| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | T | 72.4 | Confident | 91.2 | Very high | 44 Ų | 44 | 64.2 Ų | 64.2 | 27% | 0.27 | 33% | 0.328 | S | S | . | . | 0 | 140.3 | 0 | -165.7 | 0 | 0 | 0 | 0 | 112.4 | V3 D25 H40 Y41 | T1-V3 HydrophobicContact CG2-CB 3.99Å; T1-V3 HydrophobicContact CG2-CG2 4.47Å; T1-V3 PolarHBondContact O-N 2.8Å; T1-V3 WeakPolarHBondContact OG1-CG2 3.24Å; T1-D25 WeakPolarHBondContact CA-OD2 3.33Å; T1-D25 WeakPolarHBondContact CB-OD2 3.42Å; T1-D25 PolarHBondContact OG1-OD2 2.83Å; T1-H40 HydrophobicContact CG2-CB 4.13Å; T1-Y41 PolarHBondContact OG1-OH 3.46Å | |||
| 2 | S | 80.1 | Confident | 91.7 | Very high | 30 Ų | 30 | 70.4 Ų | 70.4 | 21% | 0.21 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -68.5 | -17 | 175 | 45.4 | 0 | 0 | 0 | 0 | 113.1 | N4 Y5 T22 | S2-N4 PolarHBondContact O-N 3.29Å; S2-Y5 PolarHBondContact O-N 3.41Å; S2-Y5 VanDerWaalsContact O-N 3.16Å; S2-T22 WeakPolarHBondContact CB-O 3.49Å; S2-T22 PolarHBondContact OG-O 3.08Å |
| 3 | V | 86.6 | Confident | 92.2 | Very high | 30 Ų | 30 | 68.2 Ų | 68.2 | 18% | 0.182 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -56.6 | -34.5 | -179 | -178.3 | 0 | 0 | 0 | 0 | 112.9 | T1 Y5 L6 H40 Y41 A62 | T1-V3 HydrophobicContact CG2-CB 3.99Å; T1-V3 HydrophobicContact CG2-CG2 4.47Å; T1-V3 PolarHBondContact O-N 2.8Å; T1-V3 WeakPolarHBondContact OG1-CG2 3.24Å; V3-Y5 PolarHBondContact O-N 3.09Å; V3-Y5 VanDerWaalsContact O-N 3.11Å; V3-L6 HydrophobicContact CB-CD1 4.34Å; V3-L6 HydrophobicContact CG1-CD1 4.11Å; V3-L6 HydrophobicContact CG2-CD1 4.47Å; V3-L6 WeakPolarHBondContact O-CG 3.16Å; V3-L6 PolarHBondContact O-N 3.25Å; V3-H40 WeakPolarHBondContact CG1-O 3.44Å; V3-Y41 HydrophobicContact CG2-CD1 3.65Å; V3-Y41 HydrophobicContact CG2-CE1 3.35Å; V3-A62 HydrophobicContact CG2-CB 4.32Å |
| 4 | N | 90.6 | Very high | 92.5 | Very high | 117 Ų | 117 | 78.1 Ų | 78.1 | 63% | 0.626 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -62.7 | -20.4 | -177.7 | -67.2 | -13.1 | 0 | 0 | 0 | 113.9 | S2 | S2-N4 PolarHBondContact O-N 3.29Š|
| 5 | Y | 94.9 | Very high | 92.9 | Very high | 170 Ų | 170 | 77.9 Ų | 77.9 | 67% | 0.667 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -100.7 | -7.1 | -177.1 | -56.6 | -75.8 | 0 | 0 | 0 | 113.2 | S2 V3 D7 S8 A9 | S2-Y5 PolarHBondContact O-N 3.41Å; S2-Y5 VanDerWaalsContact O-N 3.16Å; V3-Y5 PolarHBondContact O-N 3.09Å; V3-Y5 VanDerWaalsContact O-N 3.11Å; Y5-D7 PolarHBondContact O-N 3.49Å; Y5-S8 PolarHBondContact O-N 3.28Å; Y5-A9 PolarHBondContact O-N 3.02Å |
| 6 | L | 96.1 | Very high | 93.2 | Very high | 8 Ų | 8 | 79.8 Ų | 79.8 | 4% | 0.042 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.2 | -40.9 | -172.3 | -65.9 | 176.9 | 0 | 0 | 0 | 112.3 | V3 S8 A9 F10 V21 A62 V63 A66 | V3-L6 HydrophobicContact CB-CD1 4.34Å; V3-L6 HydrophobicContact CG1-CD1 4.11Å; V3-L6 HydrophobicContact CG2-CD1 4.47Å; V3-L6 WeakPolarHBondContact O-CG 3.16Å; V3-L6 PolarHBondContact O-N 3.25Å; L6-S8 VanDerWaalsContact C-N 3.34Å; L6-S8 PolarHBondContact O-N 2.95Å; L6-A9 PolarHBondContact O-N 2.96Å; L6-F10 HydrophobicContact CB-CD2 4.37Å; L6-F10 HydrophobicContact CD2-CE2 4.39Å; L6-F10 WeakPolarHBondContact O-CB 3.41Å; L6-F10 VanDerWaalsContact O-CD2 3.23Å; L6-F10 WeakPolarHBondContact O-CD2 3.39Å; L6-F10 PolarHBondContact O-N 2.97Å; L6-V21 HydrophobicContact CD2-CG1 4.38Å; L6-V21 HydrophobicContact CD2-CG2 3.84Å; L6-A62 HydrophobicContact CD1-CB 4.36Å; L6-V63 HydrophobicContact CD1-CG2 4.19Å; L6-V63 HydrophobicContact CD2-CG2 4.11Å; L6-A66 HydrophobicContact CB-CB 3.49Å; L6-A66 VanDerWaalsContact CB-CB 3.49Å; L6-A66 HydrophobicContact CD1-CB 4.25Å; L6-A66 HydrophobicContact CG-CB 4.49Å |
| 7 | D | 94.7 | Very high | 93.5 | Very high | 43 Ų | 43 | 75.5 Ų | 75.5 | 23% | 0.23 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 179.3 | -74.6 | -32.7 | 0 | 0 | 0 | 111.9 | Y5 F10 R11 R69 | Y5-D7 PolarHBondContact O-N 3.49Å; D7-F10 PolarHBondContact O-N 3.38Å; D7-R11 WeakPolarHBondContact O-CB 3.23Å; D7-R11 VanDerWaalsContact O-CG 3.24Å; D7-R11 WeakPolarHBondContact O-CG 3.44Å; D7-R11 PolarHBondContact O-N 3.42Å; D7-R69 VanDerWaalsContact CG-NH2 3.27Å; D7-R69 IonicContact OD1-CZ 3.18Å; D7-R69 IonicContact OD1-NE 2.91Å; D7-R69 PolarHBondContact OD1-NE 3.09Å; D7-R69 IonicContact OD1-NH2 2.66Å; D7-R69 PolarHBondContact OD1-NH2 3.23Å; D7-R69 IonicContact OD2-CZ 3.87Å; D7-R69 IonicContact OD2-NE 3.74Å; D7-R69 IonicContact OD2-NH2 3.2Å; D7-R69 PolarHBondContact OD2-NH2 3.15Å |
| 8 | S | 96.5 | Very high | 93.8 | Very high | 65 Ų | 65 | 76.3 Ų | 76.3 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 176.5 | -62.3 | 0 | 0 | 0 | 0 | 111.5 | Y5 L6 R11 N12 | Y5-S8 PolarHBondContact O-N 3.28Å; L6-S8 VanDerWaalsContact C-N 3.34Å; L6-S8 PolarHBondContact O-N 2.95Å; S8-R11 PolarHBondContact O-N 3.5Å; S8-N12 PolarHBondContact O-N 2.9Å; S8-N12 PolarHBondContact O-ND2 2.96Å |
| 9 | A | 96.9 | Very high | 94 | Very high | 40 Ų | 40 | 73.1 Ų | 73.1 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y5 L6 R11 N12 I13 | Y5-A9 PolarHBondContact O-N 3.02Å; L6-A9 PolarHBondContact O-N 2.96Å; A9-R11 PolarHBondContact O-N 2.68Å; A9-N12 PolarHBondContact O-N 3.36Å; A9-I13 WeakPolarHBondContact O-CB 3.46Å; A9-I13 WeakPolarHBondContact O-CG2 3.38Å; A9-I13 PolarHBondContact O-N 3.03Å |
| 10 | F | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -72.2 | -26 | -178.1 | -80 | -69.8 | 0 | 0 | 0 | 113.8 | L6 D7 I13 V19 V63 A66 A67 C70 K72 I74 V90 V92 | L6-F10 HydrophobicContact CB-CD2 4.37Å; L6-F10 HydrophobicContact CD2-CE2 4.39Å; L6-F10 WeakPolarHBondContact O-CB 3.41Å; L6-F10 VanDerWaalsContact O-CD2 3.23Å; L6-F10 WeakPolarHBondContact O-CD2 3.39Å; L6-F10 PolarHBondContact O-N 2.97Å; D7-F10 PolarHBondContact O-N 3.38Å; F10-I13 HydrophobicContact CD1-CG2 4.06Å; F10-V19 HydrophobicContact CE1-CG2 4.2Å; F10-V19 HydrophobicContact CZ-CG2 4.34Å; F10-V63 HydrophobicContact CE2-CG1 3.75Å; F10-V63 WeakPolarHBondContact CE2-O 3.48Å; F10-V63 HydrophobicContact CZ-CG1 3.49Å; F10-V63 VanDerWaalsContact CZ-CG1 3.49Å; F10-A66 HydrophobicContact CD2-CB 3.79Å; F10-A66 HydrophobicContact CE2-CB 4.22Å; F10-A67 HydrophobicContact CD1-CB 3.58Å; F10-A67 HydrophobicContact CD2-CB 4.26Å; F10-A67 HydrophobicContact CE1-CB 3.5Å; F10-A67 VanDerWaalsContact CE1-CB 3.5Å; F10-A67 HydrophobicContact CE2-CB 4.21Å; F10-A67 HydrophobicContact CG-CB 3.99Å; F10-A67 HydrophobicContact CZ-CB 3.84Å; F10-C70 HydrophobicContact CB-CB 4.26Å; F10-K72 VanDerWaalsContact O-CD 3.23Å; F10-K72 WeakPolarHBondContact O-CD 3.3Å; F10-K72 WeakPolarHBondContact O-CE 3.49Å; F10-K72 PolarHBondContact O-NZ 3.46Å; F10-I74 HydrophobicContact CE1-CG2 4.01Å; F10-I74 HydrophobicContact CZ-CG2 4.11Å; F10-V90 HydrophobicContact CZ-CG2 4.34Å; F10-V92 HydrophobicContact CD1-CG2 4.27Å; F10-V92 HydrophobicContact CE1-CG2 3.79Å |
| 11 | R | 97 | Very high | 94.4 | Very high | 159 Ų | 159 | 70.3 Ų | 70.3 | 60% | 0.6 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.5 | -42.1 | 170.9 | -78.5 | 175.8 | -173.2 | 125 | 1.8 | 112 | D7 S8 A9 K72 | D7-R11 WeakPolarHBondContact O-CB 3.23Å; D7-R11 VanDerWaalsContact O-CG 3.24Å; D7-R11 WeakPolarHBondContact O-CG 3.44Å; D7-R11 PolarHBondContact O-N 3.42Å; S8-R11 PolarHBondContact O-N 3.5Å; A9-R11 PolarHBondContact O-N 2.68Å; R11-K72 PolarHBondContact O-NZ 3Å |
| 12 | N | 96.6 | Very high | 95.6 | Very high | 139 Ų | 139 | 71.6 Ų | 71.6 | 74% | 0.743 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -93.4 | -24.4 | -170.1 | -68.5 | -70.1 | 0 | 0 | 0 | 114.6 | S8 A9 R14 | S8-N12 PolarHBondContact O-N 2.9Å; S8-N12 PolarHBondContact O-ND2 2.96Å; A9-N12 PolarHBondContact O-N 3.36Å; N12-R14 PolarHBondContact O-N 3.14Å |
| 13 | I | 97.8 | Very high | 96.3 | Very high | 42 Ų | 42 | 70.2 Ų | 70.2 | 22% | 0.215 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 134.3 | -178.2 | -165.9 | 67.5 | 0 | 0 | 0 | 111.6 | A9 F10 V19 K72 V92 | A9-I13 WeakPolarHBondContact O-CB 3.46Å; A9-I13 WeakPolarHBondContact O-CG2 3.38Å; A9-I13 PolarHBondContact O-N 3.03Å; F10-I13 HydrophobicContact CD1-CG2 4.06Å; I13-V19 HydrophobicContact CB-CG2 4.41Å; I13-V19 HydrophobicContact CD1-CG2 4.36Å; I13-V19 HydrophobicContact CG1-CG2 3.95Å; I13-V19 HydrophobicContact CG2-CG2 4.46Å; I13-K72 HydrophobicContact CG2-CD 4.27Å; I13-K72 WeakPolarHBondContact O-CE 3.41Å; I13-V92 HydrophobicContact CG1-CG2 3.97Å; I13-V92 HydrophobicContact CG2-CB 4.37Å; I13-V92 HydrophobicContact CG2-CG1 4.08Å; I13-V92 HydrophobicContact CG2-CG2 3.81Å |
| 14 | R | 97.3 | Very high | 96.7 | Very high | 206 Ų | 206 | 73.7 Ų | 73.7 | 78% | 0.777 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 163.6 | 176.4 | 66.2 | 179.4 | -178.3 | -178.8 | -0.1 | 112.1 | N12 G17 | N12-R14 PolarHBondContact O-N 3.14Å; R14-G17 PolarHBondContact O-N 2.86Å |
| 15 | N | 98.1 | Very high | 96.8 | Very high | 76 Ų | 76 | 70.1 Ų | 70.1 | 41% | 0.406 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 140.7 | 170.9 | -169.7 | 37.6 | 0 | 0 | 0 | 110.4 | G17 R94 | N15-G17 PolarHBondContact O-N 3.29Å; N15-G17 VanDerWaalsContact O-N 3.09Å; N15-R94 HydrophobicContact CB-CB 3.85Å; N15-R94 WeakPolarHBondContact OD1-CB 3.28Å; N15-R94 PolarHBondContact OD1-N 3.13Å |
| 16 | L | 98.4 | Very high | 96.8 | Very high | 107 Ų | 107 | 62.9 Ų | 62.9 | 56% | 0.56 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 7.4 | -174.9 | -50.8 | 174.6 | 0 | 0 | 0 | 114.8 | V92 L93 | L16-V92 VanDerWaalsContact CA-O 3.25Å; L16-V92 WeakPolarHBondContact CA-O 3.29Å; L16-V92 PolarHBondContact N-O 2.94Å; L16-L93 HydrophobicContact CD2-CD2 4.14Å |
| 17 | G | 98.4 | Very high | 96.7 | Very high | 8 Ų | 8 | 65.5 Ų | 65.5 | 8% | 0.082 | 35% | 0.352 | C | S | . | . | trans | -63.4 | 154.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R14 N15 R91 V92 | R14-G17 PolarHBondContact O-N 2.86Å; N15-G17 PolarHBondContact O-N 3.29Å; N15-G17 VanDerWaalsContact O-N 3.09Å; G17-R91 WeakPolarHBondContact O-CA 3.25Å; G17-V92 PolarHBondContact O-N 3.23Å | ||
| 18 | I | 98.3 | Very high | 96.8 | Very high | 90 Ų | 90 | 63.6 Ų | 63.6 | 46% | 0.462 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 133.8 | 177 | -63 | 176.9 | 0 | 0 | 0 | 108.5 | L77 V89 V90 | I18-L77 HydrophobicContact CD1-CD1 4.15Å; I18-L77 HydrophobicContact CG1-CD1 4.26Å; I18-L77 HydrophobicContact CG2-CD1 4.49Å; I18-V89 HydrophobicContact CG2-CG1 3.55Å; I18-V90 CarbonylContact C-O 3Å; I18-V90 WeakPolarHBondContact CA-O 3.33Å |
| 19 | V | 98.3 | Very high | 96.7 | Very high | 15 Ų | 15 | 60.6 Ų | 60.6 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 122.9 | 171 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | F10 I13 V21 V89 V90 V92 | F10-V19 HydrophobicContact CE1-CG2 4.2Å; F10-V19 HydrophobicContact CZ-CG2 4.34Å; I13-V19 HydrophobicContact CB-CG2 4.41Å; I13-V19 HydrophobicContact CD1-CG2 4.36Å; I13-V19 HydrophobicContact CG1-CG2 3.95Å; I13-V19 HydrophobicContact CG2-CG2 4.46Å; V19-V21 HydrophobicContact CG1-CG2 3.82Å; V19-V89 WeakPolarHBondContact O-CA 3.48Å; V19-V90 HydrophobicContact CB-CG2 3.94Å; V19-V90 PolarHBondContact N-O 2.72Å; V19-V90 PolarHBondContact O-N 3.43Å; V19-V92 HydrophobicContact CG2-CG2 3.88Å |
| 20 | S | 97.9 | Very high | 96.7 | Very high | 78 Ų | 78 | 59.2 Ų | 59.2 | 55% | 0.545 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123.7 | 174 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | L87 | S20-L87 WeakPolarHBondContact OG-CD1 3.3Å |
