8Very high84 Ų8451 Ų5145%0.44928%0.275SS..  trans-76.3172159.764.328.5000110.9P71 Q72 L73D69-P71 VanDerWaalsContact OD1-CD 3.31Å; D69-P71 WeakPolarHBondContact OD1-CD 3.49Å; D69-Q72 VanDerWaalsContact N-OE1 3.16Å; D69-Q72 PolarHBondContact O-N 3.46Å; D69-Q72 WeakPolarHBondContact OD1-CB 3.48Å; D69-Q72 WeakPolarHBondContact OD1-CG 3.45Å; D69-Q72 PolarHBondContact OD1-N 3.47Å; D69-L73 PolarHBondContact O-N 2.94Å
70T97.6Very high97.7Very high52 Ų5251.7 Ų51.732%0.31928%0.277SS..Hα-helixtrans-61.7-44.5-176.1-440000113.1Q72 L73 A74 R131 I135T70-Q72 VanDerWaalsContact C-N 3.34Å; T70-Q72 PolarHBondContact O-N 3.28Å; T70-L73 PolarHBondContact O-N 3.1Å; T70-A74 PolarHBondContact O-N 3.27Å; T70-R131 HydrophobicContact CG2-CB 4.27Å; T70-R131 HydrophobicContact CG2-CG 3.64Å; T70-I135 HydrophobicContact CG2-CD1 3.57Å
71P97.9Very high97.6Very high84 Ų8455.2 Ų55.255%0.54529%0.293SS..Hα-helixtrans-59.8-38.7173-26.436.1000114D69 A74 A75D69-P71 VanDerWaalsContact OD1-CD 3.31Å; D69-P71 WeakPolarHBondContact OD1-CD 3.49Å; P71-A74 PolarHBondContact O-N 3.27Å; P71-A75 PolarHBondContact O-N 2.89Å
72Q98.5Very high97.5Very high74 Ų7461.5 Ų61.535%0.34633%0.325SS..Hα-helixtrans-65.2-43.1175-73.9171.1-12.100111.6W68 D69 T70 A74 A75 E76W68-Q72 HydrophobicContact CB-CB 4.04Å; W68-Q72 HydrophobicContact CG-CB 4.37Å; D69-Q72 VanDerWaalsContact N-OE1 3.16Å; D69-Q72 PolarHBondContact O-N 3.46Å; D69-Q72 WeakPolarHBondContact OD1-CB 3.48Å; D69-Q72 WeakPolarHBondContact OD1-CG 3.45Å; D69-Q72 PolarHBondContact OD1-N 3.47Å; T70-Q72 VanDerWaalsContact C-N 3.34Å; T70-Q72 PolarHBondContact O-N 3.28Å; Q72-A74 VanDerWaalsContact C-N 3.32Å; Q72-A74 PolarHBondContact O-N 2.96Å; Q72-A75 WeakPolarHBondContact O-CB 3.5Å; Q72-A75 PolarHBondContact O-N 2.92Å; Q72-A75 VanDerWaalsContact O-N 3.16Å; Q72-E76 WeakPolarHBondContact O-CG 3.25Å; Q72-E76 PolarHBondContact O-N 3.16Å
73L98.5Very high97.5Very high4 Ų462.5 Ų62.52%0.02133%0.331CS..Hα-helixtrans-62.7-38.8175.3-179.862.2000111.7W68 D69 T70 A75 E76 L77 W80 W109 S128 L129 A132W68-L73 HydrophobicContact CB-CB 4.46Å; W68-L73 HydrophobicContact CE3-CD1 3.77Å; W68-L73 HydrophobicContact CZ3-CD1 4.08Å; D69-L73 PolarHBondContact O-N 2.94Å; T70-L73 PolarHBondContact O-N 3.1Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 PolarHBondContact O-N 3.36Å; L73-E76 PolarHBondContact O-N 2.89Å; L73-L77 WeakPolarHBondContact O-CB 3.44Å; L73-L77 PolarHBondContact O-N 3.45Å; L73-W80 HydrophobicContact CD1-CH2 4.24Å; L73-W109 HydrophobicContact CD1-CH2 4.21Å; L73-W109 HydrophobicContact CD1-CZ2 4.28Å; L73-W109 HydrophobicContact CD1-CZ3 4.43Å; L73-W109 HydrophobicContact CD2-CH2 3.88Å; L73-W109 HydrophobicContact CD2-CZ2 3.87Å; L73-S128 WeakPolarHBondContact CD2-O 3.49Å; L73-L129 HydrophobicContact CD1-CD2 4.17Å; L73-A132 HydrophobicContact CB-CB 4.13Å; L73-A132 HydrophobicContact CD2-CB 3.85Å; L73-A132 HydrophobicContact CG-CB 3.64Å
74A98.2Very high97.6Very high5 Ų561.9 Ų61.94%0.04134%0.344CS..Hα-helixtrans-62.2-39.3173.500000112T70 P71 Q72 L77 E78 A132 I135 T136T70-A74 PolarHBondContact O-N 3.27Å; P71-A74 PolarHBondContact O-N 3.27Å; Q72-A74 VanDerWaalsContact C-N 3.32Å; Q72-A74 PolarHBondContact O-N 2.96Å; A74-L77 WeakPolarHBondContact O-CB 3.35Å; A74-L77 PolarHBondContact O-N 3.02Å; A74-E78 PolarHBondContact O-N 3.35Å; A74-E78 VanDerWaalsContact O-N 3.1Å; A74-A132 HydrophobicContact CB-CB 4.18Å; A74-I135 HydrophobicContact CB-CB 4.08Å; A74-I135 HydrophobicContact CB-CD1 4.34Å; A74-I135 HydrophobicContact CB-CG2 4.13Å; A74-T136 HydrophobicContact CB-CG2 3.92Å
75A98.4Very high97.7Very high41 Ų4161.3 Ų61.334%0.33933%0.328SS..Hα-helixtrans-67.1-38.5174.200000112.7P71 Q72 L73 L77 E78 R79P71-A75 PolarHBondContact O-N 2.89Å; Q72-A75 WeakPolarHBondContact O-CB 3.5Å; Q72-A75 PolarHBondContact O-N 2.92Å; Q72-A75 VanDerWaalsContact O-N 3.16Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 PolarHBondContact O-N 3.36Å; A75-L77 VanDerWaalsContact C-N 3.34Å; A75-E78 PolarHBondContact O-N 3.47Å; A75-R79 WeakPolarHBondContact O-CG 3.25Å; A75-R79 PolarHBondContact O-N 3.09Å
76E98.4Very high97.7Very high10 Ų1066.2 Ų66.25%0.04735%0.352CS..Hα-helixtrans-64.6-39.5172.8-65.7-50.9137.500111.7W68 Q72 L73 E78 R79 W80 Q107W68-E76 HydrophobicContact CD2-CG 4.14Å; W68-E76 HydrophobicContact CE3-CG 4.29Å; W68-E76 HydrophobicContact CH2-CB 4.49Å; W68-E76 HydrophobicContact CH2-CG 3.98Å; W68-E76 HydrophobicContact CZ2-CG 3.83Å; W68-E76 HydrophobicContact CZ3-CB 4.47Å; W68-E76 HydrophobicContact CZ3-CG 4.2Å; Q72-E76 WeakPolarHBondContact O-CG 3.25Å; Q72-E76 PolarHBondContact O-N 3.16Å; L73-E76 PolarHBondContact O-N 2.89Å; E76-E78 PolarHBondContact O-N 2.81Å; E76-R79 WeakPolarHBondContact O-CB 3.45Å; E76-R79 PolarHBondContact O-N 3.38Å; E76-R79 VanDerWaalsContact O-N 3.14Å; E76-R79 IonicContact OE1-CZ 2.66Å; E76-R79 IonicContact OE1-NE 2.86Å; E76-R79 PolarHBondContact OE1-NE 2.89Å; E76-R79 VanDerWaalsContact OE1-NE 3.08Å; E76-R79 IonicContact OE1-NH2 3.85Å; E76-R79 PolarHBondContact OE1-NH2 3.28Å; E76-R79 IonicContact OE2-NE 3.92Å; E76-R79 PolarHBondContact OE2-NE 3.33Å; E76-W80 HydrophobicContact CB-CH2 4.48Å; E76-W80 HydrophobicContact CB-CZ2 3.99Å; E76-W80 PolarHBondContact O-N 2.76Å; E76-Q107 PolarHBondContact OE2-NE2 3.3Å
77L97.4Very high97.7Very high7 Ų763.1 Ų63.14%0.03734%0.342CS..Hα-helixtrans-60.2-44.5176.1-176.464.7000112.1M20 L73 A74 A75 R79 W80 K81 W133 T136M20-L77 HydrophobicContact CE-CD1 3.29Å; M20-L77 HydrophobicContact CE-CD2 3.99Å; M20-L77 HydrophobicContact CE-CG 4.29Å; M20-L77 HydrophobicContact SD-CD1 3.86Å; M20-L77 HydrophobicContact SD-CD2 3.81Å; M20-L77 HydrophobicContact SD-CG 4.43Å; L73-L77 WeakPolarHBondContact O-CB 3.44Å; L73-L77 PolarHBondContact O-N 3.45Å; A74-L77 WeakPolarHBondContact O-CB 3.35Å; A74-L77 PolarHBondContact O-N 3.02Å; A75-L77 VanDerWaalsContact C-N 3.34Å; L77-R79 VanDerWaalsContact C-N 3.34Å; L77-W80 HydrophobicContact CD1-CE3 4.02Å; L77-W80 HydrophobicContact CD1-CZ3 4.48Å; L77-W80 PolarHBondContact O-N 3.4Å; L77-K81 WeakPolarHBondContact O-CG 3.46Å; L77-K81 PolarHBondContact O-N 3.45Å; L77-W133 HydrophobicContact CD2-CB 3.78Å; L77-T136 HydrophobicContact CD2-CG2 4.45Å