| 21 | V | 97.5 | Very high | 96.6 | Very high | 10 Ų | 10 | 59.9 Ų | 59.9 | 6% | 0.061 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 117.1 | -176.5 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | L6 V19 V59 V63 L87 V88 | L6-V21 HydrophobicContact CD2-CG1 4.38Å; L6-V21 HydrophobicContact CD2-CG2 3.84Å; V19-V21 HydrophobicContact CG1-CG2 3.82Å; V21-V59 HydrophobicContact CG1-CG1 4.34Å; V21-V63 HydrophobicContact CB-CG2 4.38Å; V21-V63 HydrophobicContact CG2-CG2 3.95Å; V21-L87 WeakPolarHBondContact O-CA 3.23Å; V21-V88 PolarHBondContact N-O 2.87Å; V21-V88 PolarHBondContact O-N 2.97Å |
| 22 | T | 96.9 | Very high | 96.5 | Very high | 71 Ų | 71 | 59.3 Ų | 59.3 | 44% | 0.436 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 133.9 | 169.5 | -52.6 | 0 | 0 | 0 | 0 | 109.3 | S2 F85 V86 | S2-T22 WeakPolarHBondContact CB-O 3.49Å; S2-T22 PolarHBondContact OG-O 3.08Å; T22-F85 HydrophobicContact CG2-CB 3.91Å; T22-F85 HydrophobicContact CG2-CD2 4.03Å; T22-F85 HydrophobicContact CG2-CG 4.17Å; T22-V86 CarbonylContact C-O 3.59Å; T22-V86 WeakPolarHBondContact CA-O 3.49Å |
| 23 | S | 95.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 119.1 | 174.7 | -178.4 | 0 | 0 | 0 | 0 | 110 | L29 Y41 F85 V86 | S23-L29 WeakPolarHBondContact OG-CD1 3.43Å; S23-Y41 PolarHBondContact OG-OH 2.81Å; S23-F85 CarbonylContact O-C 3.59Å; S23-F85 VanDerWaalsContact O-CA 3.31Å; S23-F85 WeakPolarHBondContact O-CA 3.49Å; S23-V86 PolarHBondContact N-O 2.84Å; S23-V86 PolarHBondContact O-N 2.74Å |
| 24 | T | 95.6 | Very high | 96.3 | Very high | 103 Ų | 103 | 55.8 Ų | 55.8 | 63% | 0.632 | 30% | 0.295 | S | S | * | . | trans | -99.2 | 5.3 | 177.3 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | I26 F85 | T24-I26 PolarHBondContact O-N 3.11Å; T24-F85 HydrophobicContact CG2-CB 4.23Å | ||
| 25 | D | 92.9 | Very high | 96.2 | Very high | 41 Ų | 41 | 51.8 Ų | 51.8 | 22% | 0.219 | 29% | 0.285 | C | S | . | . | trans | -76 | 47.6 | 179.7 | -59.6 | -43.5 | 0 | 0 | 0 | 112.2 | T1 S27 S28 L29 Y41 | T1-D25 WeakPolarHBondContact CA-OD2 3.33Å; T1-D25 WeakPolarHBondContact CB-OD2 3.42Å; T1-D25 PolarHBondContact OG1-OD2 2.83Å; D25-S27 VanDerWaalsContact C-N 3.28Å; D25-S27 PolarHBondContact O-N 2.91Å; D25-S28 WeakPolarHBondContact CB-OG 3.26Å; D25-S28 WeakPolarHBondContact O-CB 3.43Å; D25-S28 PolarHBondContact O-N 3.2Å; D25-S28 PolarHBondContact O-OG 3.18Å; D25-L29 PolarHBondContact O-N 2.92Å; D25-L29 VanDerWaalsContact O-N 3.08Å; D25-Y41 PolarHBondContact OD2-OH 3.16Å | ||
| 26 | I | 94.9 | Very high | 96.1 | Very high | 19 Ų | 19 | 49.5 Ų | 49.5 | 10% | 0.097 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.8 | -37.7 | -172.2 | -67.8 | -53.4 | 0 | 0 | 0 | 112.7 | T24 S28 L29 Y30 H84 V86 | T24-I26 PolarHBondContact O-N 3.11Å; I26-S28 PolarHBondContact O-N 2.66Å; I26-L29 PolarHBondContact O-N 3.37Å; I26-Y30 HydrophobicContact CD1-CE1 4.29Å; I26-Y30 HydrophobicContact CD1-CE2 4.19Å; I26-Y30 HydrophobicContact CG2-CD2 3.27Å; I26-Y30 HydrophobicContact CG2-CE2 3.51Å; I26-Y30 HydrophobicContact CG2-CG 3.83Å; I26-Y30 WeakPolarHBondContact O-CB 3.36Å; I26-Y30 PolarHBondContact O-N 3.49Å; I26-H84 VanDerWaalsContact CG1-C 3.44Å; I26-H84 WeakPolarHBondContact CG1-O 3.39Å; I26-V86 HydrophobicContact CD1-CG2 4.13Å |
| 27 | S | 94.1 | Very high | 96 | Very high | 63 Ų | 63 | 44.4 Ų | 44.4 | 44% | 0.441 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58 | -37.6 | 176.6 | -170.8 | 0 | 0 | 0 | 0 | 111.9 | D25 K32 A33 | D25-S27 VanDerWaalsContact C-N 3.28Å; D25-S27 PolarHBondContact O-N 2.91Å; S27-K32 CarbonylContact O-C 3.59Å; S27-K32 WeakPolarHBondContact O-CA 3.48Å; S27-K32 VanDerWaalsContact O-CB 3.3Å; S27-K32 WeakPolarHBondContact O-CB 3.41Å; S27-K32 PolarHBondContact O-N 3.36Å; S27-A33 PolarHBondContact O-N 3.12Å |
| 28 | S | 95 | Very high | 95.8 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -75.6 | -48.7 | 177.1 | 74.3 | 0 | 0 | 0 | 0 | 111.4 | D25 I26 Y30 A31 I45 | D25-S28 WeakPolarHBondContact CB-OG 3.26Å; D25-S28 WeakPolarHBondContact O-CB 3.43Å; D25-S28 PolarHBondContact O-N 3.2Å; D25-S28 PolarHBondContact O-OG 3.18Å; I26-S28 PolarHBondContact O-N 2.66Å; S28-Y30 PolarHBondContact O-N 3.39Å; S28-A31 PolarHBondContact O-N 2.85Å; S28-I45 WeakPolarHBondContact O-CD1 3.33Å |
| 29 | L | 95.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.8 | -31.6 | -174 | -69.8 | 173.8 | 0 | 0 | 0 | 113.4 | S23 D25 I26 A31 Y41 A55 I58 V59 V86 | S23-L29 WeakPolarHBondContact OG-CD1 3.43Å; D25-L29 PolarHBondContact O-N 2.92Å; D25-L29 VanDerWaalsContact O-N 3.08Å; I26-L29 PolarHBondContact O-N 3.37Å; L29-A31 PolarHBondContact O-N 3.2Å; L29-Y41 HydrophobicContact CD2-CD1 4.32Å; L29-Y41 HydrophobicContact CD2-CD2 4.08Å; L29-Y41 HydrophobicContact CD2-CE1 4.06Å; L29-Y41 HydrophobicContact CD2-CE2 3.81Å; L29-Y41 HydrophobicContact CD2-CG 4.34Å; L29-Y41 HydrophobicContact CG-CE2 4.17Å; L29-A55 HydrophobicContact CB-CB 3.81Å; L29-I58 HydrophobicContact CD2-CB 4.01Å; L29-I58 HydrophobicContact CD2-CD1 4.22Å; L29-I58 HydrophobicContact CD2-CG2 3.65Å; L29-V59 HydrophobicContact CD1-CG2 3.74Å; L29-V59 HydrophobicContact CD2-CG2 3.91Å; L29-V86 HydrophobicContact CD1-CB 4.24Å; L29-V86 HydrophobicContact CD1-CG2 3.85Å |
| 30 | Y | 96.5 | Very high | 95.5 | Very high | 12 Ų | 12 | 59.3 Ų | 59.3 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 26 | 177.4 | -63.7 | -4.8 | 0 | 0 | 0 | 112.4 | I26 S28 K32 Y51 K52 A55 L82 V86 | I26-Y30 HydrophobicContact CD1-CE1 4.29Å; I26-Y30 HydrophobicContact CD1-CE2 4.19Å; I26-Y30 HydrophobicContact CG2-CD2 3.27Å; I26-Y30 HydrophobicContact CG2-CE2 3.51Å; I26-Y30 HydrophobicContact CG2-CG 3.83Å; I26-Y30 WeakPolarHBondContact O-CB 3.36Å; I26-Y30 PolarHBondContact O-N 3.49Å; S28-Y30 PolarHBondContact O-N 3.39Å; Y30-K32 PolarHBondContact O-N 3.3Å; Y30-Y51 AromaticContact CD1-CD2 3.49Å; Y30-Y51 HydrophobicContact CD1-CD2 3.49Å; Y30-Y51 VanDerWaalsContact CD1-CD2 3.49Å; Y30-Y51 AromaticContact CD1-CE2 3.93Å; Y30-Y51 HydrophobicContact CD1-CE2 3.93Å; Y30-Y51 AromaticContact CD2-CD2 3.74Å; Y30-Y51 HydrophobicContact CD2-CD2 3.74Å; Y30-Y51 AromaticContact CD2-CE2 3.37Å; Y30-Y51 HydrophobicContact CD2-CE2 3.37Å; Y30-Y51 AromaticContact CE1-CD2 3.92Å; Y30-Y51 HydrophobicContact CE1-CD2 3.92Å; Y30-Y51 HydrophobicContact CE1-CE2 4.1Å; Y30-Y51 HydrophobicContact CE2-CD2 4.2Å; Y30-Y51 AromaticContact CE2-CE2 3.61Å; Y30-Y51 HydrophobicContact CE2-CE2 3.61Å; Y30-Y51 AromaticContact CG-CD2 3.39Å; Y30-Y51 HydrophobicContact CG-CD2 3.39Å; Y30-Y51 AromaticContact CG-CE2 3.57Å; Y30-Y51 HydrophobicContact CG-CE2 3.57Å; Y30-Y51 AromaticContact CZ-CE2 3.96Å; Y30-K52 HydrophobicContact CE1-CG 4.38Å; Y30-A55 HydrophobicContact CD1-CB 3.71Å; Y30-A55 HydrophobicContact CE1-CB 3.48Å; Y30-A55 VanDerWaalsContact CE1-CB 3.48Å; Y30-L82 PolarHBondContact OH-O 2.96Å; Y30-V86 HydrophobicContact CE1-CG2 4.48Å |
| 31 | A | 94.8 | Very high | 95.4 | Very high | 14 Ų | 14 | 55.8 Ų | 55.8 | 12% | 0.116 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 20.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | S28 L29 I45 V46 R47 | S28-A31 PolarHBondContact O-N 2.85Å; L29-A31 PolarHBondContact O-N 3.2Å; A31-I45 HydrophobicContact CB-CD1 3.85Å; A31-I45 HydrophobicContact CB-CG1 4.1Å; A31-V46 VanDerWaalsContact CB-C 3.43Å; A31-V46 WeakPolarHBondContact CB-O 3.35Å; A31-R47 HydrophobicContact CB-CB 4.46Å |
| 32 | K | 94.9 | Very high | 95.2 | Very high | 146 Ų | 146 | 57.5 Ų | 57.5 | 64% | 0.635 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -77.4 | -30.9 | 172.2 | -60.2 | 179.4 | 177.7 | 178 | 0 | 111.8 | S27 Y30 | S27-K32 CarbonylContact O-C 3.59Å; S27-K32 WeakPolarHBondContact O-CA 3.48Å; S27-K32 VanDerWaalsContact O-CB 3.3Å; S27-K32 WeakPolarHBondContact O-CB 3.41Å; S27-K32 PolarHBondContact O-N 3.36Å; Y30-K32 PolarHBondContact O-N 3.3Å |
| 33 | A | 95.8 | Very high | 95.1 | Very high | 15 Ų | 15 | 54.1 Ų | 54.1 | 12% | 0.124 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -132 | 72.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | S27 H35 V36 A37 | S27-A33 PolarHBondContact O-N 3.12Å; A33-H35 VanDerWaalsContact C-N 3.28Å; A33-H35 PolarHBondContact O-N 3.48Å; A33-V36 HydrophobicContact CB-CB 4.24Å; A33-V36 HydrophobicContact CB-CG2 3.91Å; A33-V36 WeakPolarHBondContact O-CB 3.36Å; A33-V36 PolarHBondContact O-N 3.21Å; A33-A37 PolarHBondContact O-N 2.93Å |
| 34 | Q | 95.5 | Very high | 95.1 | Very high | 93 Ų | 93 | 58.4 Ų | 58.4 | 44% | 0.435 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.7 | -36.5 | -174.5 | -64.6 | 165.8 | -48.2 | 0 | 0 | 113.7 | V36 A37 R38 I45 | Q34-V36 PolarHBondContact O-N 2.92Å; Q34-A37 WeakPolarHBondContact O-CB 3.01Å; Q34-A37 PolarHBondContact O-N 3Å; Q34-A37 VanDerWaalsContact O-N 3.12Å; Q34-R38 PolarHBondContact O-N 3.35Å; Q34-I45 WeakPolarHBondContact CG-O 3.29Å; Q34-I45 PolarHBondContact NE2-O 3.44Å |
| 35 | H | 95.6 | Very high | 95.1 | Very high | 121 Ų | 121 | 53.5 Ų | 53.5 | 56% | 0.56 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63 | -31.7 | 177 | 65.8 | -87.3 | 0 | 0 | 0 | 112.3 | A33 R39 | A33-H35 VanDerWaalsContact C-N 3.28Å; A33-H35 PolarHBondContact O-N 3.48Å; H35-R39 WeakPolarHBondContact O-CG 3.41Å; H35-R39 PolarHBondContact O-N 3.44Å; H35-R39 VanDerWaalsContact O-N 3.1Å |
| 36 | V | 95.5 | Very high | 95.2 | Very high | 28 Ų | 28 | 52.9 Ų | 52.9 | 17% | 0.17 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72 | -41.7 | 173.5 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | A33 Q34 R38 R39 H40 | A33-V36 HydrophobicContact CB-CB 4.24Å; A33-V36 HydrophobicContact CB-CG2 3.91Å; A33-V36 WeakPolarHBondContact O-CB 3.36Å; A33-V36 PolarHBondContact O-N 3.21Å; Q34-V36 PolarHBondContact O-N 2.92Å; V36-R38 VanDerWaalsContact C-N 3.29Å; V36-R38 PolarHBondContact O-N 2.88Å; V36-R39 PolarHBondContact O-N 2.79Å; V36-H40 WeakPolarHBondContact CG1-CD2 3.44Å; V36-H40 PolarHBondContact O-N 3.01Å |
| 37 | A | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | A33 Q34 Y41 G42 I45 | A33-A37 PolarHBondContact O-N 2.93Å; Q34-A37 WeakPolarHBondContact O-CB 3.01Å; Q34-A37 PolarHBondContact O-N 3Å; Q34-A37 VanDerWaalsContact O-N 3.12Å; A37-Y41 WeakPolarHBondContact O-CA 2.99Å; A37-Y41 WeakPolarHBondContact O-CB 3.34Å; A37-Y41 PolarHBondContact O-N 3.06Å; A37-G42 PolarHBondContact O-N 3.23Å; A37-I45 HydrophobicContact CB-CD1 4.09Å; A37-I45 HydrophobicContact CB-CG1 4.29Å |
| 38 | R | 95.6 | Very high | 95.2 | Very high | 186 Ų | 186 | 57.5 Ų | 57.5 | 70% | 0.702 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.3 | -44.4 | 175 | -171 | 175.7 | -178 | 179.5 | 1.5 | 112.5 | Q34 V36 G42 C43 | Q34-R38 PolarHBondContact O-N 3.35Å; V36-R38 VanDerWaalsContact C-N 3.29Å; V36-R38 PolarHBondContact O-N 2.88Å; R38-G42 WeakPolarHBondContact O-CA 3.38Å; R38-G42 PolarHBondContact O-N 3.18Å; R38-C43 WeakPolarHBondContact CA-O 3.23Å; R38-C43 PolarHBondContact N-O 2.86Å |
| 39 | R | 94.9 | Very high | 95.2 | Very high | 177 Ų | 177 | 65 Ų | 65 | 67% | 0.668 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -71 | -43.1 | -179.8 | -72.6 | -170.6 | -55.1 | -170.3 | 3.4 | 113.5 | H35 V36 | H35-R39 WeakPolarHBondContact O-CG 3.41Å; H35-R39 PolarHBondContact O-N 3.44Å; H35-R39 VanDerWaalsContact O-N 3.1Å; V36-R39 PolarHBondContact O-N 2.79Å |