78E97.7Very high97.7Very high76 Ų7659.6 Ų59.636%0.35532%0.319SS..Hα-helixtrans-64.3-38.3174.5-70.4-61.3127.400111.9A74 A75 E76 W80 K81 L82 T136A74-E78 PolarHBondContact O-N 3.35Å; A74-E78 VanDerWaalsContact O-N 3.1Å; A75-E78 PolarHBondContact O-N 3.47Å; E76-E78 PolarHBondContact O-N 2.81Å; E78-W80 VanDerWaalsContact C-N 3.34Å; E78-W80 PolarHBondContact O-N 2.73Å; E78-K81 PolarHBondContact O-N 3.21Å; E78-K81 IonicContact OE1-NZ 2.76Å; E78-L82 WeakPolarHBondContact O-CG 3.41Å; E78-L82 PolarHBondContact O-N 3.07Å; E78-T136 HydrophobicContact CG-CG2 3.75Å; E78-T136 WeakPolarHBondContact OE1-CB 3.45Å; E78-T136 WeakPolarHBondContact OE1-CG2 3.33Å; E78-T136 PolarHBondContact OE1-OG1 3.11Å
79R98.2Very high97.8Very high142 Ų14260 Ų6054%0.53632%0.324SS..Hα-helixtrans-60.7-42.9172.7-75.4-169.8-109-90.20.8112A75 E76 L77 L82 D83A75-R79 WeakPolarHBondContact O-CG 3.25Å; A75-R79 PolarHBondContact O-N 3.09Å; E76-R79 WeakPolarHBondContact O-CB 3.45Å; E76-R79 PolarHBondContact O-N 3.38Å; E76-R79 VanDerWaalsContact O-N 3.14Å; E76-R79 IonicContact OE1-CZ 2.66Å; E76-R79 IonicContact OE1-NE 2.86Å; E76-R79 PolarHBondContact OE1-NE 2.89Å; E76-R79 VanDerWaalsContact OE1-NE 3.08Å; E76-R79 IonicContact OE1-NH2 3.85Å; E76-R79 PolarHBondContact OE1-NH2 3.28Å; E76-R79 IonicContact OE2-NE 3.92Å; E76-R79 PolarHBondContact OE2-NE 3.33Å; L77-R79 VanDerWaalsContact C-N 3.34Å; R79-L82 PolarHBondContact O-N 3.25Å; R79-D83 WeakPolarHBondContact O-CB 3.16Å; R79-D83 PolarHBondContact O-N 3.14Å
80W97.5Very high97.8Very high15 Ų1556.7 Ų56.76%0.05731%0.306CS..Hα-helixtrans-65.2-41.5177.8-61-19.6000111.9V59 W68 L73 E76 L77 E78 L82 D83 G84 V87 L89 L129V59-W80 HydrophobicContact CG2-CZ2 3.88Å; W68-W80 HydrophobicContact CH2-CZ2 4.01Å; W68-W80 HydrophobicContact CZ3-CH2 4.13Å; W68-W80 AromaticContact CZ3-CZ2 3.98Å; W68-W80 HydrophobicContact CZ3-CZ2 3.98Å; L73-W80 HydrophobicContact CD1-CH2 4.24Å; E76-W80 HydrophobicContact CB-CH2 4.48Å; E76-W80 HydrophobicContact CB-CZ2 3.99Å; E76-W80 PolarHBondContact O-N 2.76Å; L77-W80 HydrophobicContact CD1-CE3 4.02Å; L77-W80 HydrophobicContact CD1-CZ3 4.48Å; L77-W80 PolarHBondContact O-N 3.4Å; E78-W80 VanDerWaalsContact C-N 3.34Å; E78-W80 PolarHBondContact O-N 2.73Å; W80-L82 VanDerWaalsContact C-N 3.31Å; W80-L82 PolarHBondContact O-N 2.76Å; W80-D83 WeakPolarHBondContact O-CB 3.38Å; W80-D83 PolarHBondContact O-N 3.05Å; W80-G84 PolarHBondContact O-N 2.86Å; W80-V87 HydrophobicContact CB-CG2 3.64Å; W80-V87 HydrophobicContact CD2-CG1 4.21Å; W80-V87 HydrophobicContact CD2-CG2 3.86Å; W80-V87 HydrophobicContact CE3-CG1 4.32Å; W80-V87 HydrophobicContact CE3-CG2 4.13Å; W80-V87 HydrophobicContact CG-CG2 3.63Å; W80-L89 HydrophobicContact CH2-CD2 4.32Å; W80-L129 HydrophobicContact CZ3-CD2 3.98Å
81K95.7Very high97.8Very high79 Ų7956.1 Ų56.134%0.34330%0.301SS..Hα-helixtrans-59.1-41.8173.8-74.9-177.8175.7-170.90112.2D19 L77 E78 G84D19-K81 IonicContact OD2-NZ 3.15Å; L77-K81 WeakPolarHBondContact O-CG 3.46Å; L77-K81 PolarHBondContact O-N 3.45Å; E78-K81 PolarHBondContact O-N 3.21Å; E78-K81 IonicContact OE1-NZ 2.76Å; K81-G84 PolarHBondContact O-N 3.08Å
82L97Very high97.6Very high152 Ų15252.7 Ų52.780%0.79628%0.28SS*.Hα-helixtrans-70.7-31.9178-70.7173000113.4E78 R79 W80 G84E78-L82 WeakPolarHBondContact O-CG 3.41Å; E78-L82 PolarHBondContact O-N 3.07Å; R79-L82 PolarHBondContact O-N 3.25Å; W80-L82 VanDerWaalsContact C-N 3.31Å; W80-L82 PolarHBondContact O-N 2.76Å; L82-G84 VanDerWaalsContact C-N 3.27Å; L82-G84 PolarHBondContact O-N 3.14Å
83D96.8Very high97.3Very high57 Ų5750.2 Ų50.231%0.30528%0.275SS..Hα-helixtrans-65.2-31.8175.9-176.9-73000111.7R57 R79 W80 R85R57-D83 IonicContact CZ-OD2 3.23Å; R57-D83 IonicContact NE-OD2 3.2Å; R57-D83 PolarHBondContact NE-OD2 3.07Å; R57-D83 IonicContact NH2-OD2 2.73Å; R57-D83 PolarHBondContact NH2-OD2 3.39Å; R79-D83 WeakPolarHBondContact O-CB 3.16Å; R79-D83 PolarHBondContact O-N 3.14Å; W80-D83 WeakPolarHBondContact O-CB 3.38Å; W80-D83 PolarHBondContact O-N 3.05Å; D83-R85 PolarHBondContact O-N 3.47Å; D83-R85 VanDerWaalsContact OD1-CB 3.31Å; D83-R85 WeakPolarHBondContact OD1-CB 3.42Å; D83-R85 VanDerWaalsContact OD1-CG 3.31Å; D83-R85 WeakPolarHBondContact OD1-CG 3.4Å; D83-R85 IonicContact OD1-CZ 3.21Å; D83-R85 PolarHBondContact OD1-N 3.42Å; D83-R85 IonicContact OD1-NE 3.44Å; D83-R85 PolarHBondContact OD1-NE 3.34Å; D83-R85 IonicContact OD1-NH2 3.2Å; D83-R85 PolarHBondContact OD1-NH2 2.99Å; D83-R85 IonicContact OD2-CZ 3.25Å; D83-R85 IonicContact OD2-NE 3.65Å; D83-R85 IonicContact OD2-NH2 2.75Å; D83-R85 PolarHBondContact OD2-NH2 3.26Å
84G96Very high96.9Very high66 Ų6654.9 Ų54.968%0.6831%0.305SS*.  trans76.4-5.8172.300000115W80 K81 L82W80-G84 PolarHBondContact O-N 2.86Å; K81-G84 PolarHBondContact O-N 3.08Å; L82-G84 VanDerWaalsContact C-N 3.27Å; L82-G84 PolarHBondContact O-N 3.14Å
85R97.3Very high96.6Very high95 Ų9557.9 Ų57.936%0.35832%0.318SS..SBendtrans-80.3150.2165.5-63.1179.4-72.9157.41.2110.1D83 E106D83-R85 PolarHBondContact O-N 3.47Å; D83-R85 VanDerWaalsContact OD1-CB 3.31Å; D83-R85 WeakPolarHBondContact OD1-CB 3.42Å; D83-R85 VanDerWaalsContact OD1-CG 3.31Å; D83-R85 WeakPolarHBondContact OD1-CG 3.4Å; D83-R85 IonicContact OD1-CZ 3.21Å; D83-R85 PolarHBondContact OD1-N 3.42Å; D83-R85 IonicContact OD1-NE 3.44Å; D83-R85 PolarHBondContact OD1-NE 3.34Å; D83-R85 IonicContact OD1-NH2 3.2Å; D83-R85 PolarHBondContact OD1-NH2 2.99Å; D83-R85 IonicContact OD2-CZ 3.25Å; D83-R85 IonicContact OD2-NE 3.65Å; D83-R85 IonicContact OD2-NH2 2.75Å; D83-R85 PolarHBondContact OD2-NH2 3.26Å; R85-E106 IonicContact CZ-OE1 3.08Å; R85-E106 IonicContact CZ-OE2 2.76Å; R85-E106 IonicContact NH1-OE1 3.37Å; R85-E106 PolarHBondContact NH1-OE1 3.41Å; R85-E106 IonicContact NH1-OE2 3.87Å; R85-E106 IonicContact NH2-OE1 3.2Å; R85-E106 PolarHBondContact NH2-OE1 3.48Å; R85-E106 IonicContact NH2-OE2 3.52Å; R85-E106 PolarHBondContact NH2-OE2 3.19Å
86D98Very high96.4Very high114 Ų11457.2 Ų57.261%0.6132%0.315SS*.  trans-61.9157163.8-65.7-35.9000110.4N56 R57N56-D86 CarbonylContact C-O 3.3Å; N56-D86 VanDerWaalsContact CA-O 3.28Å; N56-D86 WeakPolarHBondContact CA-O 3.35Å; N56-D86 HydrophobicContact CB-CB 4.36Å; N56-D86 VanDerWaalsContact CB-O 3.24Å; N56-D86 WeakPolarHBondContact CB-O 3.49Å; R57-D86 PolarHBondContact N-O 3.25Å