| 40 | H | 93.9 | Very high | 95.1 | Very high | 63 Ų | 63 | 66.1 Ų | 66.1 | 29% | 0.292 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -88.3 | -35.8 | -173.2 | -70.5 | -27.1 | 0 | 0 | 0 | 113.2 | T1 V3 V36 | T1-H40 HydrophobicContact CG2-CB 4.13Å; V3-H40 WeakPolarHBondContact CG1-O 3.44Å; V36-H40 WeakPolarHBondContact CG1-CD2 3.44Å; V36-H40 PolarHBondContact O-N 3.01Å |
| 41 | Y | 95.6 | Very high | 95.1 | Very high | 5 Ų | 5 | 68.7 Ų | 68.7 | 2% | 0.02 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -113 | -11.3 | -175.6 | -55.9 | -89.1 | 0 | 0 | 0 | 112.9 | T1 V3 S23 D25 L29 A37 C43 I58 V59 A62 R65 | T1-Y41 PolarHBondContact OG1-OH 3.46Å; V3-Y41 HydrophobicContact CG2-CD1 3.65Å; V3-Y41 HydrophobicContact CG2-CE1 3.35Å; S23-Y41 PolarHBondContact OG-OH 2.81Å; D25-Y41 PolarHBondContact OD2-OH 3.16Å; L29-Y41 HydrophobicContact CD2-CD1 4.32Å; L29-Y41 HydrophobicContact CD2-CD2 4.08Å; L29-Y41 HydrophobicContact CD2-CE1 4.06Å; L29-Y41 HydrophobicContact CD2-CE2 3.81Å; L29-Y41 HydrophobicContact CD2-CG 4.34Å; L29-Y41 HydrophobicContact CG-CE2 4.17Å; A37-Y41 WeakPolarHBondContact O-CA 2.99Å; A37-Y41 WeakPolarHBondContact O-CB 3.34Å; A37-Y41 PolarHBondContact O-N 3.06Å; Y41-C43 VanDerWaalsContact C-N 3.26Å; Y41-C43 PolarHBondContact O-N 2.71Å; Y41-I58 VanDerWaalsContact CB-CG2 3.4Å; Y41-I58 HydrophobicContact CD1-CG2 3.73Å; Y41-I58 HydrophobicContact CD2-CG2 4.25Å; Y41-I58 HydrophobicContact CG-CG2 3.52Å; Y41-V59 HydrophobicContact CE1-CG2 4.1Å; Y41-A62 HydrophobicContact CD1-CB 3.99Å; Y41-R65 PolarHBondContact O-NH2 2.84Å |
| 42 | G | 94.6 | Very high | 95.2 | Very high | 45 Ų | 45 | 72.3 Ų | 72.3 | 46% | 0.464 | 33% | 0.329 | S | S | . | . | trans | 69.8 | 22.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A37 R38 P153 | A37-G42 PolarHBondContact O-N 3.23Å; R38-G42 WeakPolarHBondContact O-CA 3.38Å; R38-G42 PolarHBondContact O-N 3.18Å; G42-P153 WeakPolarHBondContact O-CD 2.82Å | ||
| 43 | C | 93.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | trans | -113.1 | 145.8 | -178.8 | 67.8 | 0 | 0 | 0 | 0 | 112.7 | R38 Y41 I45 I58 G152 | R38-C43 WeakPolarHBondContact CA-O 3.23Å; R38-C43 PolarHBondContact N-O 2.86Å; Y41-C43 VanDerWaalsContact C-N 3.26Å; Y41-C43 PolarHBondContact O-N 2.71Å; C43-I45 HydrophobicContact CB-CG2 4.46Å; C43-I58 HydrophobicContact CB-CG1 4.43Å; C43-I58 HydrophobicContact CB-CG2 4.45Å; C43-I58 VanDerWaalsContact SG-CG2 3.57Å; C43-G152 CarbonylContact C-O 3.49Å; C43-G152 VanDerWaalsContact CA-O 3.29Å; C43-G152 WeakPolarHBondContact CA-O 2.94Å | ||
| 44 | N | 95.6 | Very high | 95.3 | Very high | 90 Ų | 90 | 68 Ų | 68 | 48% | 0.481 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | -97.3 | 127.2 | 165.3 | -175.3 | 54.2 | 0 | 0 | 0 | 109.5 | E150 L151 G152 | N44-E150 PolarHBondContact ND2-O 3.18Å; N44-L151 CarbonylContact O-C 3.56Å; N44-L151 WeakPolarHBondContact O-CA 3.38Å; N44-G152 PolarHBondContact N-O 2.8Å; N44-G152 PolarHBondContact O-N 3.13Å |
| 45 | I | 95.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | trans | -142.4 | 159.1 | -178.2 | 59.7 | 170 | 0 | 0 | 0 | 111 | S28 A31 Q34 A37 C43 L54 I58 | S28-I45 WeakPolarHBondContact O-CD1 3.33Å; A31-I45 HydrophobicContact CB-CD1 3.85Å; A31-I45 HydrophobicContact CB-CG1 4.1Å; Q34-I45 WeakPolarHBondContact CG-O 3.29Å; Q34-I45 PolarHBondContact NE2-O 3.44Å; A37-I45 HydrophobicContact CB-CD1 4.09Å; A37-I45 HydrophobicContact CB-CG1 4.29Å; C43-I45 HydrophobicContact CB-CG2 4.46Å; I45-L54 HydrophobicContact CB-CD2 4.01Å; I45-L54 HydrophobicContact CG2-CD2 3.89Å; I45-L54 HydrophobicContact CG2-CG 4.22Å; I45-I58 HydrophobicContact CD1-CD1 3.82Å; I45-I58 HydrophobicContact CG2-CD1 3.7Å; I45-I58 HydrophobicContact CG2-CG1 4.3Å | ||
| 46 | V | 95.2 | Very high | 95.6 | Very high | 27 Ų | 27 | 58 Ų | 58 | 16% | 0.164 | 26% | 0.263 | C | S | . | . | trans | -125.5 | 172.2 | 168.5 | -55 | 0 | 0 | 0 | 0 | 109.8 | A31 T48 I149 L151 | A31-V46 VanDerWaalsContact CB-C 3.43Å; A31-V46 WeakPolarHBondContact CB-O 3.35Å; V46-T48 HydrophobicContact CG2-CG2 3.93Å; V46-T48 PolarHBondContact O-N 3.37Å; V46-I149 HydrophobicContact CB-CD1 4.2Å; V46-I149 HydrophobicContact CG1-CD1 3.61Å; V46-I149 HydrophobicContact CG2-CD1 3.52Å; V46-L151 HydrophobicContact CB-CD2 4.47Å; V46-L151 HydrophobicContact CG1-CD2 4.2Å; V46-L151 HydrophobicContact CG2-CD2 3.95Å | ||
| 47 | R | 93.4 | Very high | 95.7 | Very high | 173 Ų | 173 | 58.1 Ų | 58.1 | 65% | 0.653 | 26% | 0.261 | S | S | * | . | trans | -72.3 | 126.4 | 171.5 | -169.1 | -179.8 | -179.7 | 97.1 | -1.1 | 109.3 | A31 | A31-R47 HydrophobicContact CB-CB 4.46Š| ||
| 48 | T | 95 | Very high | 95.8 | Very high | 7 Ų | 7 | 58.1 Ų | 58.1 | 4% | 0.043 | 26% | 0.261 | C | S | . | . | trans | -133.3 | 165.4 | 177.4 | 64.1 | 0 | 0 | 0 | 0 | 109 | V46 Y50 Y51 L151 | V46-T48 HydrophobicContact CG2-CG2 3.93Å; V46-T48 PolarHBondContact O-N 3.37Å; T48-Y50 VanDerWaalsContact C-N 3.27Å; T48-Y50 HydrophobicContact CG2-CE1 3.95Å; T48-Y50 HydrophobicContact CG2-CE2 4.45Å; T48-Y50 PolarHBondContact O-N 2.99Å; T48-Y51 WeakPolarHBondContact O-CB 3.41Å; T48-Y51 VanDerWaalsContact O-CD1 3.3Å; T48-Y51 WeakPolarHBondContact O-CD1 3.42Å; T48-Y51 PolarHBondContact O-N 3.03Å; T48-Y51 PolarHBondContact OG1-N 3.4Å; T48-L151 HydrophobicContact CG2-CD1 4.29Å | ||
| 49 | E | 95.4 | Very high | 95.9 | Very high | 161 Ų | 161 | 49.4 Ų | 49.4 | 75% | 0.752 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -30.7 | 175.4 | -64.4 | 175.3 | 159.3 | 0 | 0 | 111.9 | Y51 E116 | E49-Y51 VanDerWaalsContact C-N 3.29Å; E49-Y51 PolarHBondContact O-N 3.16Å; E49-E116 WeakPolarHBondContact CB-OE2 3.38Å; E49-E116 VanDerWaalsContact CG-OE1 3.31Å; E49-E116 WeakPolarHBondContact CG-OE1 3.41Å; E49-E116 PolarHBondContact N-OE1 2.78Å; E49-E116 PolarHBondContact N-OE2 3.48Å |
| 50 | Y | 95.1 | Very high | 96.1 | Very high | 24 Ų | 24 | 41 Ų | 41 | 9% | 0.094 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 25.7 | 178.1 | 60.6 | -85.5 | 0 | 0 | 0 | 113.8 | T48 K52 E53 L54 L109 H111 E116 | T48-Y50 VanDerWaalsContact C-N 3.27Å; T48-Y50 HydrophobicContact CG2-CE1 3.95Å; T48-Y50 HydrophobicContact CG2-CE2 4.45Å; T48-Y50 PolarHBondContact O-N 2.99Å; Y50-K52 PolarHBondContact O-N 3Å; Y50-K52 VanDerWaalsContact O-N 3.09Å; Y50-E53 WeakPolarHBondContact O-CB 3.49Å; Y50-E53 PolarHBondContact O-N 3.24Å; Y50-L54 HydrophobicContact CD2-CB 4.4Å; Y50-L54 PolarHBondContact O-N 2.87Å; Y50-L109 HydrophobicContact CE2-CD2 4.02Å; Y50-H111 AromaticContact CE1-CE1 3.95Å; Y50-H111 AromaticContact CE1-ND1 3.89Å; Y50-H111 AromaticContact CZ-ND1 3.88Å; Y50-H111 VanDerWaalsContact OH-CG 3.3Å; Y50-H111 PolarHBondContact OH-ND1 2.97Å; Y50-E116 WeakPolarHBondContact CD1-OE2 3.49Å |
| 51 | Y | 96.2 | Very high | 96.3 | Very high | 65 Ų | 65 | 38 Ų | 38 | 26% | 0.255 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57.3 | -28.6 | -174.9 | 68.4 | -91.3 | 0 | 0 | 0 | 114.2 | Y30 T48 E49 L54 A55 | Y30-Y51 AromaticContact CD1-CD2 3.49Å; Y30-Y51 HydrophobicContact CD1-CD2 3.49Å; Y30-Y51 VanDerWaalsContact CD1-CD2 3.49Å; Y30-Y51 AromaticContact CD1-CE2 3.93Å; Y30-Y51 HydrophobicContact CD1-CE2 3.93Å; Y30-Y51 AromaticContact CD2-CD2 3.74Å; Y30-Y51 HydrophobicContact CD2-CD2 3.74Å; Y30-Y51 AromaticContact CD2-CE2 3.37Å; Y30-Y51 HydrophobicContact CD2-CE2 3.37Å; Y30-Y51 AromaticContact CE1-CD2 3.92Å; Y30-Y51 HydrophobicContact CE1-CD2 3.92Å; Y30-Y51 HydrophobicContact CE1-CE2 4.1Å; Y30-Y51 HydrophobicContact CE2-CD2 4.2Å; Y30-Y51 AromaticContact CE2-CE2 3.61Å; Y30-Y51 HydrophobicContact CE2-CE2 3.61Å; Y30-Y51 AromaticContact CG-CD2 3.39Å; Y30-Y51 HydrophobicContact CG-CD2 3.39Å; Y30-Y51 AromaticContact CG-CE2 3.57Å; Y30-Y51 HydrophobicContact CG-CE2 3.57Å; Y30-Y51 AromaticContact CZ-CE2 3.96Å; T48-Y51 WeakPolarHBondContact O-CB 3.41Å; T48-Y51 VanDerWaalsContact O-CD1 3.3Å; T48-Y51 WeakPolarHBondContact O-CD1 3.42Å; T48-Y51 PolarHBondContact O-N 3.03Å; T48-Y51 PolarHBondContact OG1-N 3.4Å; E49-Y51 VanDerWaalsContact C-N 3.29Å; E49-Y51 PolarHBondContact O-N 3.16Å; Y51-L54 PolarHBondContact O-N 3.46Å; Y51-A55 WeakPolarHBondContact O-CB 3.48Å; Y51-A55 PolarHBondContact O-N 3.06Å |
| 52 | K | 96.6 | Very high | 96.4 | Very high | 90 Ų | 90 | 38 Ų | 38 | 39% | 0.391 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.2 | -44 | 176 | -66.8 | -171.5 | -179.7 | 176.5 | 0 | 111.5 | Y30 Y50 A55 A56 A81 | Y30-K52 HydrophobicContact CE1-CG 4.38Å; Y50-K52 PolarHBondContact O-N 3Å; Y50-K52 VanDerWaalsContact O-N 3.09Å; K52-A55 WeakPolarHBondContact O-CB 3.43Å; K52-A55 PolarHBondContact O-N 3.21Å; K52-A56 PolarHBondContact O-N 2.88Å; K52-A56 VanDerWaalsContact O-N 3.13Å; K52-A81 HydrophobicContact CB-CB 3.91Å; K52-A81 WeakPolarHBondContact O-CB 3.43Å |
| 53 | E | 96.2 | Very high | 96.6 | Very high | 69 Ų | 69 | 35.9 Ų | 35.9 | 32% | 0.322 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -65.1 | -43.7 | 174.5 | -170.4 | -167.1 | 153.5 | 0 | 0 | 110.5 | Y50 A55 A56 R57 L159 | Y50-E53 WeakPolarHBondContact O-CB 3.49Å; Y50-E53 PolarHBondContact O-N 3.24Å; E53-A55 VanDerWaalsContact C-N 3.29Å; E53-A55 PolarHBondContact O-N 2.79Å; E53-A56 WeakPolarHBondContact O-CB 3.31Å; E53-A56 PolarHBondContact O-N 2.95Å; E53-A56 VanDerWaalsContact O-N 3.15Å; E53-R57 WeakPolarHBondContact O-CG 3.43Å; E53-R57 PolarHBondContact O-N 3.48Å; E53-R57 IonicContact OE1-CZ 2.71Å; E53-R57 IonicContact OE1-NE 2.74Å; E53-R57 PolarHBondContact OE1-NE 3.06Å; E53-R57 IonicContact OE1-NH2 3.2Å; E53-R57 PolarHBondContact OE1-NH2 3.14Å; E53-L159 HydrophobicContact CG-CD1 3.93Å |
| 54 | L | 97 | Very high | 96.8 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56 | -46.2 | 176.9 | -170.4 | 62.6 | 0 | 0 | 0 | 110.8 | I45 Y50 Y51 A56 R57 I58 L109 L151 L154 | I45-L54 HydrophobicContact CB-CD2 4.01Å; I45-L54 HydrophobicContact CG2-CD2 3.89Å; I45-L54 HydrophobicContact CG2-CG 4.22Å; Y50-L54 HydrophobicContact CD2-CB 4.4Å; Y50-L54 PolarHBondContact O-N 2.87Å; Y51-L54 PolarHBondContact O-N 3.46Å; L54-A56 PolarHBondContact O-N 3.22Å; L54-R57 PolarHBondContact O-N 2.82Å; L54-I58 HydrophobicContact CG-CD1 4.32Å; L54-I58 WeakPolarHBondContact O-CG1 3.35Å; L54-I58 PolarHBondContact O-N 3.28Å; L54-L109 HydrophobicContact CD1-CD2 4.48Å; L54-L151 HydrophobicContact CD2-CD1 4.43Å; L54-L154 HydrophobicContact CD1-CD1 3.27Å; L54-L154 HydrophobicContact CD1-CD2 3.62Å; L54-L154 HydrophobicContact CD1-CG 4.06Å; L54-L154 HydrophobicContact CG-CD2 4.47Å |
| 55 | A | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.7 | -45 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | L29 Y30 Y51 K52 E53 R57 I58 V59 V86 | L29-A55 HydrophobicContact CB-CB 3.81Å; Y30-A55 HydrophobicContact CD1-CB 3.71Å; Y30-A55 HydrophobicContact CE1-CB 3.48Å; Y30-A55 VanDerWaalsContact CE1-CB 3.48Å; Y51-A55 WeakPolarHBondContact O-CB 3.48Å; Y51-A55 PolarHBondContact O-N 3.06Å; K52-A55 WeakPolarHBondContact O-CB 3.43Å; K52-A55 PolarHBondContact O-N 3.21Å; E53-A55 VanDerWaalsContact C-N 3.29Å; E53-A55 PolarHBondContact O-N 2.79Å; A55-R57 VanDerWaalsContact C-N 3.35Å; A55-R57 PolarHBondContact O-N 3.38Å; A55-I58 PolarHBondContact O-N 3.38Å; A55-V59 WeakPolarHBondContact O-CG2 3.49Å; A55-V59 PolarHBondContact O-N 3.42Å; A55-V59 VanDerWaalsContact O-N 3.13Å; A55-V86 HydrophobicContact CB-CG2 3.98Å |