87V98.5Very high96.3Very high45 Ų4557.3 Ų57.327%0.27332%0.316SS..EExtended strand (participates in β ladder)trans-116.5125.3-179.5-174.20000110.3R57 V59 W80 L89R57-V87 HydrophobicContact CB-CG2 4.35Å; R57-V87 CarbonylContact O-C 3.55Å; R57-V87 WeakPolarHBondContact O-CA 3.38Å; V59-V87 HydrophobicContact CG2-CG1 3.82Å; W80-V87 HydrophobicContact CB-CG2 3.64Å; W80-V87 HydrophobicContact CD2-CG1 4.21Å; W80-V87 HydrophobicContact CD2-CG2 3.86Å; W80-V87 HydrophobicContact CE3-CG1 4.32Å; W80-V87 HydrophobicContact CE3-CG2 4.13Å; W80-V87 HydrophobicContact CG-CG2 3.63Å; V87-L89 HydrophobicContact CG1-CD2 4Å
88S98.7Very high96.3Very high20 Ų2057.1 Ų57.114%0.1432%0.315CS..EExtended strand (participates in β ladder)trans-102.7113.5174.5-69.90000110.5A53 N56 R57 V59A53-S88 WeakPolarHBondContact CA-OG 3.28Å; N56-S88 WeakPolarHBondContact CB-OG 3.46Å; N56-S88 PolarHBondContact ND2-OG 2.86Å; R57-S88 PolarHBondContact O-N 3.08Å; V59-S88 PolarHBondContact N-O 3.06Å
89L98.7Very high96.3Very high39 Ų3957.8 Ų57.820%0.20433%0.326CS..EExtended strand (participates in β ladder)trans-90.2104.4175.2-61.5-174.3000109.9V59 L61 W80 V87 V125 L129V59-L89 HydrophobicContact CB-CD2 3.68Å; V59-L89 HydrophobicContact CG1-CD2 4.15Å; V59-L89 HydrophobicContact CG2-CD2 4.21Å; V59-L89 CarbonylContact O-C 3.59Å; V59-L89 WeakPolarHBondContact O-CA 3.4Å; L61-L89 HydrophobicContact CD2-CB 3.83Å; W80-L89 HydrophobicContact CH2-CD2 4.32Å; V87-L89 HydrophobicContact CG1-CD2 4Å; L89-V125 HydrophobicContact CD1-CG1 3.61Å; L89-L129 HydrophobicContact CD1-CD1 3.62Å
90L98.5Very high96.3Very high13 Ų1353.6 Ų53.67%0.06832%0.322CS..EExtended strand (participates in β ladder)trans-88.2117.8-175.2-54.7-172000111.4M49 I58 V59 T60 L61 L97 C101M49-L90 HydrophobicContact CB-CD2 4.35Å; I58-L90 HydrophobicContact CG2-CD1 3.57Å; I58-L90 HydrophobicContact CG2-CG 3.94Å; V59-L90 PolarHBondContact O-N 3.16Å; T60-L90 HydrophobicContact CG2-CB 4.36Å; T60-L90 HydrophobicContact CG2-CD1 4.45Å; L61-L90 PolarHBondContact N-O 3.41Å; L90-L97 HydrophobicContact CB-CD1 4.33Å; L90-L97 HydrophobicContact CB-CD2 3.91Å; L90-C101 HydrophobicContact CD1-CB 3.98Å
91I97.5Very high96.3Very high41 Ų4152.9 Ų52.921%0.2132%0.319CS..EExtended strand (participates in β ladder)trans-105.7116.9176.1-58.2167.4000108.6M49 L61 H118 V121 R122M49-I91 VanDerWaalsContact CE-O 3.25Å; M49-I91 WeakPolarHBondContact CE-O 3.47Å; L61-I91 HydrophobicContact CB-CG1 4.4Å; L61-I91 HydrophobicContact CD2-CG1 4.12Å; L61-I91 HydrophobicContact CG-CG1 4.12Å; I91-H118 HydrophobicContact CG2-CB 3.94Å; I91-V121 HydrophobicContact CB-CG1 4.49Å; I91-V121 HydrophobicContact CD1-CG1 3.74Å; I91-V121 HydrophobicContact CG1-CG1 3.81Å; I91-V121 HydrophobicContact CG2-CB 4.26Å; I91-V121 HydrophobicContact CG2-CG1 3.86Å; I91-R122 HydrophobicContact CD1-CG 4.08Å
92G95Very high96.5Very high12 Ų1253.5 Ų53.512%0.12432%0.322CS..  trans-69.7158.7178.200000113.9
93G92.1Very high96.5Very high22 Ų2250.5 Ų50.523%0.22732%0.319CS..BIsolated β-bridgetrans-74.7-166.1169.700000112.4E95 G96G93-E95 PolarHBondContact O-N 2.97Å; G93-E95 VanDerWaalsContact O-N 3.12Å; G93-G96 PolarHBondContact N-O 2.88Å; G93-G96 PolarHBondContact O-N 3.25Å
94P89.4Confident96.6Very high102 Ų10249.9 Ų49.966%0.66232%0.322SS*.THydrogen-bonded Turntrans-55-30178.3-2433.6000114.2
95E91.8Very high96.7Very high68 Ų6848 Ų4832%0.31830%0.299SS..THydrogen-bonded Turntrans-95.44.5179.9-54.882.6-175.400113.4R32 I38 L42 G93R32-E95 WeakPolarHBondContact CG-OE1 3.34Å; R32-E95 IonicContact CZ-OE2 3.39Å; R32-E95 IonicContact NE-OE1 3.29Å; R32-E95 PolarHBondContact NE-OE1 2.97Å; R32-E95 IonicContact NE-OE2 3.09Å; R32-E95 PolarHBondContact NE-OE2 2.83Å; R32-E95 VanDerWaalsContact NE-OE2 3.09Å; R32-E95 IonicContact NH2-OE2 2.85Å; R32-E95 PolarHBondContact NH2-OE2 3.06Å; I38-E95 HydrophobicContact CG2-CB 4.15Å; I38-E95 HydrophobicContact CG2-CG 3.73Å; L42-E95 HydrophobicContact CD1-CB 3.94Å; L42-E95 HydrophobicContact CD2-CB 3.94Å; L42-E95 HydrophobicContact CG-CB 4.14Å; G93-E95 PolarHBondContact O-N 2.97Å; G93-E95 VanDerWaalsContact O-N 3.12Å
96G93.8Very high96.7Very high26 Ų2647.6 Ų47.627%0.26830%0.302SS..BIsolated β-bridgetrans86.7-157-179.500000113.8L42 G93L42-G96 WeakPolarHBondContact CD2-O 3.49Å; G93-G96 PolarHBondContact N-O 2.88Å; G93-G96 PolarHBondContact O-N 3.25Å
97L96.9Very high96.8Very high12 Ų1244.1 Ų44.16%0.06328%0.282CS..  trans-95.5146.7178.9-69.9166.4000111M49 T60 L90 C101 K102M49-L97 HydrophobicContact CE-CD2 4.32Å; M49-L97 HydrophobicContact SD-CD2 3.62Å; T60-L97 HydrophobicContact CG2-CD1 3.56Å; L90-L97 HydrophobicContact CB-CD1 4.33Å; L90-L97 HydrophobicContact CB-CD2 3.91Å; L97-C101 HydrophobicContact CB-CB 4.22Å; L97-C101 HydrophobicContact CD2-CB 4.31Å; L97-K102 HydrophobicContact CB-CG 4.09Å; L97-K102 WeakPolarHBondContact O-CE 3.39Å
98S97.4Very high96.8Very high3 Ų343.7 Ų43.72%0.02128%0.281CS..  trans-61.6154.7173.880.50000111.4L42 A100 C101 K102L42-S98 WeakPolarHBondContact O-CB 3.49Å; S98-A100 PolarHBondContact O-N 3.07Å; S98-A100 PolarHBondContact OG-N 3.39Å; S98-C101 PolarHBondContact O-N 2.79Å; S98-C101 VanDerWaalsContact O-N 3.15Å; S98-C101 PolarHBondContact OG-N 3.43Å; S98-C101 PolarHBondContact OG-SG 2.75Å; S98-C101 VanDerWaalsContact OG-SG 3.41Å; S98-K102 PolarHBondContact O-N 3.2Å; S98-K102 VanDerWaalsContact O-N 3.14Å
99P97.6Very high96.8Very high91 Ų9143.1 Ų43.159%0.59128%0.276SS*.Hα-helixtrans-55.6-35.4174.4-26.535.5000113.2K102 A103P99-K102 PolarHBondContact O-N 2.95Å; P99-A103 WeakPolarHBondContact O-CB 3.28Å; P99-A103 PolarHBondContact O-N 2.98Å
100A98.2Very high96.7Very high53 Ų5341.7 Ų41.744%0.43827%0.269SS..Hα-helixtrans-65.6-42.1177.900000112.2L50 S98 K102 A103 A104L50-A100 HydrophobicContact CD1-CB 4.02Å; S98-A100 PolarHBondContact O-N 3.07Å; S98-A100 PolarHBondContact OG-N 3.39Å; A100-K102 VanDerWaalsContact C-N 3.35Å; A100-K102 PolarHBondContact O-N 3.12Å; A100-A103 PolarHBondContact O-N 2.87Å; A100-A104 WeakPolarHBondContact O-CB 3.48Å; A100-A104 PolarHBondContact O-N 2.94Å
101C98.4Very high96.7Very high0 Ų043.5 Ų43.50%028%0.279CS..Hα-helixtrans-62.6-42174.7-69.80000112.1G46 L90 L97 S98 A104 A105G46-C101 WeakPolarHBondContact CA-SG 3.24Å; L90-C101 HydrophobicContact CD1-CB 3.98Å; L97-C101 HydrophobicContact CB-CB 4.22Å; L97-C101 HydrophobicContact CD2-CB 4.31Å; S98-C101 PolarHBondContact O-N 2.79Å; S98-C101 VanDerWaalsContact O-N 3.15Å; S98-C101 PolarHBondContact OG-N 3.43Å; S98-C101 PolarHBondContact OG-SG 2.75Å; S98-C101 VanDerWaalsContact OG-SG 3.41Å; C101-A104 PolarHBondContact O-N 3.2Å; C101-A105 PolarHBondContact O-N 2.9Å
102K98.1Very high96.7Very high92 Ų9243.4 Ų43.440%0.428%0.282SS..Hα-helixtrans-65.2-40.8177-64.9-172.9-175.2-153.10111.8D62 L97 S98 P99 A100 A105D62-K102 IonicContact OD1-NZ 2.71Å; D62-K102 VanDerWaalsContact OD2-CE 3.25Å; D62-K102 WeakPolarHBondContact OD2-CE 3.31Å; D62-K102 IonicContact OD2-NZ 3.61Å; D62-K102 PolarHBondContact OD2-NZ 2.94Å; L97-K102 HydrophobicContact CB-CG 4.09Å; L97-K102 WeakPolarHBondContact O-CE 3.39Å; S98-K102 PolarHBondContact O-N 3.2Å; S98-K102 VanDerWaalsContact O-N 3.14Å; P99-K102 PolarHBondContact O-N 2.95Å; A100-K102 VanDerWaalsContact C-N 3.35Å; A100-K102 PolarHBondContact O-N 3.12Å; K102-A105 WeakPolarHBondContact O-CB 3.11Å; K102-A105 PolarHBondContact O-N 3.32Å
103A98.1Very high96.8Very high89 Ų8947.4 Ų47.474%0.73631%0.313SS*.Hα-helixtrans-69.1-31.2178.400000113.3P99 A100 A105P99-A103 WeakPolarHBondContact O-CB 3.28Å; P99-A103 PolarHBondContact O-N 2.98Å; A100-A103 PolarHBondContact O-N 2.87Å; A103-A105 VanDerWaalsContact C-N 3.28Å
104A98.2Very high97.1Very high44 Ų4452 Ų5236%0.36433%0.332SS..Hα-helixtrans-79-10.8176.800000113.6L50 I58 A100 C101L50-A104 HydrophobicContact CD2-CB 3.69Å; I58-A104 HydrophobicContact CD1-CB 3.84Å; A100-A104 WeakPolarHBondContact O-CB 3.48Å; A100-A104 PolarHBondContact O-N 2.94Å; C101-A104 PolarHBondContact O-N 3.2Å
105A98.3Very high97.3Very high26 Ų2653 Ų5322%0.21534%0.337CS..  trans-73.8128.6-176.100000111.9I58 T60 C101 K102 A103I58-A105 HydrophobicContact CG2-CB 4.09Å; T60-A105 HydrophobicContact CG2-CB 3.5Å; T60-A105 VanDerWaalsContact CG2-CB 3.5Å; C101-A105 PolarHBondContact O-N 2.9Å; K102-A105 WeakPolarHBondContact O-CB 3.11Å; K102-A105 PolarHBondContact O-N 3.32Å; A103-A105 VanDerWaalsContact C-N 3.28Å
106E98.5Very high97.5Very high87 Ų8752 Ų5241%0.40733%0.333SS..SBendtrans-80.6-26171-69.6177.5-120.100111.3R57 I58 R85R57-E106 IonicContact CZ-OE2 3.86Å; R57-E106 IonicContact NE-OE2 2.97Å; R57-E106 IonicContact NH1-OE2 3.33Å; R57-E106 PolarHBondContact NH1-OE2 3.45Å; R57-E106 IonicContact NH2-OE2 2.81Å; R57-E106 PolarHBondContact NH2-OE2 2.91Å; I58-E106 PolarHBondContact O-N 2.83Å; R85-E106 IonicContact CZ-OE1 3.08Å; R85-E106 IonicContact CZ-OE2 2.76Å; R85-E106 IonicContact NH1-OE1 3.37Å; R85-E106 PolarHBondContact NH1-OE1 3.41Å; R85-E106 IonicContact NH1-OE2 3.87Å; R85-E106 IonicContact NH2-OE1 3.2Å; R85-E106 PolarHBondContact NH2-OE1 3.48Å; R85-E106 IonicContact NH2-OE2 3.52Å; R85-E106 PolarHBondContact NH2-OE2 3.19Å
107Q98.4Very high97.5Very high41 Ų4154.6 Ų54.619%0.19235%0.345CS..EExtended strand (participates in β ladder)trans-142.3156.4177.2-60.5175-7900110.5I58 V59 T60 W68 E76I58-Q107 PolarHBondContact O-N 2.82Å; V59-Q107 WeakPolarHBondContact CA-O 3.31Å; V59-Q107 HydrophobicContact CG1-CB 4.05Å; V59-Q107 HydrophobicContact CG2-CB 4.15Å; T60-Q107 PolarHBondContact N-O 2.97Å; T60-Q107 PolarHBondContact OG1-O 3.2Å; W68-Q107 HydrophobicContact CH2-CB 4.44Å; E76-Q107 PolarHBondContact OE2-NE2 3.3Å
108S98.5Very high97.3Very high37 Ų3757.3 Ų57.326%0.25936%0.358SS..EExtended strand (participates in β ladder)trans-130.6127.1171.2-170.40000108.9T60 G65 K66T60-S108 CarbonylContact O-C 3.58Å; T60-S108 WeakPolarHBondContact O-CA 3.32Å; T60-S108 WeakPolarHBondContact OG1-CA 3.39Å; T60-S108 VanDerWaalsContact OG1-CB 3.32Å; T60-S108 WeakPolarHBondContact OG1-CB 3.45Å; T60-S108 PolarHBondContact OG1-OG 3.38Å; T60-S108 VanDerWaalsContact OG1-OG 3.07Å; G65-S108 CarbonylContact C-O 3.56Å; G65-S108 WeakPolarHBondContact CA-O 3.1Å; G65-S108 WeakPolarHBondContact CA-OG 3.22Å; K66-S108 PolarHBondContact N-O 2.83Å
109W98.6Very high97.1Very high7 Ų758.1 Ų58.13%0.02736%0.363CS..EExtended strand (participates in β ladder)trans-113124.8-176.3175.226.2000109.8V59 T60 L61 D62 W68 L73 L111 V125V59-W109 HydrophobicContact CG1-CB 4.13Å; T60-W109 PolarHBondContact O-N 2.71Å; L61-W109 WeakPolarHBondContact CA-O 3.4Å; L61-W109 HydrophobicContact CD1-CB 4.18Å; L61-W109 HydrophobicContact CD1-CD2 3.76Å; L61-W109 HydrophobicContact CD1-CE3 3.36Å; L61-W109 HydrophobicContact CD1-CG 4.14Å; L61-W109 HydrophobicContact CD1-CZ3 4.01Å; D62-W109 PolarHBondContact N-O 2.7Å; W68-W109 AromaticContact CD2-CD1 3.86Å; W68-W109 HydrophobicContact CD2-CG 4.21Å; W68-W109 HydrophobicContact CE3-CB 3.96Å; W68-W109 AromaticContact CE3-CD1 3.49Å; W68-W109 VanDerWaalsContact CE3-CD1 3.49Å; W68-W109 AromaticContact CE3-CD2 3.79Å; W68-W109 HydrophobicContact CE3-CD2 3.79Å; W68-W109 AromaticContact CE3-CG 3.49Å; W68-W109 HydrophobicContact CE3-CG 3.49Å; W68-W109 VanDerWaalsContact CE3-CG 3.49Å; W68-W109 AromaticContact CE3-NE1 3.84Å; W68-W109 HydrophobicContact CH2-CB 3.99Å; W68-W109 HydrophobicContact CH2-CG 4.41Å; W68-W109 HydrophobicContact CZ3-CB 3.65Å; W68-W109 AromaticContact CZ3-CD2 3.91Å; W68-W109 HydrophobicContact CZ3-CD2 3.91Å; W68-W109 HydrophobicContact CZ3-CE3 4.29Å; W68-W109 AromaticContact CZ3-CG 3.62Å; W68-W109 HydrophobicContact CZ3-CG 3.62Å; L73-W109 HydrophobicContact CD1-CH2 4.21Å; L73-W109 HydrophobicContact CD1-CZ2 4.28Å; L73-W109 HydrophobicContact CD1-CZ3 4.43Å; L73-W109 HydrophobicContact CD2-CH2 3.88Å; L73-W109 HydrophobicContact CD2-CZ2 3.87Å; W109-L111 HydrophobicContact CD2-CD2 4.2Å; W109-L111 HydrophobicContact CH2-CD2 3.67Å; W109-L111 HydrophobicContact CZ2-CD2 3.23Å; W109-L111 HydrophobicContact CZ2-CG 4.45Å; W109-L111 HydrophobicContact CZ3-CD2 4.3Å; W109-V125 HydrophobicContact CH2-CG2 4.27Å; W109-V125 HydrophobicContact CZ3-CG1 4.16Å; W109-V125 HydrophobicContact CZ3-CG2 3.99Å