| 56 | A | 97.9 | Very high | 97 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.2 | -47.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K52 E53 L54 I58 V59 V60 A79 A81 V86 L159 | K52-A56 PolarHBondContact O-N 2.88Å; K52-A56 VanDerWaalsContact O-N 3.13Å; E53-A56 WeakPolarHBondContact O-CB 3.31Å; E53-A56 PolarHBondContact O-N 2.95Å; E53-A56 VanDerWaalsContact O-N 3.15Å; L54-A56 PolarHBondContact O-N 3.22Å; A56-I58 VanDerWaalsContact C-N 3.34Å; A56-I58 PolarHBondContact O-N 2.82Å; A56-V59 PolarHBondContact O-N 2.88Å; A56-V60 VanDerWaalsContact O-CG2 3.29Å; A56-V60 WeakPolarHBondContact O-CG2 3.3Å; A56-V60 PolarHBondContact O-N 3.22Å; A56-A79 HydrophobicContact CB-CB 4.11Å; A56-A81 HydrophobicContact CB-CB 4.48Å; A56-V86 HydrophobicContact CB-CG1 4.42Å; A56-L159 HydrophobicContact CB-CD1 4.25Å; A56-L159 HydrophobicContact CB-CD2 4.44Å |
| 57 | R | 98.3 | Very high | 97.2 | Very high | 30 Ų | 30 | 33 Ų | 33 | 11% | 0.113 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.4 | -34 | 179.5 | -66.9 | 178.5 | 178.8 | -74.2 | -2.6 | 113.3 | E53 L54 A55 A61 L154 W155 S157 L159 | E53-R57 WeakPolarHBondContact O-CG 3.43Å; E53-R57 PolarHBondContact O-N 3.48Å; E53-R57 IonicContact OE1-CZ 2.71Å; E53-R57 IonicContact OE1-NE 2.74Å; E53-R57 PolarHBondContact OE1-NE 3.06Å; E53-R57 IonicContact OE1-NH2 3.2Å; E53-R57 PolarHBondContact OE1-NH2 3.14Å; L54-R57 PolarHBondContact O-N 2.82Å; A55-R57 VanDerWaalsContact C-N 3.35Å; A55-R57 PolarHBondContact O-N 3.38Å; R57-A61 VanDerWaalsContact O-CB 3.3Å; R57-A61 WeakPolarHBondContact O-CB 3.26Å; R57-A61 PolarHBondContact O-N 3.43Å; R57-L154 HydrophobicContact CB-CB 4.19Å; R57-L154 HydrophobicContact CB-CD2 4.44Å; R57-W155 HydrophobicContact CB-CB 4.27Å; R57-W155 WeakPolarHBondContact CD-O 3.32Å; R57-W155 WeakPolarHBondContact CG-O 3.49Å; R57-W155 PolarHBondContact NH1-O 3.41Å; R57-W155 PolarHBondContact O-N 3.35Å; R57-S157 PolarHBondContact NH1-O 3.17Å; R57-L159 HydrophobicContact CG-CD1 4.07Å; R57-L159 HydrophobicContact CG-CD2 4.02Å; R57-L159 HydrophobicContact CG-CG 4.4Å |
| 58 | I | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.4 | -48.2 | 174 | -67.4 | 163.5 | 0 | 0 | 0 | 110.7 | L29 Y41 C43 I45 L54 A55 A56 A61 A62 L154 | L29-I58 HydrophobicContact CD2-CB 4.01Å; L29-I58 HydrophobicContact CD2-CD1 4.22Å; L29-I58 HydrophobicContact CD2-CG2 3.65Å; Y41-I58 VanDerWaalsContact CB-CG2 3.4Å; Y41-I58 HydrophobicContact CD1-CG2 3.73Å; Y41-I58 HydrophobicContact CD2-CG2 4.25Å; Y41-I58 HydrophobicContact CG-CG2 3.52Å; C43-I58 HydrophobicContact CB-CG1 4.43Å; C43-I58 HydrophobicContact CB-CG2 4.45Å; C43-I58 VanDerWaalsContact SG-CG2 3.57Å; I45-I58 HydrophobicContact CD1-CD1 3.82Å; I45-I58 HydrophobicContact CG2-CD1 3.7Å; I45-I58 HydrophobicContact CG2-CG1 4.3Å; L54-I58 HydrophobicContact CG-CD1 4.32Å; L54-I58 WeakPolarHBondContact O-CG1 3.35Å; L54-I58 PolarHBondContact O-N 3.28Å; A55-I58 PolarHBondContact O-N 3.38Å; A56-I58 VanDerWaalsContact C-N 3.34Å; A56-I58 PolarHBondContact O-N 2.82Å; I58-A61 PolarHBondContact O-N 3.45Å; I58-A62 PolarHBondContact O-N 2.86Å; I58-L154 HydrophobicContact CG1-CD2 3.48Å; I58-L154 VanDerWaalsContact CG1-CD2 3.48Å |
| 59 | V | 98.1 | Very high | 97.5 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.018 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.6 | -45.5 | -179.4 | 177.7 | 0 | 0 | 0 | 0 | 110 | V21 L29 Y41 A55 A56 A61 A62 V63 V86 V88 | V21-V59 HydrophobicContact CG1-CG1 4.34Å; L29-V59 HydrophobicContact CD1-CG2 3.74Å; L29-V59 HydrophobicContact CD2-CG2 3.91Å; Y41-V59 HydrophobicContact CE1-CG2 4.1Å; A55-V59 WeakPolarHBondContact O-CG2 3.49Å; A55-V59 PolarHBondContact O-N 3.42Å; A55-V59 VanDerWaalsContact O-N 3.13Å; A56-V59 PolarHBondContact O-N 2.88Å; V59-A61 VanDerWaalsContact C-N 3.31Å; V59-A61 PolarHBondContact O-N 2.98Å; V59-A62 WeakPolarHBondContact O-CB 3.46Å; V59-A62 PolarHBondContact O-N 2.79Å; V59-A62 VanDerWaalsContact O-N 3.16Å; V59-V63 HydrophobicContact CG1-CG2 4.48Å; V59-V63 VanDerWaalsContact O-CG2 3.31Å; V59-V63 WeakPolarHBondContact O-CG2 3.5Å; V59-V63 PolarHBondContact O-N 3.35Å; V59-V86 HydrophobicContact CB-CG1 4.22Å; V59-V86 HydrophobicContact CG2-CB 4.23Å; V59-V86 HydrophobicContact CG2-CG1 3.87Å; V59-V88 HydrophobicContact CB-CG2 3.94Å; V59-V88 HydrophobicContact CG1-CB 4.11Å; V59-V88 HydrophobicContact CG1-CG2 3.64Å |
| 60 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.1 | -42.2 | 175.4 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | A56 A62 V63 A64 I74 V76 A79 V88 W155 L159 | A56-V60 VanDerWaalsContact O-CG2 3.29Å; A56-V60 WeakPolarHBondContact O-CG2 3.3Å; A56-V60 PolarHBondContact O-N 3.22Å; V60-A62 VanDerWaalsContact C-N 3.32Å; V60-A62 PolarHBondContact O-N 2.98Å; V60-V63 WeakPolarHBondContact O-CB 3.41Å; V60-V63 PolarHBondContact O-N 3.47Å; V60-A64 VanDerWaalsContact O-CB 3.3Å; V60-A64 WeakPolarHBondContact O-CB 3.43Å; V60-A64 PolarHBondContact O-N 2.88Å; V60-I74 HydrophobicContact CG1-CD1 3.97Å; V60-V76 HydrophobicContact CG1-CG2 3.69Å; V60-V76 HydrophobicContact CG2-CG2 4.49Å; V60-A79 HydrophobicContact CG2-CB 4.46Å; V60-V88 HydrophobicContact CG2-CB 4.39Å; V60-V88 HydrophobicContact CG2-CG1 3.69Å; V60-V88 HydrophobicContact CG2-CG2 3.72Å; V60-W155 HydrophobicContact CB-CB 3.8Å; V60-W155 HydrophobicContact CB-CD2 4.49Å; V60-W155 HydrophobicContact CB-CG 3.97Å; V60-W155 HydrophobicContact CG1-CB 3.68Å; V60-W155 HydrophobicContact CG1-CD2 3.42Å; V60-W155 VanDerWaalsContact CG1-CD2 3.42Å; V60-W155 HydrophobicContact CG1-CE3 3.86Å; V60-W155 HydrophobicContact CG1-CG 3.35Å; V60-L159 HydrophobicContact CG2-CD2 3.98Å |
| 61 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.7 | -37.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R57 I58 V59 A64 R65 I106 | R57-A61 VanDerWaalsContact O-CB 3.3Å; R57-A61 WeakPolarHBondContact O-CB 3.26Å; R57-A61 PolarHBondContact O-N 3.43Å; I58-A61 PolarHBondContact O-N 3.45Å; V59-A61 VanDerWaalsContact C-N 3.31Å; V59-A61 PolarHBondContact O-N 2.98Å; A61-A64 PolarHBondContact O-N 3.17Å; A61-R65 WeakPolarHBondContact O-CG 3.44Å; A61-R65 PolarHBondContact O-N 3.26Å; A61-I106 HydrophobicContact CB-CG2 4.46Å |
| 62 | A | 97.9 | Very high | 97.9 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 4% | 0.041 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.7 | -42.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V3 L6 Y41 I58 V59 V60 R65 A66 | V3-A62 HydrophobicContact CG2-CB 4.32Å; L6-A62 HydrophobicContact CD1-CB 4.36Å; Y41-A62 HydrophobicContact CD1-CB 3.99Å; I58-A62 PolarHBondContact O-N 2.86Å; V59-A62 WeakPolarHBondContact O-CB 3.46Å; V59-A62 PolarHBondContact O-N 2.79Å; V59-A62 VanDerWaalsContact O-N 3.16Å; V60-A62 VanDerWaalsContact C-N 3.32Å; V60-A62 PolarHBondContact O-N 2.98Å; A62-R65 PolarHBondContact O-N 3.03Å; A62-A66 PolarHBondContact O-N 2.97Å; A62-A66 VanDerWaalsContact O-N 3.12Å |
| 63 | V | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.8 | -46.6 | 174.1 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | L6 F10 V21 V59 V60 A66 A67 I74 V90 | L6-V63 HydrophobicContact CD1-CG2 4.19Å; L6-V63 HydrophobicContact CD2-CG2 4.11Å; F10-V63 HydrophobicContact CE2-CG1 3.75Å; F10-V63 WeakPolarHBondContact CE2-O 3.48Å; F10-V63 HydrophobicContact CZ-CG1 3.49Å; F10-V63 VanDerWaalsContact CZ-CG1 3.49Å; V21-V63 HydrophobicContact CB-CG2 4.38Å; V21-V63 HydrophobicContact CG2-CG2 3.95Å; V59-V63 HydrophobicContact CG1-CG2 4.48Å; V59-V63 VanDerWaalsContact O-CG2 3.31Å; V59-V63 WeakPolarHBondContact O-CG2 3.5Å; V59-V63 PolarHBondContact O-N 3.35Å; V60-V63 WeakPolarHBondContact O-CB 3.41Å; V60-V63 PolarHBondContact O-N 3.47Å; V63-A66 PolarHBondContact O-N 3.16Å; V63-A67 WeakPolarHBondContact O-CB 3.39Å; V63-A67 PolarHBondContact O-N 2.95Å; V63-I74 HydrophobicContact CG1-CD1 4.22Å; V63-I74 HydrophobicContact CG1-CG2 4.45Å; V63-V90 HydrophobicContact CG1-CG1 4.19Å; V63-V90 HydrophobicContact CG1-CG2 3.86Å |
| 64 | A | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.7 | -46.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V60 A61 A66 A67 A68 I74 T102 I106 W155 | V60-A64 VanDerWaalsContact O-CB 3.3Å; V60-A64 WeakPolarHBondContact O-CB 3.43Å; V60-A64 PolarHBondContact O-N 2.88Å; A61-A64 PolarHBondContact O-N 3.17Å; A64-A66 VanDerWaalsContact C-N 3.35Å; A64-A66 PolarHBondContact O-N 3.4Å; A64-A67 PolarHBondContact O-N 3.18Å; A64-A68 WeakPolarHBondContact O-CB 3.49Å; A64-A68 PolarHBondContact O-N 3.48Å; A64-I74 HydrophobicContact CB-CD1 3.74Å; A64-I74 HydrophobicContact CB-CG1 4.26Å; A64-T102 HydrophobicContact CB-CG2 3.73Å; A64-I106 HydrophobicContact CB-CD1 3.63Å; A64-I106 HydrophobicContact CB-CG1 4.1Å; A64-W155 HydrophobicContact CB-CE3 4.17Å; A64-W155 HydrophobicContact CB-CZ3 4.02Å |
| 65 | R | 97.9 | Very high | 98.1 | Very high | 59 Ų | 59 | 22.4 Ų | 22.4 | 22% | 0.223 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 176.1 | -75.6 | -172.7 | -72.4 | -83.1 | -2.2 | 112.3 | Y41 A61 A62 A68 R69 I106 | Y41-R65 PolarHBondContact O-NH2 2.84Å; A61-R65 WeakPolarHBondContact O-CG 3.44Å; A61-R65 PolarHBondContact O-N 3.26Å; A62-R65 PolarHBondContact O-N 3.03Å; R65-A68 PolarHBondContact O-N 3.48Å; R65-R69 WeakPolarHBondContact O-CG 3.35Å; R65-R69 PolarHBondContact O-N 3.27Å; R65-R69 PolarHBondContact O-NH1 3.34Å; R65-I106 HydrophobicContact CG-CD1 3.64Å |
| 66 | A | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.4 | -41.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | L6 F10 A62 V63 A64 | L6-A66 HydrophobicContact CB-CB 3.49Å; L6-A66 VanDerWaalsContact CB-CB 3.49Å; L6-A66 HydrophobicContact CD1-CB 4.25Å; L6-A66 HydrophobicContact CG-CB 4.49Å; F10-A66 HydrophobicContact CD2-CB 3.79Å; F10-A66 HydrophobicContact CE2-CB 4.22Å; A62-A66 PolarHBondContact O-N 2.97Å; A62-A66 VanDerWaalsContact O-N 3.12Å; V63-A66 PolarHBondContact O-N 3.16Å; A64-A66 VanDerWaalsContact C-N 3.35Å; A64-A66 PolarHBondContact O-N 3.4Å |
| 67 | A | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.7 | -47.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F10 V63 A64 R69 C70 K72 I74 | F10-A67 HydrophobicContact CD1-CB 3.58Å; F10-A67 HydrophobicContact CD2-CB 4.26Å; F10-A67 HydrophobicContact CE1-CB 3.5Å; F10-A67 VanDerWaalsContact CE1-CB 3.5Å; F10-A67 HydrophobicContact CE2-CB 4.21Å; F10-A67 HydrophobicContact CG-CB 3.99Å; F10-A67 HydrophobicContact CZ-CB 3.84Å; V63-A67 WeakPolarHBondContact O-CB 3.39Å; V63-A67 PolarHBondContact O-N 2.95Å; A64-A67 PolarHBondContact O-N 3.18Å; A67-R69 VanDerWaalsContact C-N 3.34Å; A67-R69 PolarHBondContact O-N 3.39Å; A67-C70 CarbonylContact O-C 3.51Å; A67-C70 WeakPolarHBondContact O-CA 3.18Å; A67-C70 WeakPolarHBondContact O-CB 3.37Å; A67-C70 PolarHBondContact O-N 3.41Å; A67-K72 CarbonylContact C-O 3.59Å; A67-K72 HydrophobicContact CB-CB 4.37Å; A67-K72 WeakPolarHBondContact CB-O 3.47Å; A67-K72 PolarHBondContact O-N 3.2Å; A67-K72 VanDerWaalsContact O-N 3.14Å; A67-K72 VanDerWaalsContact O-O 3.05Å; A67-I74 HydrophobicContact CB-CG2 3.59Å |
| 68 | A | 98 | Very high | 98.2 | Very high | 23 Ų | 23 | 22.3 Ų | 22.3 | 19% | 0.19 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.9 | -41 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A64 R65 C70 N71 K72 A99 | A64-A68 WeakPolarHBondContact O-CB 3.49Å; A64-A68 PolarHBondContact O-N 3.48Å; R65-A68 PolarHBondContact O-N 3.48Å; A68-C70 PolarHBondContact O-N 3.24Å; A68-N71 PolarHBondContact O-N 3.21Å; A68-K72 WeakPolarHBondContact CA-O 3.49Å; A68-K72 PolarHBondContact N-O 2.88Å; A68-A99 HydrophobicContact CB-CB 4.47Å |
| 69 | R | 97.2 | Very high | 98.2 | Very high | 145 Ų | 145 | 22.5 Ų | 22.5 | 55% | 0.547 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -22.1 | 172.6 | -74.8 | -168.8 | -64.6 | -91.2 | 12 | 113.8 | D7 R65 A67 | D7-R69 VanDerWaalsContact CG-NH2 3.27Å; D7-R69 IonicContact OD1-CZ 3.18Å; D7-R69 IonicContact OD1-NE 2.91Å; D7-R69 PolarHBondContact OD1-NE 3.09Å; D7-R69 IonicContact OD1-NH2 2.66Å; D7-R69 PolarHBondContact OD1-NH2 3.23Å; D7-R69 IonicContact OD2-CZ 3.87Å; D7-R69 IonicContact OD2-NE 3.74Å; D7-R69 IonicContact OD2-NH2 3.2Å; D7-R69 PolarHBondContact OD2-NH2 3.15Å; R65-R69 WeakPolarHBondContact O-CG 3.35Å; R65-R69 PolarHBondContact O-N 3.27Å; R65-R69 PolarHBondContact O-NH1 3.34Å; A67-R69 VanDerWaalsContact C-N 3.34Å; A67-R69 PolarHBondContact O-N 3.39Å |
| 70 | C | 97.6 | Very high | 98.2 | Very high | 23 Ų | 23 | 22.9 Ų | 22.9 | 16% | 0.155 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 17.6 | -179.1 | -59.3 | 0 | 0 | 0 | 0 | 113.2 | F10 A67 A68 K72 | F10-C70 HydrophobicContact CB-CB 4.26Å; A67-C70 CarbonylContact O-C 3.51Å; A67-C70 WeakPolarHBondContact O-CA 3.18Å; A67-C70 WeakPolarHBondContact O-CB 3.37Å; A67-C70 PolarHBondContact O-N 3.41Å; A68-C70 PolarHBondContact O-N 3.24Å; C70-K72 HydrophobicContact CB-CD 4.26Å; C70-K72 PolarHBondContact O-N 3.06Å |
| 71 | N | 97.9 | Very high | 98.1 | Very high | 100 Ų | 100 | 23.9 Ų | 23.9 | 54% | 0.535 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 42.5 | -173.4 | -66.5 | -39 | 0 | 0 | 0 | 112.4 | A68 G95 | A68-N71 PolarHBondContact O-N 3.21Å; N71-G95 CarbonylContact O-C 3.29Å; N71-G95 VanDerWaalsContact O-C 3.29Å; N71-G95 WeakPolarHBondContact O-CA 3.48Å; N71-G95 PolarHBondContact O-N 3.49Å |
| 72 | K | 98.6 | Very high | 97.9 | Very high | 23 Ų | 23 | 26.9 Ų | 26.9 | 10% | 0.1 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 139.5 | 177.8 | -69 | 168.6 | 175.4 | 104.4 | 0 | 110 | F10 R11 I13 A67 A68 C70 V92 L93 | F10-K72 VanDerWaalsContact O-CD 3.23Å; F10-K72 WeakPolarHBondContact O-CD 3.3Å; F10-K72 WeakPolarHBondContact O-CE 3.49Å; F10-K72 PolarHBondContact O-NZ 3.46Å; R11-K72 PolarHBondContact O-NZ 3Å; I13-K72 HydrophobicContact CG2-CD 4.27Å; I13-K72 WeakPolarHBondContact O-CE 3.41Å; A67-K72 CarbonylContact C-O 3.59Å; A67-K72 HydrophobicContact CB-CB 4.37Å; A67-K72 WeakPolarHBondContact CB-O 3.47Å; A67-K72 PolarHBondContact O-N 3.2Å; A67-K72 VanDerWaalsContact O-N 3.14Å; A67-K72 VanDerWaalsContact O-O 3.05Å; A68-K72 WeakPolarHBondContact CA-O 3.49Å; A68-K72 PolarHBondContact N-O 2.88Å; C70-K72 HydrophobicContact CB-CD 4.26Å; C70-K72 PolarHBondContact O-N 3.06Å; K72-V92 HydrophobicContact CB-CG1 3.95Å; K72-V92 HydrophobicContact CD-CG1 3.75Å; K72-V92 HydrophobicContact CG-CG1 4Å; K72-L93 CarbonylContact C-O 3.36Å; K72-L93 VanDerWaalsContact CA-O 3.3Å; K72-L93 WeakPolarHBondContact CA-O 3.45Å |
| 73 | G | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 173.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L93 S98 T102 | G73-L93 PolarHBondContact N-O 2.96Å; G73-L93 PolarHBondContact O-N 3.38Å; G73-S98 VanDerWaalsContact CA-O 3.23Å; G73-S98 WeakPolarHBondContact CA-O 3.26Å; G73-T102 WeakPolarHBondContact CA-OG1 3.46Å |
| 74 | I | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 145.8 | 174.5 | 65.6 | 165.7 | 0 | 0 | 0 | 112 | F10 V60 V63 A64 A67 V76 V90 R91 T102 W155 | F10-I74 HydrophobicContact CE1-CG2 4.01Å; F10-I74 HydrophobicContact CZ-CG2 4.11Å; V60-I74 HydrophobicContact CG1-CD1 3.97Å; V63-I74 HydrophobicContact CG1-CD1 4.22Å; V63-I74 HydrophobicContact CG1-CG2 4.45Å; A64-I74 HydrophobicContact CB-CD1 3.74Å; A64-I74 HydrophobicContact CB-CG1 4.26Å; A67-I74 HydrophobicContact CB-CG2 3.59Å; I74-V76 HydrophobicContact CD1-CG2 4.46Å; I74-V90 HydrophobicContact CB-CB 4.2Å; I74-V90 HydrophobicContact CB-CG2 4.43Å; I74-V90 HydrophobicContact CD1-CG1 4.08Å; I74-V90 HydrophobicContact CG2-CB 4.48Å; I74-V90 HydrophobicContact CG2-CG2 4.18Å; I74-R91 CarbonylContact C-O 3.48Å; I74-R91 WeakPolarHBondContact CA-O 3.48Å; I74-T102 HydrophobicContact CG1-CG2 3.73Å; I74-T102 PolarHBondContact N-OG1 2.8Å; I74-W155 HydrophobicContact CD1-CH2 4.28Å; I74-W155 HydrophobicContact CD1-CZ3 4.24Å; I74-W155 HydrophobicContact CG1-CH2 4.06Å; I74-W155 HydrophobicContact CG1-CZ3 4.28Å |
| 75 | E | 98.5 | Very high | 97.3 | Very high | 54 Ų | 54 | 43 Ų | 43 | 25% | 0.252 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119.9 | 162.9 | 179 | -165.6 | 176.2 | 0 | 0 | 107.4 | L77 V90 R91 L93 N161 | E75-L77 PolarHBondContact O-N 3.19Å; E75-V90 CarbonylContact O-C 3.53Å; E75-V90 VanDerWaalsContact O-CA 3.26Å; E75-V90 WeakPolarHBondContact O-CA 3.33Å; E75-R91 HydrophobicContact CB-CB 4.29Å; E75-R91 PolarHBondContact N-O 2.79Å; E75-R91 PolarHBondContact O-N 2.86Å; E75-R91 IonicContact OE1-NH1 2.8Å; E75-R91 IonicContact OE2-CZ 2.71Å; E75-R91 IonicContact OE2-NE 3.68Å; E75-R91 IonicContact OE2-NH1 3.6Å; E75-R91 PolarHBondContact OE2-NH1 3.28Å; E75-L93 HydrophobicContact CB-CD1 4.43Å; E75-N161 PolarHBondContact OE1-ND2 3.4Å |
| 76 | V | 98.6 | Very high | 97.3 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 7% | 0.067 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 122 | 176.4 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | V60 I74 V90 W155 L159 | V60-V76 HydrophobicContact CG1-CG2 3.69Å; V60-V76 HydrophobicContact CG2-CG2 4.49Å; I74-V76 HydrophobicContact CD1-CG2 4.46Å; V76-V90 HydrophobicContact CG2-CG1 4.36Å; V76-W155 HydrophobicContact CG2-CZ2 3.81Å; V76-L159 VanDerWaalsContact CG1-O 3.28Å; V76-L159 WeakPolarHBondContact CG1-O 3.45Å |
| 77 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -47.8 | 176.1 | -60.9 | -179.4 | 0 | 0 | 0 | 110.2 | I18 E75 V89 R91 N161 F164 | I18-L77 HydrophobicContact CD1-CD1 4.15Å; I18-L77 HydrophobicContact CG1-CD1 4.26Å; I18-L77 HydrophobicContact CG2-CD1 4.49Å; E75-L77 PolarHBondContact O-N 3.19Å; L77-V89 HydrophobicContact CB-CG1 4.5Å; L77-V89 WeakPolarHBondContact CB-O 3.44Å; L77-V89 HydrophobicContact CD1-CG1 4.18Å; L77-V89 PolarHBondContact N-O 2.66Å; L77-R91 HydrophobicContact CD1-CB 4.27Å; L77-R91 HydrophobicContact CD2-CB 4.18Å; L77-R91 HydrophobicContact CG-CB 4.27Å; L77-N161 PolarHBondContact O-N 3.1Å; L77-F164 HydrophobicContact CB-CD1 3.93Å; L77-F164 HydrophobicContact CB-CD2 4.47Å; L77-F164 HydrophobicContact CB-CE1 4.19Å; L77-F164 HydrophobicContact CB-CG 4.09Å; L77-F164 HydrophobicContact CD1-CD2 4.03Å; L77-F164 HydrophobicContact CD1-CE1 4.38Å; L77-F164 HydrophobicContact CD1-CE2 3.75Å; L77-F164 HydrophobicContact CD1-CG 4.47Å; L77-F164 HydrophobicContact CD1-CZ 3.94Å; L77-F164 HydrophobicContact CD2-CB 4.42Å; L77-F164 HydrophobicContact CD2-CD2 4.01Å; L77-F164 HydrophobicContact CD2-CG 4.17Å; L77-F164 HydrophobicContact CG-CD2 4.41Å; L77-F164 HydrophobicContact CG-CG 4.48Å |
| 78 | F | 98.3 | Very high | 97.3 | Very high | 21 Ų | 21 | 41.9 Ų | 41.9 | 9% | 0.092 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 157.5 | 166.9 | 66.6 | -85.8 | 0 | 0 | 0 | 110.5 | V80 L87 V89 L159 F160 F164 L165 M168 | F78-V80 HydrophobicContact CD2-CG2 3.93Å; F78-V80 HydrophobicContact CE2-CG2 4.25Å; F78-L87 HydrophobicContact CE2-CD2 3.88Å; F78-L87 HydrophobicContact CE2-CG 4.29Å; F78-L87 HydrophobicContact CZ-CD2 4.28Å; F78-V89 HydrophobicContact CD1-CB 4.01Å; F78-V89 HydrophobicContact CD1-CG2 4.29Å; F78-V89 HydrophobicContact CE1-CB 3.68Å; F78-V89 HydrophobicContact CE1-CG1 4.16Å; F78-V89 HydrophobicContact CE1-CG2 3.57Å; F78-V89 HydrophobicContact CE2-CG2 3.89Å; F78-V89 HydrophobicContact CZ-CB 4Å; F78-V89 HydrophobicContact CZ-CG2 3.35Å; F78-V89 PolarHBondContact N-O 2.87Å; F78-V89 PolarHBondContact O-N 3.28Å; F78-L159 CarbonylContact C-O 3.57Å; F78-L159 VanDerWaalsContact CA-O 3.26Å; F78-L159 WeakPolarHBondContact CA-O 3.3Å; F78-F160 HydrophobicContact CB-CD1 4.38Å; F78-F164 HydrophobicContact CD1-CD1 4.13Å; F78-F164 AromaticContact CD1-CE1 3.89Å; F78-F164 HydrophobicContact CD1-CE1 3.89Å; F78-F164 AromaticContact CE1-CE1 3.93Å; F78-F164 HydrophobicContact CE1-CE1 3.93Å; F78-L165 HydrophobicContact CB-CD2 3.8Å; F78-L165 HydrophobicContact CB-CG 4.43Å; F78-L165 HydrophobicContact CD1-CD2 4.49Å; F78-L165 HydrophobicContact CG-CD2 4.21Å; F78-M168 HydrophobicContact CD1-SD 4.4Å; F78-M168 HydrophobicContact CE1-CE 4.36Å; F78-M168 HydrophobicContact CE1-SD 3.88Å; F78-M168 HydrophobicContact CZ-CE 4.46Å; F78-M168 HydrophobicContact CZ-SD 4.28Å |
| 79 | A | 98.1 | Very high | 97.4 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 143 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | A56 V60 L87 V88 L159 F160 | A56-A79 HydrophobicContact CB-CB 4.11Å; V60-A79 HydrophobicContact CG2-CB 4.46Å; A79-L87 CarbonylContact C-O 3.51Å; A79-L87 VanDerWaalsContact CA-O 3.28Å; A79-L87 WeakPolarHBondContact CA-O 3.31Å; A79-V88 HydrophobicContact CB-CG2 4.01Å; A79-L159 HydrophobicContact CB-CB 4.35Å; A79-L159 HydrophobicContact CB-CD2 4.16Å; A79-L159 PolarHBondContact N-O 3.4Å; A79-F160 VanDerWaalsContact O-CE1 3.28Å; A79-F160 WeakPolarHBondContact O-CE1 3.43Å |
| 80 | V | 97.1 | Very high | 97.4 | Very high | 10 Ų | 10 | 34.4 Ų | 34.4 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 127.5 | -178.1 | 168.5 | 0 | 0 | 0 | 0 | 108.3 | F78 L82 V86 L87 L183 L187 | F78-V80 HydrophobicContact CD2-CG2 3.93Å; F78-V80 HydrophobicContact CE2-CG2 4.25Å; V80-L82 HydrophobicContact CG1-CD1 3.78Å; V80-L82 HydrophobicContact CG1-CD2 4.24Å; V80-L82 HydrophobicContact CG1-CG 3.61Å; V80-V86 CarbonylContact O-C 3.57Å; V80-V86 WeakPolarHBondContact O-CA 3.4Å; V80-L87 PolarHBondContact N-O 3.44Å; V80-L87 PolarHBondContact O-N 3.2Å; V80-L183 HydrophobicContact CG1-CD2 4.49Å; V80-L187 HydrophobicContact CG2-CD1 3.47Å; V80-L187 VanDerWaalsContact CG2-CD1 3.47Å; V80-L187 HydrophobicContact CG2-CD2 3.67Å; V80-L187 HydrophobicContact CG2-CG 4.18Å |
| 81 | A | 96.8 | Very high | 97.5 | Very high | 21 Ų | 21 | 36.2 Ų | 36.2 | 17% | 0.174 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 110.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | K52 A56 V86 | K52-A81 HydrophobicContact CB-CB 3.91Å; K52-A81 WeakPolarHBondContact O-CB 3.43Å; A56-A81 HydrophobicContact CB-CB 4.48Å; A81-V86 HydrophobicContact CB-CG2 4.08Å |
| 82 | L | 94.8 | Very high | 97.5 | Very high | 63 Ų | 63 | 31.5 Ų | 31.5 | 33% | 0.33 | 15% | 0.152 | S | C | . | . | trans | -115.3 | 174.1 | -179.4 | -65.6 | 172.5 | 0 | 0 | 0 | 110.3 | Y30 V80 H84 F85 | Y30-L82 PolarHBondContact OH-O 2.96Å; V80-L82 HydrophobicContact CG1-CD1 3.78Å; V80-L82 HydrophobicContact CG1-CD2 4.24Å; V80-L82 HydrophobicContact CG1-CG 3.61Å; L82-H84 PolarHBondContact O-N 2.73Å; L82-H84 VanDerWaalsContact O-N 3.14Å; L82-F85 HydrophobicContact CB-CE1 4.49Å; L82-F85 HydrophobicContact CD1-CE1 3.98Å; L82-F85 HydrophobicContact CD1-CE2 4.2Å; L82-F85 HydrophobicContact CD1-CZ 3.59Å; L82-F85 PolarHBondContact N-O 3.16Å | ||
| 83 | E | 92.7 | Very high | 97.5 | Very high | 142 Ų | 142 | 32.9 Ų | 32.9 | 66% | 0.664 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -55.9 | -36.1 | -174.2 | -172.2 | 171.6 | 174.6 | 0 | 0 | 113.7 | ||