110S98.4Very high97Very high9 Ų956.3 Ų56.36%0.06335%0.348CS..EExtended strand (participates in β ladder)trans-99.2122.5172-1770000110.3D62 I63 G65 K66 S112D62-S110 VanDerWaalsContact O-CA 3.28Å; D62-S110 WeakPolarHBondContact O-CA 3.32Å; D62-S110 VanDerWaalsContact O-CB 3.32Å; D62-S110 WeakPolarHBondContact O-CB 3.5Å; I63-S110 VanDerWaalsContact O-CB 3.31Å; I63-S110 WeakPolarHBondContact O-CB 3.41Å; I63-S110 PolarHBondContact O-OG 3.43Å; G65-S110 WeakPolarHBondContact O-CB 3.33Å; K66-S110 PolarHBondContact O-N 3.44Å; S110-S112 PolarHBondContact OG-O 3.38Å
111L98.2Very high97Very high51 Ų5154.4 Ų54.427%0.26733%0.33SS..SBendtrans-80.8-24.5175.5-68.9168.6000112.4L61 W109 L116 V121 V125L61-L111 HydrophobicContact CD1-CD1 4.11Å; L61-L111 HydrophobicContact CD1-CG 4.11Å; W109-L111 HydrophobicContact CD2-CD2 4.2Å; W109-L111 HydrophobicContact CH2-CD2 3.67Å; W109-L111 HydrophobicContact CZ2-CD2 3.23Å; W109-L111 HydrophobicContact CZ2-CG 4.45Å; W109-L111 HydrophobicContact CZ3-CD2 4.3Å; L111-L116 HydrophobicContact CB-CD1 3.91Å; L111-L116 HydrophobicContact CD1-CD1 4.5Å; L111-V121 HydrophobicContact CD1-CB 4.34Å; L111-V121 HydrophobicContact CD1-CG1 3.7Å; L111-V121 HydrophobicContact CD1-CG2 4.27Å; L111-V125 HydrophobicContact CD1-CG2 3.88Å; L111-V125 HydrophobicContact CD2-CG2 4.3Å
112S97.3Very high96.8Very high40 Ų4056.2 Ų56.228%0.2834%0.337SS..  trans-170.9157.8-177.4-171.20000109.9S110 L114S110-S112 PolarHBondContact OG-O 3.38Å; S112-L114 PolarHBondContact O-N 3.01Å; S112-L114 WeakPolarHBondContact OG-CB 3.41Å; S112-L114 PolarHBondContact OG-N 3.45Å; S112-L114 VanDerWaalsContact OG-N 3.07Å
113A97Very high96.8Very high95 Ų9552.8 Ų52.879%0.78532%0.324SS*.SBendtrans-69.2-13.7163.200000112.7
114L97.1Very high96.8Very high120 Ų12051.5 Ų51.563%0.62830%0.304SS*.SBendtrans-81.1146.9176.8-59.5176.3000111.5S112 L116S112-L114 PolarHBondContact O-N 3.01Å; S112-L114 WeakPolarHBondContact OG-CB 3.41Å; S112-L114 PolarHBondContact OG-N 3.45Å; S112-L114 VanDerWaalsContact OG-N 3.07Å; L114-L116 HydrophobicContact CB-CD2 4.36Å; L114-L116 PolarHBondContact O-N 3Å
115T95.2Very high96.8Very high123 Ų12349.5 Ų49.576%0.75529%0.288SS*.  trans-71.4110.1165.8-54.20000109.5
116L95.5Very high96.7Very high45 Ų4548.3 Ų48.324%0.23628%0.278CS..  trans-97.9130.9178.3-60175.1000110.2L111 L114 H118 L120 V121 L124L111-L116 HydrophobicContact CB-CD1 3.91Å; L111-L116 HydrophobicContact CD1-CD1 4.5Å; L114-L116 HydrophobicContact CB-CD2 4.36Å; L114-L116 PolarHBondContact O-N 3Å; L116-H118 PolarHBondContact O-N 2.66Å; L116-L120 HydrophobicContact CD2-CD2 4.17Å; L116-V121 HydrophobicContact CB-CG2 3.73Å; L116-L124 HydrophobicContact CD1-CD1 3.69Å
117P93.8Very high96.7Very high81 Ų8145.5 Ų45.553%0.52627%0.265SS..  trans-57.8136.2173-25.335.3000111.1P119 L120 V121P117-P119 WeakPolarHBondContact O-CD 3.42Å; P117-L120 WeakPolarHBondContact O-CB 3.35Å; P117-L120 PolarHBondContact O-N 2.76Å; P117-V121 PolarHBondContact O-N 2.86Å; P117-V121 VanDerWaalsContact O-N 3.09Å
118H92.6Very high96.7Very high70 Ų7045 Ų4532%0.32427%0.265SS..Hα-helixtrans-49.4-32.4177.971.4-90.9000114.9I91 L116 R122I91-H118 HydrophobicContact CG2-CB 3.94Å; L116-H118 PolarHBondContact O-N 2.66Å; H118-R122 PolarHBondContact O-N 2.74Å
119P93.3Very high96.7Very high19 Ų1943.4 Ų43.412%0.12325%0.254CS..Hα-helixtrans-60.1-47.5172.1-28.642.2000112.8M1 V5 P117 V121 R122M1-P119 HydrophobicContact CE-CB 4.05Å; M1-P119 HydrophobicContact CE-CG 3.87Å; M1-P119 HydrophobicContact SD-CB 3.35Å; M1-P119 WeakPolarHBondContact SD-CB 3.31Å; M1-P119 HydrophobicContact SD-CG 3.4Å; M1-P119 WeakPolarHBondContact SD-CG 3.14Å; V5-P119 HydrophobicContact CB-CB 4.38Å; V5-P119 HydrophobicContact CG1-CB 3.76Å; V5-P119 WeakPolarHBondContact CG1-O 3.31Å; V5-P119 HydrophobicContact CG2-CB 3.9Å; P117-P119 WeakPolarHBondContact O-CD 3.42Å; P119-V121 VanDerWaalsContact C-N 3.35Å; P119-R122 WeakPolarHBondContact O-CB 3.25Å; P119-R122 PolarHBondContact O-N 3.48Å
120L95.6Very high96.6Very high54 Ų5443.9 Ų43.928%0.28326%0.256SS..Hα-helixtrans-68.5-37.2-178.2178.360.1000111.2W4 L116 P117 R122 V123 L124W4-L120 HydrophobicContact CH2-CD1 4.29Å; L116-L120 HydrophobicContact CD2-CD2 4.17Å; P117-L120 WeakPolarHBondContact O-CB 3.35Å; P117-L120 PolarHBondContact O-N 2.76Å; L120-R122 PolarHBondContact O-N 3.27Å; L120-V123 PolarHBondContact O-N 3.32Å; L120-V123 VanDerWaalsContact O-N 3.14Å; L120-L124 HydrophobicContact CD1-CD1 4.34Å; L120-L124 HydrophobicContact CD1-CG 4.25Å; L120-L124 HydrophobicContact CD2-CD1 4.42Å; L120-L124 HydrophobicContact CG-CD1 3.89Å; L120-L124 HydrophobicContact CG-CG 4.28Å; L120-L124 WeakPolarHBondContact O-CG 3.33Å; L120-L124 PolarHBondContact O-N 2.98Å
121V97Very high96.6Very high12 Ų1245.9 Ų45.97%0.07326%0.262CS..Hα-helixtrans-54-41.4174.9172.60000111.2L61 I91 L111 L116 P117 P119 V123 L124 V125L61-V121 HydrophobicContact CG-CG1 4.39Å; I91-V121 HydrophobicContact CB-CG1 4.49Å; I91-V121 HydrophobicContact CD1-CG1 3.74Å; I91-V121 HydrophobicContact CG1-CG1 3.81Å; I91-V121 HydrophobicContact CG2-CB 4.26Å; I91-V121 HydrophobicContact CG2-CG1 3.86Å; L111-V121 HydrophobicContact CD1-CB 4.34Å; L111-V121 HydrophobicContact CD1-CG1 3.7Å; L111-V121 HydrophobicContact CD1-CG2 4.27Å; L116-V121 HydrophobicContact CB-CG2 3.73Å; P117-V121 PolarHBondContact O-N 2.86Å; P117-V121 VanDerWaalsContact O-N 3.09Å; P119-V121 VanDerWaalsContact C-N 3.35Å; V121-V123 PolarHBondContact O-N 3.33Å; V121-L124 PolarHBondContact O-N 3.47Å; V121-V125 HydrophobicContact CG1-CG2 4.05Å; V121-V125 WeakPolarHBondContact O-CB 3.42Å; V121-V125 VanDerWaalsContact O-CG2 3.25Å; V121-V125 WeakPolarHBondContact O-CG2 3.25Å; V121-V125 PolarHBondContact O-N 3.29Å