| 84 | H | 93.8 | Very high | 97.5 | Very high | 135 Ų | 135 | 41.7 Ų | 41.7 | 63% | 0.625 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -107.4 | -15.7 | -172.5 | -55 | -48.9 | 0 | 0 | 0 | 114.8 | I26 L82 | I26-H84 VanDerWaalsContact CG1-C 3.44Å; I26-H84 WeakPolarHBondContact CG1-O 3.39Å; L82-H84 PolarHBondContact O-N 2.73Å; L82-H84 VanDerWaalsContact O-N 3.14Å |
| 85 | F | 96.4 | Very high | 97.4 | Very high | 68 Ų | 68 | 42.5 Ų | 42.5 | 30% | 0.298 | 20% | 0.202 | S | C | . | . | trans | -156.4 | 160 | -179.7 | 67.9 | -90.4 | 0 | 0 | 0 | 112.9 | T22 S23 T24 L82 L87 | T22-F85 HydrophobicContact CG2-CB 3.91Å; T22-F85 HydrophobicContact CG2-CD2 4.03Å; T22-F85 HydrophobicContact CG2-CG 4.17Å; S23-F85 CarbonylContact O-C 3.59Å; S23-F85 VanDerWaalsContact O-CA 3.31Å; S23-F85 WeakPolarHBondContact O-CA 3.49Å; T24-F85 HydrophobicContact CG2-CB 4.23Å; L82-F85 HydrophobicContact CB-CE1 4.49Å; L82-F85 HydrophobicContact CD1-CE1 3.98Å; L82-F85 HydrophobicContact CD1-CE2 4.2Å; L82-F85 HydrophobicContact CD1-CZ 3.59Å; L82-F85 PolarHBondContact N-O 3.16Å; F85-L87 HydrophobicContact CD2-CB 3.95Å; F85-L87 HydrophobicContact CE2-CB 3.77Å | ||
| 86 | V | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 125.3 | 165 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | T22 S23 I26 L29 Y30 A55 A56 V59 V80 A81 V88 | T22-V86 CarbonylContact C-O 3.59Å; T22-V86 WeakPolarHBondContact CA-O 3.49Å; S23-V86 PolarHBondContact N-O 2.84Å; S23-V86 PolarHBondContact O-N 2.74Å; I26-V86 HydrophobicContact CD1-CG2 4.13Å; L29-V86 HydrophobicContact CD1-CB 4.24Å; L29-V86 HydrophobicContact CD1-CG2 3.85Å; Y30-V86 HydrophobicContact CE1-CG2 4.48Å; A55-V86 HydrophobicContact CB-CG2 3.98Å; A56-V86 HydrophobicContact CB-CG1 4.42Å; V59-V86 HydrophobicContact CB-CG1 4.22Å; V59-V86 HydrophobicContact CG2-CB 4.23Å; V59-V86 HydrophobicContact CG2-CG1 3.87Å; V80-V86 CarbonylContact O-C 3.57Å; V80-V86 WeakPolarHBondContact O-CA 3.4Å; A81-V86 HydrophobicContact CB-CG2 4.08Å; V86-V88 HydrophobicContact CG1-CG2 4.29Å |
| 87 | L | 97.9 | Very high | 97.3 | Very high | 34 Ų | 34 | 47.8 Ų | 47.8 | 18% | 0.178 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.2 | 175.8 | 172.6 | 62.8 | 0 | 0 | 0 | 109.1 | S20 V21 F78 A79 V80 F85 V89 | S20-L87 WeakPolarHBondContact OG-CD1 3.3Å; V21-L87 WeakPolarHBondContact O-CA 3.23Å; F78-L87 HydrophobicContact CE2-CD2 3.88Å; F78-L87 HydrophobicContact CE2-CG 4.29Å; F78-L87 HydrophobicContact CZ-CD2 4.28Å; A79-L87 CarbonylContact C-O 3.51Å; A79-L87 VanDerWaalsContact CA-O 3.28Å; A79-L87 WeakPolarHBondContact CA-O 3.31Å; V80-L87 PolarHBondContact N-O 3.44Å; V80-L87 PolarHBondContact O-N 3.2Å; F85-L87 HydrophobicContact CD2-CB 3.95Å; F85-L87 HydrophobicContact CE2-CB 3.77Å; L87-V89 HydrophobicContact CD1-CG2 4.08Å; L87-V89 HydrophobicContact CG-CG2 4.18Å |
| 88 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.4 | 175.9 | 168.8 | 0 | 0 | 0 | 0 | 108.4 | V21 V59 V60 A79 V86 V90 | V21-V88 PolarHBondContact N-O 2.87Å; V21-V88 PolarHBondContact O-N 2.97Å; V59-V88 HydrophobicContact CB-CG2 3.94Å; V59-V88 HydrophobicContact CG1-CB 4.11Å; V59-V88 HydrophobicContact CG1-CG2 3.64Å; V60-V88 HydrophobicContact CG2-CB 4.39Å; V60-V88 HydrophobicContact CG2-CG1 3.69Å; V60-V88 HydrophobicContact CG2-CG2 3.72Å; A79-V88 HydrophobicContact CB-CG2 4.01Å; V86-V88 HydrophobicContact CG1-CG2 4.29Å; V88-V90 HydrophobicContact CG1-CG1 3.74Å |
| 89 | V | 98.6 | Very high | 97.3 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 123 | 176.5 | -172.7 | 0 | 0 | 0 | 0 | 109.2 | I18 V19 L77 F78 L87 | I18-V89 HydrophobicContact CG2-CG1 3.55Å; V19-V89 WeakPolarHBondContact O-CA 3.48Å; L77-V89 HydrophobicContact CB-CG1 4.5Å; L77-V89 WeakPolarHBondContact CB-O 3.44Å; L77-V89 HydrophobicContact CD1-CG1 4.18Å; L77-V89 PolarHBondContact N-O 2.66Å; F78-V89 HydrophobicContact CD1-CB 4.01Å; F78-V89 HydrophobicContact CD1-CG2 4.29Å; F78-V89 HydrophobicContact CE1-CB 3.68Å; F78-V89 HydrophobicContact CE1-CG1 4.16Å; F78-V89 HydrophobicContact CE1-CG2 3.57Å; F78-V89 HydrophobicContact CE2-CG2 3.89Å; F78-V89 HydrophobicContact CZ-CB 4Å; F78-V89 HydrophobicContact CZ-CG2 3.35Å; F78-V89 PolarHBondContact N-O 2.87Å; F78-V89 PolarHBondContact O-N 3.28Å; L87-V89 HydrophobicContact CD1-CG2 4.08Å; L87-V89 HydrophobicContact CG-CG2 4.18Å |
| 90 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 149.7 | -176.7 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | F10 I18 V19 V63 I74 E75 V76 V88 | F10-V90 HydrophobicContact CZ-CG2 4.34Å; I18-V90 CarbonylContact C-O 3Å; I18-V90 WeakPolarHBondContact CA-O 3.33Å; V19-V90 HydrophobicContact CB-CG2 3.94Å; V19-V90 PolarHBondContact N-O 2.72Å; V19-V90 PolarHBondContact O-N 3.43Å; V63-V90 HydrophobicContact CG1-CG1 4.19Å; V63-V90 HydrophobicContact CG1-CG2 3.86Å; I74-V90 HydrophobicContact CB-CB 4.2Å; I74-V90 HydrophobicContact CB-CG2 4.43Å; I74-V90 HydrophobicContact CD1-CG1 4.08Å; I74-V90 HydrophobicContact CG2-CB 4.48Å; I74-V90 HydrophobicContact CG2-CG2 4.18Å; E75-V90 CarbonylContact O-C 3.53Å; E75-V90 VanDerWaalsContact O-CA 3.26Å; E75-V90 WeakPolarHBondContact O-CA 3.33Å; V76-V90 HydrophobicContact CG2-CG1 4.36Å; V88-V90 HydrophobicContact CG1-CG1 3.74Å |
| 91 | R | 98.8 | Very high | 97.3 | Very high | 62 Ų | 62 | 56.7 Ų | 56.7 | 23% | 0.234 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 139.1 | 165.5 | -178 | -175.8 | -60.7 | 151.9 | -6.5 | 109.7 | G17 I74 E75 L77 | G17-R91 WeakPolarHBondContact O-CA 3.25Å; I74-R91 CarbonylContact C-O 3.48Å; I74-R91 WeakPolarHBondContact CA-O 3.48Å; E75-R91 HydrophobicContact CB-CB 4.29Å; E75-R91 PolarHBondContact N-O 2.79Å; E75-R91 PolarHBondContact O-N 2.86Å; E75-R91 IonicContact OE1-NH1 2.8Å; E75-R91 IonicContact OE2-CZ 2.71Å; E75-R91 IonicContact OE2-NE 3.68Å; E75-R91 IonicContact OE2-NH1 3.6Å; E75-R91 PolarHBondContact OE2-NH1 3.28Å; L77-R91 HydrophobicContact CD1-CB 4.27Å; L77-R91 HydrophobicContact CD2-CB 4.18Å; L77-R91 HydrophobicContact CG-CB 4.27Å |
| 92 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 134.2 | -178 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | F10 I13 L16 G17 V19 K72 | F10-V92 HydrophobicContact CD1-CG2 4.27Å; F10-V92 HydrophobicContact CE1-CG2 3.79Å; I13-V92 HydrophobicContact CG1-CG2 3.97Å; I13-V92 HydrophobicContact CG2-CB 4.37Å; I13-V92 HydrophobicContact CG2-CG1 4.08Å; I13-V92 HydrophobicContact CG2-CG2 3.81Å; L16-V92 VanDerWaalsContact CA-O 3.25Å; L16-V92 WeakPolarHBondContact CA-O 3.29Å; L16-V92 PolarHBondContact N-O 2.94Å; G17-V92 PolarHBondContact O-N 3.23Å; V19-V92 HydrophobicContact CG2-CG2 3.88Å; K72-V92 HydrophobicContact CB-CG1 3.95Å; K72-V92 HydrophobicContact CD-CG1 3.75Å; K72-V92 HydrophobicContact CG-CG1 4Å |
| 93 | L | 98.5 | Very high | 97.5 | Very high | 52 Ų | 52 | 55 Ų | 55 | 27% | 0.272 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 117.6 | 174.8 | -57.3 | 176.4 | 0 | 0 | 0 | 108.9 | L16 K72 G73 E75 | L16-L93 HydrophobicContact CD2-CD2 4.14Å; K72-L93 CarbonylContact C-O 3.36Å; K72-L93 VanDerWaalsContact CA-O 3.3Å; K72-L93 WeakPolarHBondContact CA-O 3.45Å; G73-L93 PolarHBondContact N-O 2.96Å; G73-L93 PolarHBondContact O-N 3.38Å; E75-L93 HydrophobicContact CB-CD1 4.43Å |
| 94 | R | 97.4 | Very high | 97.6 | Very high | 186 Ų | 186 | 53.2 Ų | 53.2 | 70% | 0.702 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 135.6 | -177.8 | -174.3 | 178.8 | -176 | 171.1 | 1.4 | 111 | N15 | N15-R94 HydrophobicContact CB-CB 3.85Å; N15-R94 WeakPolarHBondContact OD1-CB 3.28Å; N15-R94 PolarHBondContact OD1-N 3.13Å |
| 95 | G | 97.3 | Very high | 97.8 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 19% | 0.186 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 132.9 | 151 | 169 | 0 | 0 | 0 | 0 | 0 | 112 | N71 T97 S98 A99 | N71-G95 CarbonylContact O-C 3.29Å; N71-G95 VanDerWaalsContact O-C 3.29Å; N71-G95 WeakPolarHBondContact O-CA 3.48Å; N71-G95 PolarHBondContact O-N 3.49Å; G95-T97 VanDerWaalsContact C-N 3.33Å; G95-T97 PolarHBondContact O-N 3.28Å; G95-S98 PolarHBondContact O-N 3.19Å; G95-A99 PolarHBondContact O-N 3.25Å; G95-A99 VanDerWaalsContact O-N 3.08Å |
| 96 | P | 97.7 | Very high | 97.8 | Very high | 76 Ų | 76 | 48.5 Ų | 48.5 | 49% | 0.494 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 179.9 | 23.8 | -32.7 | 0 | 0 | 0 | 111.7 | S98 A99 D100 | P96-S98 VanDerWaalsContact C-N 3.32Å; P96-S98 PolarHBondContact O-N 3.45Å; P96-A99 CarbonylContact O-C 3.54Å; P96-A99 WeakPolarHBondContact O-CA 3.28Å; P96-A99 VanDerWaalsContact O-CB 3.26Å; P96-A99 WeakPolarHBondContact O-CB 3.28Å; P96-A99 PolarHBondContact O-N 2.8Å; P96-D100 VanDerWaalsContact O-CG 3.27Å; P96-D100 PolarHBondContact O-N 2.88Å |
| 97 | T | 98.3 | Very high | 97.7 | Very high | 100 Ų | 100 | 50 Ų | 50 | 61% | 0.613 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -56.7 | -44.3 | 176.7 | -48.6 | 0 | 0 | 0 | 0 | 112.3 | G95 A99 D100 E101 | G95-T97 VanDerWaalsContact C-N 3.33Å; G95-T97 PolarHBondContact O-N 3.28Å; T97-A99 VanDerWaalsContact C-N 3.3Å; T97-A99 PolarHBondContact O-N 3.04Å; T97-D100 PolarHBondContact O-N 3.36Å; T97-E101 WeakPolarHBondContact O-CG 3.28Å; T97-E101 PolarHBondContact O-N 3.39Å |
| 98 | S | 98.2 | Very high | 97.5 | Very high | 37 Ų | 37 | 52.8 Ų | 52.8 | 26% | 0.259 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.6 | -33.4 | 176.5 | -57.2 | 0 | 0 | 0 | 0 | 112.6 | G73 G95 P96 T102 | G73-S98 VanDerWaalsContact CA-O 3.23Å; G73-S98 WeakPolarHBondContact CA-O 3.26Å; G95-S98 PolarHBondContact O-N 3.19Å; P96-S98 VanDerWaalsContact C-N 3.32Å; P96-S98 PolarHBondContact O-N 3.45Å; S98-T102 VanDerWaalsContact O-CB 3.29Å; S98-T102 WeakPolarHBondContact O-CB 3.45Å; S98-T102 PolarHBondContact O-N 2.81Å; S98-T102 PolarHBondContact O-OG1 2.76Å |
| 99 | A | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A68 G95 P96 T97 T102 A103 | A68-A99 HydrophobicContact CB-CB 4.47Å; G95-A99 PolarHBondContact O-N 3.25Å; G95-A99 VanDerWaalsContact O-N 3.08Å; P96-A99 CarbonylContact O-C 3.54Å; P96-A99 WeakPolarHBondContact O-CA 3.28Å; P96-A99 VanDerWaalsContact O-CB 3.26Å; P96-A99 WeakPolarHBondContact O-CB 3.28Å; P96-A99 PolarHBondContact O-N 2.8Å; T97-A99 VanDerWaalsContact C-N 3.3Å; T97-A99 PolarHBondContact O-N 3.04Å; A99-T102 WeakPolarHBondContact O-CB 3.34Å; A99-T102 PolarHBondContact O-N 3.14Å; A99-A103 WeakPolarHBondContact O-CB 3.37Å; A99-A103 PolarHBondContact O-N 3.47Å |
| 100 | D | 97.9 | Very high | 97.2 | Very high | 94 Ų | 94 | 52.8 Ų | 52.8 | 50% | 0.503 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.9 | -47.3 | 178.6 | -61.7 | -27.5 | 0 | 0 | 0 | 111.2 | P96 T97 T102 A103 K104 | P96-D100 VanDerWaalsContact O-CG 3.27Å; P96-D100 PolarHBondContact O-N 2.88Å; T97-D100 PolarHBondContact O-N 3.36Å; D100-T102 PolarHBondContact O-N 3.34Å; D100-A103 PolarHBondContact O-N 3.12Å; D100-A103 VanDerWaalsContact O-N 3.14Å; D100-K104 WeakPolarHBondContact O-CG 3.48Å; D100-K104 PolarHBondContact O-N 3.32Å |
| 101 | E | 97.4 | Very high | 97 | Very high | 88 Ų | 88 | 53 Ų | 53 | 41% | 0.411 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.3 | -28.9 | 175.8 | -68.6 | -50.3 | 127 | 0 | 0 | 113.1 | T97 K104 K105 | T97-E101 WeakPolarHBondContact O-CG 3.28Å; T97-E101 PolarHBondContact O-N 3.39Å; E101-K104 IonicContact OE1-NZ 2.79Å; E101-K104 PolarHBondContact OE1-NZ 3.25Å; E101-K104 IonicContact OE2-NZ 3.84Å; E101-K105 WeakPolarHBondContact O-CG 3.5Å |