122R95.4Very high96.6Very high38 Ų3843.4 Ų43.414%0.14325%0.249CC..Hα-helixtrans-58.4-46.6178-64.6172.1-177.7-170.8-0.9112.1F9 L24 E26 I91 H118 P119 L120 A126F9-R122 HydrophobicContact CD2-CB 3.94Å; F9-R122 WeakPolarHBondContact CD2-O 3.33Å; F9-R122 HydrophobicContact CE2-CB 4.36Å; L24-R122 HydrophobicContact CD1-CG 4.41Å; E26-R122 IonicContact OE1-CZ 3.26Å; E26-R122 VanDerWaalsContact OE1-CZ 3.23Å; E26-R122 IonicContact OE1-NH1 2.97Å; E26-R122 PolarHBondContact OE1-NH1 2.89Å; E26-R122 IonicContact OE1-NH2 3.67Å; E26-R122 PolarHBondContact OE1-NH2 2.92Å; I91-R122 HydrophobicContact CD1-CG 4.08Å; H118-R122 PolarHBondContact O-N 2.74Å; P119-R122 WeakPolarHBondContact O-CB 3.25Å; P119-R122 PolarHBondContact O-N 3.48Å; L120-R122 PolarHBondContact O-N 3.27Å; R122-A126 WeakPolarHBondContact O-CB 3.46Å; R122-A126 PolarHBondContact O-N 3.09Å; R122-A126 VanDerWaalsContact O-N 3.08Å
123V97.3Very high96.6Very high20 Ų2042.7 Ų42.712%0.12124%0.24CC..Hα-helixtrans-66-46.3-179.7-176.50000110.6V5 F9 Y12 L120 V121 A126 E127V5-V123 HydrophobicContact CG1-CG2 3.92Å; F9-V123 HydrophobicContact CB-CG2 4.26Å; Y12-V123 HydrophobicContact CD2-CG1 4.35Å; Y12-V123 HydrophobicContact CE2-CG1 4.17Å; L120-V123 PolarHBondContact O-N 3.32Å; L120-V123 VanDerWaalsContact O-N 3.14Å; V121-V123 PolarHBondContact O-N 3.33Å; V123-A126 PolarHBondContact O-N 2.68Å; V123-E127 PolarHBondContact O-N 3.14Å
124L97.7Very high96.6Very high62 Ų6238.1 Ų38.133%0.32520%0.203SC..Hα-helixtrans-63.3-43-179.7-71.5172.6000112.3L116 L120 V121 S128L116-L124 HydrophobicContact CD1-CD1 3.69Å; L120-L124 HydrophobicContact CD1-CD1 4.34Å; L120-L124 HydrophobicContact CD1-CG 4.25Å; L120-L124 HydrophobicContact CD2-CD1 4.42Å; L120-L124 HydrophobicContact CG-CD1 3.89Å; L120-L124 HydrophobicContact CG-CG 4.28Å; L120-L124 WeakPolarHBondContact O-CG 3.33Å; L120-L124 PolarHBondContact O-N 2.98Å; V121-L124 PolarHBondContact O-N 3.47Å; L124-S128 WeakPolarHBondContact O-CB 3.39Å; L124-S128 PolarHBondContact O-N 3.01Å; L124-S128 PolarHBondContact O-OG 3.47Å
125V98.2Very high96.6Very high3 Ų335.3 Ų35.32%0.01819%0.188CC..Hα-helixtrans-63.3-47.1177168.50000110.7F22 L61 L89 W109 L111 V121 E127 S128 L129F22-V125 HydrophobicContact CZ-CG1 4.33Å; L61-V125 HydrophobicContact CD1-CG2 4.07Å; L61-V125 HydrophobicContact CG-CG2 4.31Å; L89-V125 HydrophobicContact CD1-CG1 3.61Å; W109-V125 HydrophobicContact CH2-CG2 4.27Å; W109-V125 HydrophobicContact CZ3-CG1 4.16Å; W109-V125 HydrophobicContact CZ3-CG2 3.99Å; L111-V125 HydrophobicContact CD1-CG2 3.88Å; L111-V125 HydrophobicContact CD2-CG2 4.3Å; V121-V125 HydrophobicContact CG1-CG2 4.05Å; V121-V125 WeakPolarHBondContact O-CB 3.42Å; V121-V125 VanDerWaalsContact O-CG2 3.25Å; V121-V125 WeakPolarHBondContact O-CG2 3.25Å; V121-V125 PolarHBondContact O-N 3.29Å; V125-E127 PolarHBondContact O-N 3.37Å; V125-S128 PolarHBondContact O-N 3.5Å; V125-L129 HydrophobicContact CG1-CD1 3.61Å; V125-L129 HydrophobicContact CG1-CG 4.23Å; V125-L129 WeakPolarHBondContact O-CB 3.41Å; V125-L129 VanDerWaalsContact O-CG 3.25Å; V125-L129 WeakPolarHBondContact O-CG 3.32Å; V125-L129 PolarHBondContact O-N 3.23Å
126A98Very high96.6Very high0 Ų031.6 Ų31.60%017%0.165CC..Hα-helixtrans-59.6-46.7179.500000112F9 F16 F22 R122 V123 Y130F9-A126 HydrophobicContact CD2-CB 3.83Å; F9-A126 HydrophobicContact CE2-CB 3.88Å; F16-A126 WeakPolarHBondContact CZ-O 3.36Å; F22-A126 HydrophobicContact CE1-CB 3.76Å; F22-A126 HydrophobicContact CZ-CB 4.43Å; R122-A126 WeakPolarHBondContact O-CB 3.46Å; R122-A126 PolarHBondContact O-N 3.09Å; R122-A126 VanDerWaalsContact O-N 3.08Å; V123-A126 PolarHBondContact O-N 2.68Å; A126-Y130 WeakPolarHBondContact O-CB 3.38Å; A126-Y130 PolarHBondContact O-N 3.34Å; A126-Y130 VanDerWaalsContact O-N 3.1Å
127E97.8Very high96.6Very high29 Ų2932.3 Ų32.314%0.13617%0.172CC..Hα-helixtrans-64.2-48.6176.9-164.9-75.4151.400111.6Y12 V123 V125 L129 Y130 R131 Y141Y12-E127 HydrophobicContact CD1-CB 4.19Å; Y12-E127 HydrophobicContact CD1-CG 4.07Å; Y12-E127 HydrophobicContact CD2-CB 3.88Å; Y12-E127 HydrophobicContact CD2-CG 4.35Å; Y12-E127 HydrophobicContact CE1-CB 4.04Å; Y12-E127 HydrophobicContact CE1-CG 3.49Å; Y12-E127 VanDerWaalsContact CE1-CG 3.49Å; Y12-E127 HydrophobicContact CE2-CB 3.68Å; Y12-E127 HydrophobicContact CE2-CG 3.78Å; Y12-E127 HydrophobicContact CG-CB 4.13Å; Y12-E127 HydrophobicContact CG-CG 4.48Å; Y12-E127 WeakPolarHBondContact OH-CG 3.44Å; V123-E127 PolarHBondContact O-N 3.14Å; V125-E127 PolarHBondContact O-N 3.37Å; E127-L129 VanDerWaalsContact C-N 3.33Å; E127-L129 PolarHBondContact O-N 3.15Å; E127-Y130 PolarHBondContact O-N 3.32Å; E127-Y130 VanDerWaalsContact O-N 3.15Å; E127-R131 WeakPolarHBondContact O-CB 3.27Å; E127-R131 PolarHBondContact O-N 3.29Å; E127-R131 IonicContact OE1-CZ 3.06Å; E127-R131 VanDerWaalsContact OE1-CZ 3.26Å; E127-R131 IonicContact OE1-NE 3.99Å; E127-R131 PolarHBondContact OE1-NE 3.49Å; E127-R131 IonicContact OE1-NH2 3.32Å; E127-R131 PolarHBondContact OE1-NH2 3.11Å; E127-R131 IonicContact OE2-NE 2.73Å; E127-Y141 WeakPolarHBondContact CG-OH 3.39Å; E127-Y141 WeakPolarHBondContact OE1-CE1 3.38Å; E127-Y141 PolarHBondContact OE1-OH 3.02Å
128S98.1Very high96.6Very high29 Ų2933.6 Ų33.620%0.20317%0.174CC..Hα-helixtrans-62.8-40.7-175.7-61.20000111.7L73 L124 V125 R131 A132L73-S128 WeakPolarHBondContact CD2-O 3.49Å; L124-S128 WeakPolarHBondContact O-CB 3.39Å; L124-S128 PolarHBondContact O-N 3.01Å; L124-S128 PolarHBondContact O-OG 3.47Å; V125-S128 PolarHBondContact O-N 3.5Å; S128-R131 PolarHBondContact O-N 2.85Å; S128-A132 VanDerWaalsContact O-CB 3.32Å; S128-A132 WeakPolarHBondContact O-CB 3.48Å; S128-A132 PolarHBondContact O-N 3.03Å
129L98Very high96.6Very high4 Ų433.4 Ų33.42%0.02117%0.173CC..Hα-helixtrans-67.3-41.8175.6-72.8171.6000111.8F16 M20 F22 L73 W80 L89 V125 E127 R131 A132 W133F16-L129 HydrophobicContact CE1-CB 3.99Å; F16-L129 HydrophobicContact CZ-CB 3.78Å; M20-L129 HydrophobicContact CE-CB 4.24Å; M20-L129 HydrophobicContact CE-CD2 4.43Å; F22-L129 HydrophobicContact CD2-CD1 4.25Å; F22-L129 HydrophobicContact CE2-CD1 3.73Å; F22-L129 HydrophobicContact CZ-CD1 4.16Å; L73-L129 HydrophobicContact CD1-CD2 4.17Å; W80-L129 HydrophobicContact CZ3-CD2 3.98Å; L89-L129 HydrophobicContact CD1-CD1 3.62Å; V125-L129 HydrophobicContact CG1-CD1 3.61Å; V125-L129 HydrophobicContact CG1-CG 4.23Å; V125-L129 WeakPolarHBondContact O-CB 3.41Å; V125-L129 VanDerWaalsContact O-CG 3.25Å; V125-L129 WeakPolarHBondContact O-CG 3.32Å; V125-L129 PolarHBondContact O-N 3.23Å; E127-L129 VanDerWaalsContact C-N 3.33Å; E127-L129 PolarHBondContact O-N 3.15Å; L129-R131 VanDerWaalsContact C-N 3.32Å; L129-R131 PolarHBondContact O-N 3.09Å; L129-A132 PolarHBondContact O-N 3.35Å; L129-W133 WeakPolarHBondContact O-CB 3.34Å; L129-W133 PolarHBondContact O-N 3.49Å
130Y97.7Very high96.7Very high17 Ų1736.1 Ų36.17%0.06719%0.191CC..Hα-helixtrans-63.6-40.5176-177.4-109.5000111.3R15 A126 E127 W133 S134 H139 Y141R15-Y130 HydrophobicContact CB-CD2 3.91Å; R15-Y130 HydrophobicContact CB-CE1 4.2Å; R15-Y130 HydrophobicContact CB-CE2 3.5Å; R15-Y130 VanDerWaalsContact CB-CE2 3.5Å; R15-Y130 HydrophobicContact CB-CG 4.43Å; R15-Y130 VanDerWaalsContact O-CE2 3.31Å; R15-Y130 WeakPolarHBondContact O-CE2 3.28Å; A126-Y130 WeakPolarHBondContact O-CB 3.38Å; A126-Y130 PolarHBondContact O-N 3.34Å; A126-Y130 VanDerWaalsContact O-N 3.1Å; E127-Y130 PolarHBondContact O-N 3.32Å; E127-Y130 VanDerWaalsContact O-N 3.15Å; Y130-W133 AromaticContact CD2-CE3 3.81Å; Y130-W133 HydrophobicContact CD2-CE3 3.81Å; Y130-W133 HydrophobicContact CD2-CZ3 4.16Å; Y130-W133 AromaticContact CE2-CE3 3.56Å; Y130-W133 HydrophobicContact CE2-CE3 3.56Å; Y130-W133 HydrophobicContact CE2-CH2 4.47Å; Y130-W133 AromaticContact CE2-CZ3 3.42Å; Y130-W133 HydrophobicContact CE2-CZ3 3.42Å; Y130-W133 VanDerWaalsContact CE2-CZ3 3.42Å; Y130-W133 AromaticContact CZ-CZ3 3.92Å; Y130-W133 PolarHBondContact O-N 3.44Å; Y130-S134 WeakPolarHBondContact O-CB 3.36Å; Y130-S134 PolarHBondContact O-N 3.23Å; Y130-H139 PolarHBondContact OH-CE1 3.35Å; Y130-Y141 AromaticContact CD1-CD1 3.54Å; Y130-Y141 HydrophobicContact CD1-CD1 3.54Å; Y130-Y141 HydrophobicContact CD1-CD2 4.43Å; Y130-Y141 AromaticContact CD1-CE1 3.55Å; Y130-Y141 HydrophobicContact CD1-CE1 3.55Å; Y130-Y141 HydrophobicContact CD1-CE2 4.42Å; Y130-Y141 HydrophobicContact CD1-CG 4.01Å; Y130-Y141 AromaticContact CE1-CD1 3.61Å; Y130-Y141 HydrophobicContact CE1-CD1 3.61Å; Y130-Y141 AromaticContact CE1-CD2 3.91Å; Y130-Y141 HydrophobicContact CE1-CD2 3.91Å; Y130-Y141 AromaticContact CE1-CE1 3.99Å; Y130-Y141 HydrophobicContact CE1-CE1 3.99Å; Y130-Y141 HydrophobicContact CE1-CE2 4.24Å; Y130-Y141 AromaticContact CE1-CG 3.57Å; Y130-Y141 HydrophobicContact CE1-CG 3.57Å
131R97.5Very high96.6Very high51 Ų5134.4 Ų34.419%0.19218%0.18CC..Hα-helixtrans-62.1-49173.6-169.8179-70.3-83.9-6.6111.8T70 E127 S128 L129 W133 S134 I135 Y141 E144T70-R131 HydrophobicContact CG2-CB 4.27Å; T70-R131 HydrophobicContact CG2-CG 3.64Å; E127-R131 WeakPolarHBondContact O-CB 3.27Å; E127-R131 PolarHBondContact O-N 3.29Å; E127-R131 IonicContact OE1-CZ 3.06Å; E127-R131 VanDerWaalsContact OE1-CZ 3.26Å; E127-R131 IonicContact OE1-NE 3.99Å; E127-R131 PolarHBondContact OE1-NE 3.49Å; E127-R131 IonicContact OE1-NH2 3.32Å; E127-R131 PolarHBondContact OE1-NH2 3.11Å; E127-R131 IonicContact OE2-NE 2.73Å; S128-R131 PolarHBondContact O-N 2.85Å; L129-R131 VanDerWaalsContact C-N 3.32Å; L129-R131 PolarHBondContact O-N 3.09Å; R131-W133 PolarHBondContact O-N 3.41Å; R131-S134 PolarHBondContact O-N 3.18Å; R131-S134 VanDerWaalsContact O-N 3.1Å; R131-S134 PolarHBondContact O-OG 2.91Å; R131-I135 PolarHBondContact O-N 3.32Å; R131-I135 VanDerWaalsContact O-N 3.15Å; R131-Y141 HydrophobicContact CB-CD1 4.32Å; R131-Y141 HydrophobicContact CB-CE1 3.98Å; R131-Y141 HydrophobicContact CG-CE1 4.37Å; R131-E144 PolarHBondContact NH1-OXT 2.89Å
132A97.8Very high96.1Very high0 Ų036.2 Ų36.20%019%0.188CC..Hα-helixtrans-58.1-47.4176.600000111.6L73 A74 S128 L129 S134 I135 T136L73-A132 HydrophobicContact CB-CB 4.13Å; L73-A132 HydrophobicContact CD2-CB 3.85Å; L73-A132 HydrophobicContact CG-CB 3.64Å; A74-A132 HydrophobicContact CB-CB 4.18Å; S128-A132 VanDerWaalsContact O-CB 3.32Å; S128-A132 WeakPolarHBondContact O-CB 3.48Å; S128-A132 PolarHBondContact O-N 3.03Å; L129-A132 PolarHBondContact O-N 3.35Å; A132-S134 VanDerWaalsContact C-N 3.28Å; A132-S134 PolarHBondContact O-N 3.42Å; A132-I135 WeakPolarHBondContact O-CB 3.47Å; A132-I135 PolarHBondContact O-N 3.46Å; A132-I135 VanDerWaalsContact O-N 3.11Å; A132-T136 WeakPolarHBondContact O-CG2 3.39Å; A132-T136 PolarHBondContact O-N 2.91Å
133W97Very high95.6Very high24 Ų2442.7 Ų42.79%0.09121%0.213CC..Hα-helixtrans-56.9-40.7173.2169.682.3000112.7P17 M20 L77 L129 Y130 R131 I135 T136 T137 H139P17-W133 HydrophobicContact CB-CZ2 3.94Å; P17-W133 HydrophobicContact CG-CD2 4.28Å; P17-W133 VanDerWaalsContact CG-CE2 3.49Å; P17-W133 HydrophobicContact CG-CH2 4.38Å; P17-W133 HydrophobicContact CG-CZ2 3.55Å; M20-W133 HydrophobicContact SD-CB 3.77Å; M20-W133 HydrophobicContact SD-CG 3.96Å; L77-W133 HydrophobicContact CD2-CB 3.78Å; L129-W133 WeakPolarHBondContact O-CB 3.34Å; L129-W133 PolarHBondContact O-N 3.49Å; Y130-W133 AromaticContact CD2-CE3 3.81Å; Y130-W133 HydrophobicContact CD2-CE3 3.81Å; Y130-W133 HydrophobicContact CD2-CZ3 4.16Å; Y130-W133 AromaticContact CE2-CE3 3.56Å; Y130-W133 HydrophobicContact CE2-CE3 3.56Å; Y130-W133 HydrophobicContact CE2-CH2 4.47Å; Y130-W133 AromaticContact CE2-CZ3 3.42Å; Y130-W133 HydrophobicContact CE2-CZ3 3.42Å; Y130-W133 VanDerWaalsContact CE2-CZ3 3.42Å; Y130-W133 AromaticContact CZ-CZ3 3.92Å; Y130-W133 PolarHBondContact O-N 3.44Å; R131-W133 PolarHBondContact O-N 3.41Å; W133-I135 PolarHBondContact O-N 3.41Å; W133-T136 PolarHBondContact O-N 3.3Å; W133-T136 VanDerWaalsContact O-N 3.08Å; W133-T136 PolarHBondContact O-OG1 2.85Å; W133-T137 HydrophobicContact CD2-CG2 4.47Å; W133-T137 HydrophobicContact CZ2-CG2 3.96Å; W133-T137 PolarHBondContact O-N 3.41Å; W133-T137 VanDerWaalsContact O-N 3.1Å; W133-T137 PolarHBondContact O-OG1 2.89Å; W133-H139 HydrophobicContact CH2-CB 4.42Å; W133-H139 HydrophobicContact CZ3-CB 4.2Å; W133-H139 AromaticContact CZ3-CG 4Å
134S97.2Very high94.6Very high0 Ų050.1 Ų50.10%025%0.246CC..Hα-helixtrans-66.7-24.9179.775.10000113Y130 R131 A132 N138 H139 H142Y130-S134 WeakPolarHBondContact O-CB 3.36Å; Y130-S134 PolarHBondContact O-N 3.23Å; R131-S134 PolarHBondContact O-N 3.18Å; R131-S134 VanDerWaalsContact O-N 3.1Å; R131-S134 PolarHBondContact O-OG 2.91Å; A132-S134 VanDerWaalsContact C-N 3.28Å; A132-S134 PolarHBondContact O-N 3.42Å; S134-N138 CarbonylContact O-C 3.53Å; S134-N138 WeakPolarHBondContact O-CA 3.29Å; S134-N138 PolarHBondContact O-N 3.49Å; S134-H139 PolarHBondContact O-N 2.9Å; S134-H142 PolarHBondContact O-ND1 2.99Å; S134-H142 WeakPolarHBondContact OG-CB 3.38Å; S134-H142 PolarHBondContact OG-N 3.32Å; S134-H142 VanDerWaalsContact OG-N 3.13Å