| 102 | T | 97.9 | Very high | 96.8 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -74.4 | -41.1 | 173.9 | -67 | 0 | 0 | 0 | 0 | 111.4 | A64 G73 I74 S98 A99 D100 K104 K105 W155 | A64-T102 HydrophobicContact CB-CG2 3.73Å; G73-T102 WeakPolarHBondContact CA-OG1 3.46Å; I74-T102 HydrophobicContact CG1-CG2 3.73Å; I74-T102 PolarHBondContact N-OG1 2.8Å; S98-T102 VanDerWaalsContact O-CB 3.29Å; S98-T102 WeakPolarHBondContact O-CB 3.45Å; S98-T102 PolarHBondContact O-N 2.81Å; S98-T102 PolarHBondContact O-OG1 2.76Å; A99-T102 WeakPolarHBondContact O-CB 3.34Å; A99-T102 PolarHBondContact O-N 3.14Å; D100-T102 PolarHBondContact O-N 3.34Å; T102-K104 VanDerWaalsContact C-N 3.34Å; T102-K104 PolarHBondContact O-N 3.05Å; T102-K105 PolarHBondContact O-N 3.07Å; T102-W155 HydrophobicContact CG2-CZ3 4.17Å |
| 103 | A | 96.8 | Very high | 96.5 | Very high | 45 Ų | 45 | 55 Ų | 55 | 37% | 0.372 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A99 D100 K105 I106 | A99-A103 WeakPolarHBondContact O-CB 3.37Å; A99-A103 PolarHBondContact O-N 3.47Å; D100-A103 PolarHBondContact O-N 3.12Å; D100-A103 VanDerWaalsContact O-N 3.14Å; A103-K105 PolarHBondContact O-N 2.86Å; A103-I106 WeakPolarHBondContact O-CB 3.34Å; A103-I106 PolarHBondContact O-N 2.9Å |
| 104 | K | 95.5 | Very high | 96.2 | Very high | 105 Ų | 105 | 60.3 Ų | 60.3 | 46% | 0.457 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.2 | -27.3 | 175 | -69.3 | 172.7 | -173.5 | 172.1 | 0 | 113.8 | D100 E101 T102 I106 | D100-K104 WeakPolarHBondContact O-CG 3.48Å; D100-K104 PolarHBondContact O-N 3.32Å; E101-K104 IonicContact OE1-NZ 2.79Å; E101-K104 PolarHBondContact OE1-NZ 3.25Å; E101-K104 IonicContact OE2-NZ 3.84Å; T102-K104 VanDerWaalsContact C-N 3.34Å; T102-K104 PolarHBondContact O-N 3.05Å; K104-I106 PolarHBondContact O-N 3Å |
| 105 | K | 96.6 | Very high | 96 | Very high | 71 Ų | 71 | 54 Ų | 54 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 5.9 | 178.6 | -63.3 | 168.3 | -175.4 | 178.7 | 0 | 113.2 | E101 T102 A103 W155 S156 | E101-K105 WeakPolarHBondContact O-CG 3.5Å; T102-K105 PolarHBondContact O-N 3.07Å; A103-K105 PolarHBondContact O-N 2.86Å; K105-W155 HydrophobicContact CB-CD2 4.39Å; K105-W155 HydrophobicContact CB-CE3 3.8Å; K105-W155 HydrophobicContact CB-CH2 3.78Å; K105-W155 HydrophobicContact CB-CZ2 4.34Å; K105-W155 HydrophobicContact CB-CZ3 3.46Å; K105-W155 VanDerWaalsContact CB-CZ3 3.46Å; K105-W155 HydrophobicContact CD-CH2 3.39Å; K105-W155 HydrophobicContact CD-CZ2 3.82Å; K105-W155 HydrophobicContact CD-CZ3 3.97Å; K105-W155 HydrophobicContact CG-CH2 4.23Å; K105-W155 HydrophobicContact CG-CZ3 4.37Å; K105-W155 WeakPolarHBondContact O-CA 3.47Å; K105-S156 PolarHBondContact O-N 3.2Å; K105-S156 PolarHBondContact O-OG 2.58Å; K105-S156 VanDerWaalsContact O-OG 3.12Å |
| 106 | I | 96.9 | Very high | 95.8 | Very high | 34 Ų | 34 | 55 Ų | 55 | 17% | 0.174 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 99.8 | 177 | -55.6 | -179.7 | 0 | 0 | 0 | 107.4 | A61 A64 R65 A103 K104 P153 L154 | A61-I106 HydrophobicContact CB-CG2 4.46Å; A64-I106 HydrophobicContact CB-CD1 3.63Å; A64-I106 HydrophobicContact CB-CG1 4.1Å; R65-I106 HydrophobicContact CG-CD1 3.64Å; A103-I106 WeakPolarHBondContact O-CB 3.34Å; A103-I106 PolarHBondContact O-N 2.9Å; K104-I106 PolarHBondContact O-N 3Å; I106-P153 HydrophobicContact CG2-CB 3.76Å; I106-P153 HydrophobicContact CG2-CG 4.4Å; I106-L154 CarbonylContact C-O 3.56Å; I106-L154 WeakPolarHBondContact CA-O 3.19Å |
| 107 | Q | 95.3 | Very high | 95.6 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 159.1 | -170.1 | -66.7 | 176.9 | -38.2 | 0 | 0 | 111.5 | F120 D123 L154 S156 | Q107-F120 HydrophobicContact CB-CD1 4.29Å; Q107-D123 PolarHBondContact NE2-OD1 2.71Å; Q107-D123 PolarHBondContact NE2-OD2 2.89Å; Q107-L154 PolarHBondContact N-O 3.13Å; Q107-L154 PolarHBondContact O-N 3.48Å; Q107-S156 PolarHBondContact OE1-OG 2.89Å |
| 108 | Y | 94.8 | Very high | 95.4 | Very high | 92 Ų | 92 | 55.3 Ų | 55.3 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 150.6 | 168.7 | -70.2 | -84 | 0 | 0 | 0 | 110.7 | F120 Q121 E150 L151 P153 | Y108-F120 WeakPolarHBondContact O-CA 3.38Å; Y108-Q121 PolarHBondContact O-N 3.28Å; Y108-E150 HydrophobicContact CD1-CG 3.68Å; Y108-E150 WeakPolarHBondContact CD1-OE1 3.43Å; Y108-E150 HydrophobicContact CG-CG 3.93Å; Y108-L151 CarbonylContact C-O 3.55Å; Y108-L151 WeakPolarHBondContact CA-O 3.44Å; Y108-P153 HydrophobicContact CE1-CB 4.35Å; Y108-P153 HydrophobicContact CE2-CB 4.45Å |
| 109 | L | 95.1 | Very high | 95.2 | Very high | 7 Ų | 7 | 56.2 Ų | 56.2 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 119.4 | 176.8 | 177.7 | 76.1 | 0 | 0 | 0 | 108.2 | Y50 L54 R118 F120 L151 L154 | Y50-L109 HydrophobicContact CE2-CD2 4.02Å; L54-L109 HydrophobicContact CD1-CD2 4.48Å; L109-R118 HydrophobicContact CD1-CB 3.98Å; L109-R118 HydrophobicContact CD1-CG 4.34Å; L109-R118 HydrophobicContact CD2-CB 4.49Å; L109-R118 HydrophobicContact CG-CB 4.31Å; L109-F120 HydrophobicContact CB-CD1 4.13Å; L109-F120 HydrophobicContact CB-CE1 4.05Å; L109-F120 HydrophobicContact CD1-CD1 3.99Å; L109-F120 HydrophobicContact CD1-CD2 4.38Å; L109-F120 HydrophobicContact CD1-CE1 3.96Å; L109-F120 HydrophobicContact CD1-CE2 4.36Å; L109-F120 HydrophobicContact CD1-CG 4.2Å; L109-F120 HydrophobicContact CD1-CZ 4.13Å; L109-L151 HydrophobicContact CB-CB 4.32Å; L109-L151 HydrophobicContact CD2-CD1 4.27Å; L109-L151 PolarHBondContact N-O 3.15Å; L109-L151 PolarHBondContact O-N 3.47Å; L109-L154 HydrophobicContact CB-CD1 3.63Å; L109-L154 HydrophobicContact CD2-CD1 3.88Å; L109-L154 HydrophobicContact CG-CD1 4.39Å |
| 110 | I | 94.4 | Very high | 95 | Very high | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 127.2 | 170.7 | -53.7 | 172.6 | 0 | 0 | 0 | 106.6 | R118 I119 P131 Q134 L135 A148 I149 | I110-R118 CarbonylContact O-C 3.52Å; I110-R118 WeakPolarHBondContact O-CA 3.48Å; I110-I119 HydrophobicContact CB-CG2 4.08Å; I110-I119 HydrophobicContact CD1-CG2 4.44Å; I110-I119 PolarHBondContact N-O 3.15Å; I110-I119 PolarHBondContact O-N 2.66Å; I110-P131 HydrophobicContact CD1-CB 4.4Å; I110-P131 HydrophobicContact CG2-CB 3.83Å; I110-Q134 HydrophobicContact CD1-CB 3.94Å; I110-Q134 HydrophobicContact CD1-CG 4.23Å; I110-L135 HydrophobicContact CG2-CD1 3.82Å; I110-L135 HydrophobicContact CG2-CD2 4.08Å; I110-L135 HydrophobicContact CG2-CG 3.73Å; I110-A148 HydrophobicContact CG2-CB 4.41Å; I110-I149 WeakPolarHBondContact CA-O 3.33Å |
| 111 | H | 94.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 1% | 0.014 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 132.7 | -175.7 | 163.3 | 70.9 | 0 | 0 | 0 | 110.8 | Y50 R118 A148 I149 L151 | Y50-H111 AromaticContact CE1-CE1 3.95Å; Y50-H111 AromaticContact CE1-ND1 3.89Å; Y50-H111 AromaticContact CZ-ND1 3.88Å; Y50-H111 VanDerWaalsContact OH-CG 3.3Å; Y50-H111 PolarHBondContact OH-ND1 2.97Å; H111-R118 HydrophobicContact CB-CB 4.45Å; H111-A148 WeakPolarHBondContact O-CA 3.46Å; H111-I149 HydrophobicContact CB-CG1 4.44Å; H111-I149 PolarHBondContact N-O 3.39Å; H111-I149 PolarHBondContact O-N 2.91Å; H111-L151 HydrophobicContact CB-CD1 3.76Å; H111-L151 HydrophobicContact CB-CG 4.2Å |
| 112 | C | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 115.7 | 169.3 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | W114 E116 E117 L135 T147 | C112-W114 PolarHBondContact O-N 2.75Å; C112-W114 VanDerWaalsContact O-N 3.13Å; C112-E116 VanDerWaalsContact O-CA 3.25Å; C112-E116 WeakPolarHBondContact O-CA 3.42Å; C112-E116 PolarHBondContact O-N 3.44Å; C112-E117 HydrophobicContact CB-CB 4.43Å; C112-E117 PolarHBondContact N-O 3.24Å; C112-L135 HydrophobicContact CB-CD1 4.18Å; C112-T147 CarbonylContact C-O 3.53Å; C112-T147 WeakPolarHBondContact CA-O 3.46Å |
| 113 | Q | 92.8 | Very high | 92.4 | Very high | 106 Ų | 106 | 64.9 Ų | 64.9 | 50% | 0.495 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -8.8 | 178.5 | -59.8 | -171.4 | -90.7 | 0 | 0 | 113.8 | T147 I149 | Q113-T147 PolarHBondContact N-O 2.82Å; Q113-I149 HydrophobicContact CG-CD1 3.6Å; Q113-I149 HydrophobicContact CG-CG1 3.76Å; Q113-I149 HydrophobicContact CG-CG2 4.07Å |
| 114 | W | 92.6 | Very high | 90.9 | Very high | 163 Ų | 163 | 65.4 Ų | 65.4 | 62% | 0.617 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -53 | -177.8 | -177.6 | -96.4 | 0 | 0 | 0 | 113 | C112 C139 M143 T147 | C112-W114 PolarHBondContact O-N 2.75Å; C112-W114 VanDerWaalsContact O-N 3.13Å; W114-C139 HydrophobicContact CB-CB 4.41Å; W114-M143 HydrophobicContact CD2-CE 3.84Å; W114-M143 HydrophobicContact CD2-CG 3.97Å; W114-M143 HydrophobicContact CD2-SD 4.11Å; W114-M143 HydrophobicContact CE3-CE 3.6Å; W114-M143 HydrophobicContact CE3-CG 4.49Å; W114-M143 HydrophobicContact CE3-SD 4.47Å; W114-M143 HydrophobicContact CG-CG 4.1Å; W114-M143 HydrophobicContact CH2-CE 3.23Å; W114-M143 HydrophobicContact CH2-SD 4.07Å; W114-M143 HydrophobicContact CZ2-CE 3.48Å; W114-M143 VanDerWaalsContact CZ2-CE 3.48Å; W114-M143 HydrophobicContact CZ2-SD 3.66Å; W114-M143 HydrophobicContact CZ3-CE 3.29Å; W114-M143 HydrophobicContact CZ3-SD 4.46Å; W114-T147 HydrophobicContact CB-CG2 4.43Å |
| 115 | C | 92.6 | Very high | 89.3 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 37% | 0.365 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 4.4 | -176 | 67.4 | 0 | 0 | 0 | 0 | 113.8 | E117 C137 | C115-E117 PolarHBondContact O-N 2.93Å; C115-E117 VanDerWaalsContact SG-CG 3.6Å; C115-C137 VanDerWaalsContact SG-CB 3.59Å |
| 116 | E | 93.4 | Very high | 87.8 | Confident | 38 Ų | 38 | 73.6 Ų | 73.6 | 18% | 0.178 | 36% | 0.36 | C | S | . | . | trans | 61.9 | 5.7 | -178.2 | -56.5 | -137.6 | 151.4 | 0 | 0 | 117.5 | E49 Y50 C112 R118 | E49-E116 WeakPolarHBondContact CB-OE2 3.38Å; E49-E116 VanDerWaalsContact CG-OE1 3.31Å; E49-E116 WeakPolarHBondContact CG-OE1 3.41Å; E49-E116 PolarHBondContact N-OE1 2.78Å; E49-E116 PolarHBondContact N-OE2 3.48Å; Y50-E116 WeakPolarHBondContact CD1-OE2 3.49Å; C112-E116 VanDerWaalsContact O-CA 3.25Å; C112-E116 WeakPolarHBondContact O-CA 3.42Å; C112-E116 PolarHBondContact O-N 3.44Å; E116-R118 PolarHBondContact O-NH1 3.18Å; E116-R118 VanDerWaalsContact O-NH1 3.1Å | ||
| 117 | E | 93.7 | Very high | 86.2 | Confident | 85 Ų | 85 | 78.1 Ų | 78.1 | 40% | 0.397 | 39% | 0.389 | S | S | . | . | trans | -57.3 | 141.9 | 170.6 | -77.6 | -65.4 | 176.7 | 0 | 0 | 111.1 | C112 C115 L135 P136 C137 | C112-E117 HydrophobicContact CB-CB 4.43Å; C112-E117 PolarHBondContact N-O 3.24Å; C115-E117 PolarHBondContact O-N 2.93Å; C115-E117 VanDerWaalsContact SG-CG 3.6Å; E117-L135 WeakPolarHBondContact O-CD2 3.29Å; E117-P136 HydrophobicContact CB-CG 4.22Å; E117-P136 HydrophobicContact CG-CG 4.22Å; E117-P136 WeakPolarHBondContact OE2-CG 3.47Å; E117-C137 HydrophobicContact CB-CB 4.07Å; E117-C137 HydrophobicContact CG-CB 4.04Å | ||
| 118 | R | 94.2 | Very high | 84.8 | Confident | 97 Ų | 97 | 80.3 Ų | 80.3 | 37% | 0.366 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 147.3 | -168.2 | 63.8 | -165.1 | 176.1 | -88.7 | 4.5 | 112.9 | L109 I110 H111 E116 | L109-R118 HydrophobicContact CD1-CB 3.98Å; L109-R118 HydrophobicContact CD1-CG 4.34Å; L109-R118 HydrophobicContact CD2-CB 4.49Å; L109-R118 HydrophobicContact CG-CB 4.31Å; I110-R118 CarbonylContact O-C 3.52Å; I110-R118 WeakPolarHBondContact O-CA 3.48Å; H111-R118 HydrophobicContact CB-CB 4.45Å; E116-R118 PolarHBondContact O-NH1 3.18Å; E116-R118 VanDerWaalsContact O-NH1 3.1Å |