135I97.2Very high94.4Very high60 Ų6049.5 Ų49.531%0.30824%0.242SC..Hα-helixtrans-68.6-48.6168.9-63.8176.4000109.8T70 A74 R131 A132 W133 T137 N138 H142T70-I135 HydrophobicContact CG2-CD1 3.57Å; A74-I135 HydrophobicContact CB-CB 4.08Å; A74-I135 HydrophobicContact CB-CD1 4.34Å; A74-I135 HydrophobicContact CB-CG2 4.13Å; R131-I135 PolarHBondContact O-N 3.32Å; R131-I135 VanDerWaalsContact O-N 3.15Å; A132-I135 WeakPolarHBondContact O-CB 3.47Å; A132-I135 PolarHBondContact O-N 3.46Å; A132-I135 VanDerWaalsContact O-N 3.11Å; W133-I135 PolarHBondContact O-N 3.41Å; I135-T137 PolarHBondContact O-N 2.88Å; I135-N138 PolarHBondContact O-N 3.27Å; I135-N138 VanDerWaalsContact O-N 3.14Å; I135-H142 HydrophobicContact CD1-CB 4.38Å; I135-H142 HydrophobicContact CG1-CB 3.46Å; I135-H142 VanDerWaalsContact CG1-CB 3.46Å
136T95.6Very high94.2Very high45 Ų4551.9 Ų51.928%0.27625%0.254SS..Hα-helixtrans-68.3-21.9-173.781.90000113.5A74 L77 E78 A132 W133A74-T136 HydrophobicContact CB-CG2 3.92Å; L77-T136 HydrophobicContact CD2-CG2 4.45Å; E78-T136 HydrophobicContact CG-CG2 3.75Å; E78-T136 WeakPolarHBondContact OE1-CB 3.45Å; E78-T136 WeakPolarHBondContact OE1-CG2 3.33Å; E78-T136 PolarHBondContact OE1-OG1 3.11Å; A132-T136 WeakPolarHBondContact O-CG2 3.39Å; A132-T136 PolarHBondContact O-N 2.91Å; W133-T136 PolarHBondContact O-N 3.3Å; W133-T136 VanDerWaalsContact O-N 3.08Å; W133-T136 PolarHBondContact O-OG1 2.85Å
137T94.9Very high94Very high61 Ų6154.8 Ų54.837%0.37427%0.268SS..THydrogen-bonded Turntrans-103.92.7177.155.80000113.9W133 I135 H139W133-T137 HydrophobicContact CD2-CG2 4.47Å; W133-T137 HydrophobicContact CZ2-CG2 3.96Å; W133-T137 PolarHBondContact O-N 3.41Å; W133-T137 VanDerWaalsContact O-N 3.1Å; W133-T137 PolarHBondContact O-OG1 2.89Å; I135-T137 PolarHBondContact O-N 2.88Å; T137-H139 PolarHBondContact O-N 3.45Å
138N93.9Very high93.8Very high108 Ų10856.4 Ų56.458%0.57828%0.276SS*.THydrogen-bonded Turntrans5330.2-173-168.640.1000113.6S134 I135 R143S134-N138 CarbonylContact O-C 3.53Å; S134-N138 WeakPolarHBondContact O-CA 3.29Å; S134-N138 PolarHBondContact O-N 3.49Å; I135-N138 PolarHBondContact O-N 3.27Å; I135-N138 VanDerWaalsContact O-N 3.14Å; N138-R143 PolarHBondContact OD1-NH2 3.29Å
139H94.2Very high93.5Very high65 Ų6558.1 Ų58.130%0.30128%0.28SS..  trans-73139174.7179.6-80000110.1Y130 W133 S134 T137 Y141 H142Y130-H139 PolarHBondContact OH-CE1 3.35Å; W133-H139 HydrophobicContact CH2-CB 4.42Å; W133-H139 HydrophobicContact CZ3-CB 4.2Å; W133-H139 AromaticContact CZ3-CG 4Å; S134-H139 PolarHBondContact O-N 2.9Å; T137-H139 PolarHBondContact O-N 3.45Å; H139-Y141 WeakPolarHBondContact ND1-CB 3.34Å; H139-Y141 PolarHBondContact ND1-N 3.42Å; H139-Y141 PolarHBondContact O-N 3.35Å; H139-H142 PolarHBondContact O-CE1 2.97Å; H139-H142 VanDerWaalsContact O-CE1 3.32Å; H139-H142 PolarHBondContact O-ND1 2.91Å
140P94.3Very high93.2Very high76 Ų7661.7 Ų61.749%0.49430%0.297SS..G310 helixtrans-59.9-25.1-168.221.5-34.7000115.8H142 R143P140-H142 PolarHBondContact O-N 3.25Å; P140-H142 VanDerWaalsContact O-N 3.07Å; P140-R143 WeakPolarHBondContact O-CB 3.39Å; P140-R143 PolarHBondContact O-N 3.35Å
141Y93.6Very high92.9Very high18 Ų1864.9 Ų64.97%0.07131%0.314CS..G310 helixtrans-51.8-32.6-176.2-176.1-99000115Y12 E127 Y130 R131 H139 R143 E144Y12-Y141 WeakPolarHBondContact CE1-OH 3.34Å; E127-Y141 WeakPolarHBondContact CG-OH 3.39Å; E127-Y141 WeakPolarHBondContact OE1-CE1 3.38Å; E127-Y141 PolarHBondContact OE1-OH 3.02Å; Y130-Y141 AromaticContact CD1-CD1 3.54Å; Y130-Y141 HydrophobicContact CD1-CD1 3.54Å; Y130-Y141 HydrophobicContact CD1-CD2 4.43Å; Y130-Y141 AromaticContact CD1-CE1 3.55Å; Y130-Y141 HydrophobicContact CD1-CE1 3.55Å; Y130-Y141 HydrophobicContact CD1-CE2 4.42Å; Y130-Y141 HydrophobicContact CD1-CG 4.01Å; Y130-Y141 AromaticContact CE1-CD1 3.61Å; Y130-Y141 HydrophobicContact CE1-CD1 3.61Å; Y130-Y141 AromaticContact CE1-CD2 3.91Å; Y130-Y141 HydrophobicContact CE1-CD2 3.91Å; Y130-Y141 AromaticContact CE1-CE1 3.99Å; Y130-Y141 HydrophobicContact CE1-CE1 3.99Å; Y130-Y141 HydrophobicContact CE1-CE2 4.24Å; Y130-Y141 AromaticContact CE1-CG 3.57Å; Y130-Y141 HydrophobicContact CE1-CG 3.57Å; R131-Y141 HydrophobicContact CB-CD1 4.32Å; R131-Y141 HydrophobicContact CB-CE1 3.98Å; R131-Y141 HydrophobicContact CG-CE1 4.37Å; H139-Y141 WeakPolarHBondContact ND1-CB 3.34Å; H139-Y141 PolarHBondContact ND1-N 3.42Å; H139-Y141 PolarHBondContact O-N 3.35Å; Y141-R143 PolarHBondContact O-N 3.01Å; Y141-R143 VanDerWaalsContact O-N 3.1Å; Y141-E144 PolarHBondContact O-N 3.08Å
142H86.2Confident92.6Very high51 Ų5165.9 Ų65.924%0.23632%0.323CS..G310 helixtrans-65.6-14.5178.767.9-87.1000114.3S134 I135 H139 P140S134-H142 PolarHBondContact O-ND1 2.99Å; S134-H142 WeakPolarHBondContact OG-CB 3.38Å; S134-H142 PolarHBondContact OG-N 3.32Å; S134-H142 VanDerWaalsContact OG-N 3.13Å; I135-H142 HydrophobicContact CD1-CB 4.38Å; I135-H142 HydrophobicContact CG1-CB 3.46Å; I135-H142 VanDerWaalsContact CG1-CB 3.46Å; H139-H142 PolarHBondContact O-CE1 2.97Å; H139-H142 VanDerWaalsContact O-CE1 3.32Å; H139-H142 PolarHBondContact O-ND1 2.91Å; P140-H142 PolarHBondContact O-N 3.25Å; P140-H142 VanDerWaalsContact O-N 3.07Å
143R86.2Confident92.1Very high174 Ų17471.4 Ų71.466%0.65735%0.35SS*.G310 helixtrans-95.6-12-178.4-54-177.5-173.11623.3113.2N138 P140 Y141N138-R143 PolarHBondContact OD1-NH2 3.29Å; P140-R143 WeakPolarHBondContact O-CB 3.39Å; P140-R143 PolarHBondContact O-N 3.35Å; Y141-R143 PolarHBondContact O-N 3.01Å; Y141-R143 VanDerWaalsContact O-N 3.1Å
144E75.1Confident91.7Very high175 Ų17575.7 Ų75.782%0.81837%0.374SS*.  trans-82.50172.7-63.3176.5-167.500110.5R131 Y141R131-E144 PolarHBondContact NH1-OXT 2.89Å; Y141-E144 PolarHBondContact O-N 3.08Å

Retrieved 144 of 144 residues in 1133 ms (Link to these results)

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