| 119 | I | 93.9 | Very high | 83.5 | Confident | 56 Ų | 56 | 84.8 Ų | 84.8 | 29% | 0.287 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 137.9 | 179.5 | -167.7 | 168.2 | 0 | 0 | 0 | 110.1 | I110 Q134 L135 | I110-I119 HydrophobicContact CB-CG2 4.08Å; I110-I119 HydrophobicContact CD1-CG2 4.44Å; I110-I119 PolarHBondContact N-O 3.15Å; I110-I119 PolarHBondContact O-N 2.66Å; I119-Q134 WeakPolarHBondContact CD1-O 3.36Å; I119-Q134 HydrophobicContact CG2-CB 3.8Å; I119-Q134 WeakPolarHBondContact CG2-O 3.32Å; I119-L135 HydrophobicContact CG2-CD2 4.32Å |
| 120 | F | 93.4 | Very high | 82.7 | Confident | 49 Ų | 49 | 87.1 Ų | 87.1 | 22% | 0.215 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 132.6 | 169.8 | -73.1 | -71.3 | 0 | 0 | 0 | 109.3 | Q107 Y108 L109 K122 L154 | Q107-F120 HydrophobicContact CB-CD1 4.29Å; Y108-F120 WeakPolarHBondContact O-CA 3.38Å; L109-F120 HydrophobicContact CB-CD1 4.13Å; L109-F120 HydrophobicContact CB-CE1 4.05Å; L109-F120 HydrophobicContact CD1-CD1 3.99Å; L109-F120 HydrophobicContact CD1-CD2 4.38Å; L109-F120 HydrophobicContact CD1-CE1 3.96Å; L109-F120 HydrophobicContact CD1-CE2 4.36Å; L109-F120 HydrophobicContact CD1-CG 4.2Å; L109-F120 HydrophobicContact CD1-CZ 4.13Å; F120-K122 PolarHBondContact O-N 2.92Å; F120-L154 HydrophobicContact CE1-CB 4.14Å; F120-L154 HydrophobicContact CE1-CD1 4.33Å |
| 121 | Q | 89.6 | Confident | 82 | Confident | 49 Ų | 49 | 89 Ų | 89 | 23% | 0.229 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 133.3 | 176.4 | -172.8 | 178 | 9.1 | 0 | 0 | 109.4 | Y108 | Y108-Q121 PolarHBondContact O-N 3.28Š|
| 122 | K | 79.8 | Confident | 81.3 | Confident | 164 Ų | 164 | 90.4 Ų | 90.4 | 71% | 0.713 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 142.4 | 176.2 | -63.2 | -178 | -178.5 | 176.6 | 0 | 110.3 | F120 G124 | F120-K122 PolarHBondContact O-N 2.92Å; K122-G124 PolarHBondContact O-N 3.46Å |
| 123 | D | 70.3 | Confident | 80.8 | Confident | 108 Ų | 108 | 99 Ų | 99 | 58% | 0.578 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -62 | 122.4 | 171.3 | -70.6 | -24.1 | 0 | 0 | 0 | 109.6 | Q107 | Q107-D123 PolarHBondContact NE2-OD1 2.71Å; Q107-D123 PolarHBondContact NE2-OD2 2.89Å |
| 124 | G | 65.8 | Low | 80.3 | Confident | 57 Ų | 57 | 95.5 Ų | 95.5 | 59% | 0.588 | 47% | 0.47 | S | S | * | . | trans | -170.2 | 141.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | K122 M126 | K122-G124 PolarHBondContact O-N 3.46Å; G124-M126 PolarHBondContact O-N 3.12Å | ||
| 125 | N | 61.9 | Low | 80.1 | Confident | 177 Ų | 177 | 88.2 Ų | 88.2 | 95% | 0.947 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -76.5 | -7.6 | 174.1 | -67.5 | -21 | 0 | 0 | 0 | 112.4 | ||
| 126 | M | 64.6 | Low | 79.9 | Confident | 170 Ų | 170 | 90.1 Ų | 90.1 | 84% | 0.837 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -90.1 | 125 | 177.3 | -64.1 | -175.9 | 70.7 | 0 | 0 | 109.3 | G124 E128 | G124-M126 PolarHBondContact O-N 3.12Å; M126-E128 PolarHBondContact O-N 3.32Å |
| 127 | V | 62.9 | Low | 79.8 | Confident | 129 Ų | 129 | 89.5 Ų | 89.5 | 78% | 0.782 | 46% | 0.455 | S | S | * | . | trans | -69.9 | 111.6 | 172.2 | -178.2 | 0 | 0 | 0 | 0 | 107.6 | E129 | V127-E129 PolarHBondContact O-N 3.24Š| ||
| 128 | E | 66.8 | Low | 79.5 | Confident | 77 Ų | 77 | 91.5 Ų | 91.5 | 36% | 0.36 | 47% | 0.468 | S | S | . | . | trans | -70.5 | 108.8 | 168.6 | -173.1 | 76.9 | -126.8 | 0 | 0 | 107.9 | M126 N130 R133 | M126-E128 PolarHBondContact O-N 3.32Å; E128-N130 PolarHBondContact O-N 2.97Å; E128-R133 WeakPolarHBondContact OE1-CD 3.36Å; E128-R133 IonicContact OE1-CZ 3.8Å; E128-R133 IonicContact OE1-NE 3.94Å; E128-R133 IonicContact OE1-NH1 2.88Å; E128-R133 PolarHBondContact OE1-NH1 3.23Å | ||
| 129 | E | 67.6 | Low | 79.3 | Confident | 186 Ų | 186 | 87.7 Ų | 87.7 | 87% | 0.869 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -66.6 | -23.2 | -175.9 | -65.1 | -174.6 | 161.1 | 0 | 0 | 113.1 | V127 | V127-E129 PolarHBondContact O-N 3.24Š|
| 130 | N | 78.4 | Confident | 79 | Confident | 56 Ų | 56 | 89.4 Ų | 89.4 | 30% | 0.299 | 46% | 0.463 | S | S | . | . | trans | -120 | 102 | -176.6 | -170.9 | -10.5 | 0 | 0 | 0 | 112.6 | E128 Y132 R133 | E128-N130 PolarHBondContact O-N 2.97Å; N130-Y132 PolarHBondContact O-N 2.69Å; N130-Y132 VanDerWaalsContact O-N 3.16Å; N130-Y132 VanDerWaalsContact OD1-CB 3.3Å; N130-Y132 WeakPolarHBondContact OD1-CB 3.41Å; N130-Y132 WeakPolarHBondContact OD1-CD2 3.41Å; N130-Y132 PolarHBondContact OD1-N 3.25Å; N130-R133 HydrophobicContact CB-CG 4.23Å; N130-R133 PolarHBondContact O-N 2.96Å | ||
| 131 | P | 78.2 | Confident | 78.6 | Confident | 45 Ų | 45 | 90 Ų | 90 | 29% | 0.292 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -62.9 | -23.3 | -180 | 26 | -34.5 | 0 | 0 | 0 | 113.3 | I110 R133 Q134 A148 | I110-P131 HydrophobicContact CD1-CB 4.4Å; I110-P131 HydrophobicContact CG2-CB 3.83Å; P131-R133 PolarHBondContact O-N 3.24Å; P131-Q134 PolarHBondContact O-N 2.8Å; P131-A148 HydrophobicContact CB-CB 4.14Å; P131-A148 HydrophobicContact CG-CB 4.04Å |
| 132 | Y | 81.4 | Confident | 78.5 | Confident | 33 Ų | 33 | 92.1 Ų | 92.1 | 13% | 0.129 | 50% | 0.503 | C | S | . | . | G | 310 helix | trans | -68 | -21.3 | 179.6 | -58.8 | -68 | 0 | 0 | 0 | 113.6 | N130 Q134 L135 H140 K146 T147 A148 | N130-Y132 PolarHBondContact O-N 2.69Å; N130-Y132 VanDerWaalsContact O-N 3.16Å; N130-Y132 VanDerWaalsContact OD1-CB 3.3Å; N130-Y132 WeakPolarHBondContact OD1-CB 3.41Å; N130-Y132 WeakPolarHBondContact OD1-CD2 3.41Å; N130-Y132 PolarHBondContact OD1-N 3.25Å; Y132-Q134 PolarHBondContact O-N 3.08Å; Y132-L135 HydrophobicContact CD1-CD1 4.35Å; Y132-L135 PolarHBondContact O-N 2.82Å; Y132-H140 HydrophobicContact CD1-CB 3.56Å; Y132-H140 HydrophobicContact CD2-CB 4.13Å; Y132-H140 AromaticContact CD2-CD2 3.61Å; Y132-H140 AromaticContact CD2-CG 3.65Å; Y132-H140 AromaticContact CD2-NE2 3.99Å; Y132-H140 HydrophobicContact CE1-CB 3.62Å; Y132-H140 AromaticContact CE1-CG 3.9Å; Y132-H140 HydrophobicContact CE2-CB 4.23Å; Y132-H140 AromaticContact CE2-CD2 3.87Å; Y132-H140 AromaticContact CE2-CE1 3.74Å; Y132-H140 AromaticContact CE2-CG 3.6Å; Y132-H140 AromaticContact CE2-ND1 3.51Å; Y132-H140 AromaticContact CE2-NE2 3.94Å; Y132-H140 HydrophobicContact CG-CB 3.83Å; Y132-H140 AromaticContact CG-CG 3.88Å; Y132-H140 AromaticContact CZ-CG 3.73Å; Y132-H140 AromaticContact CZ-ND1 3.55Å; Y132-K146 WeakPolarHBondContact OH-CA 3.33Å; Y132-T147 WeakPolarHBondContact CE1-OG1 3.11Å; Y132-T147 PolarHBondContact OH-N 2.8Å; Y132-A148 HydrophobicContact CD1-CB 3.64Å; Y132-A148 HydrophobicContact CE1-CB 3.21Å; Y132-A148 HydrophobicContact CG-CB 4.45Å; Y132-A148 PolarHBondContact OH-N 3.34Å |
| 133 | R | 81.9 | Confident | 78.8 | Confident | 181 Ų | 181 | 86.8 Ų | 86.8 | 68% | 0.683 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -66.9 | -25.3 | 178.2 | -74.7 | 179.2 | 174.6 | 171.8 | -0.6 | 113.4 | E128 N130 P131 | E128-R133 WeakPolarHBondContact OE1-CD 3.36Å; E128-R133 IonicContact OE1-CZ 3.8Å; E128-R133 IonicContact OE1-NE 3.94Å; E128-R133 IonicContact OE1-NH1 2.88Å; E128-R133 PolarHBondContact OE1-NH1 3.23Å; N130-R133 HydrophobicContact CB-CG 4.23Å; N130-R133 PolarHBondContact O-N 2.96Å; P131-R133 PolarHBondContact O-N 3.24Å |
| 134 | Q | 83.9 | Confident | 79.4 | Confident | 31 Ų | 31 | 87.3 Ų | 87.3 | 15% | 0.145 | 49% | 0.491 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -26.6 | -178.8 | -61.4 | -175.6 | 51.2 | 0 | 0 | 111.7 | I110 I119 P131 Y132 | I110-Q134 HydrophobicContact CD1-CB 3.94Å; I110-Q134 HydrophobicContact CD1-CG 4.23Å; I119-Q134 WeakPolarHBondContact CD1-O 3.36Å; I119-Q134 HydrophobicContact CG2-CB 3.8Å; I119-Q134 WeakPolarHBondContact CG2-O 3.32Å; P131-Q134 PolarHBondContact O-N 2.8Å; Y132-Q134 PolarHBondContact O-N 3.08Å |
| 135 | L | 88.6 | Confident | 80.2 | Confident | 10 Ų | 10 | 87.2 Ų | 87.2 | 5% | 0.052 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -72 | 134.7 | 179 | -76.5 | 169.6 | 0 | 0 | 0 | 110.8 | I110 C112 E117 I119 Y132 C137 A148 | I110-L135 HydrophobicContact CG2-CD1 3.82Å; I110-L135 HydrophobicContact CG2-CD2 4.08Å; I110-L135 HydrophobicContact CG2-CG 3.73Å; C112-L135 HydrophobicContact CB-CD1 4.18Å; E117-L135 WeakPolarHBondContact O-CD2 3.29Å; I119-L135 HydrophobicContact CG2-CD2 4.32Å; Y132-L135 HydrophobicContact CD1-CD1 4.35Å; Y132-L135 PolarHBondContact O-N 2.82Å; L135-C137 PolarHBondContact O-N 3.4Å; L135-A148 HydrophobicContact CD1-CB 3.54Å |
| 136 | P | 87.5 | Confident | 81.3 | Confident | 94 Ų | 94 | 87.5 Ų | 87.5 | 61% | 0.61 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -73.8 | -2.9 | 178.2 | 30.8 | -35.6 | 0 | 0 | 0 | 113.6 | E117 | E117-P136 HydrophobicContact CB-CG 4.22Å; E117-P136 HydrophobicContact CG-CG 4.22Å; E117-P136 WeakPolarHBondContact OE2-CG 3.47Å |
| 137 | C | 90.3 | Very high | 82.5 | Confident | 25 Ų | 25 | 80 Ų | 80 | 17% | 0.169 | 45% | 0.447 | C | S | . | . | trans | -99.4 | 152.3 | -177.7 | 72.6 | 0 | 0 | 0 | 0 | 113.1 | C115 E117 L135 | C115-C137 VanDerWaalsContact SG-CB 3.59Å; E117-C137 HydrophobicContact CB-CB 4.07Å; E117-C137 HydrophobicContact CG-CB 4.04Å; L135-C137 PolarHBondContact O-N 3.4Å | ||
| 138 | N | 89.3 | Confident | 83.9 | Confident | 127 Ų | 127 | 74.4 Ų | 74.4 | 68% | 0.679 | 41% | 0.414 | S | S | * | . | trans | -102.1 | 24.4 | 173.1 | -166.1 | 31.2 | 0 | 0 | 0 | 113.6 | H140 G141 | N138-H140 PolarHBondContact O-N 3.24Å; N138-H140 VanDerWaalsContact O-N 3.13Å; N138-G141 PolarHBondContact O-N 3.43Å; N138-G141 VanDerWaalsContact O-N 3.08Å | ||
| 139 | C | 89.6 | Confident | 85.1 | Confident | 18 Ų | 18 | 72.6 Ų | 72.6 | 12% | 0.122 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61 | -25.6 | -175.7 | -64.5 | 0 | 0 | 0 | 0 | 113.6 | W114 G141 S142 M143 | W114-C139 HydrophobicContact CB-CB 4.41Å; C139-G141 VanDerWaalsContact C-N 3.26Å; C139-G141 PolarHBondContact O-N 3.29Å; C139-S142 PolarHBondContact O-N 2.84Å; C139-M143 WeakPolarHBondContact O-CB 3.22Å; C139-M143 PolarHBondContact O-N 3.14Å |
| 140 | H | 87.6 | Confident | 86.4 | Confident | 91 Ų | 91 | 68.3 Ų | 68.3 | 42% | 0.421 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.8 | -32.5 | 175.9 | -177.1 | 45.1 | 0 | 0 | 0 | 113.4 | Y132 N138 | Y132-H140 HydrophobicContact CD1-CB 3.56Å; Y132-H140 HydrophobicContact CD2-CB 4.13Å; Y132-H140 AromaticContact CD2-CD2 3.61Å; Y132-H140 AromaticContact CD2-CG 3.65Å; Y132-H140 AromaticContact CD2-NE2 3.99Å; Y132-H140 HydrophobicContact CE1-CB 3.62Å; Y132-H140 AromaticContact CE1-CG 3.9Å; Y132-H140 HydrophobicContact CE2-CB 4.23Å; Y132-H140 AromaticContact CE2-CD2 3.87Å; Y132-H140 AromaticContact CE2-CE1 3.74Å; Y132-H140 AromaticContact CE2-CG 3.6Å; Y132-H140 AromaticContact CE2-ND1 3.51Å; Y132-H140 AromaticContact CE2-NE2 3.94Å; Y132-H140 HydrophobicContact CG-CB 3.83Å; Y132-H140 AromaticContact CG-CG 3.88Å; Y132-H140 AromaticContact CZ-CG 3.73Å; Y132-H140 AromaticContact CZ-ND1 3.55Å; N138-H140 PolarHBondContact O-N 3.24Å; N138-H140 VanDerWaalsContact O-N 3.13Å |
| 141 | G | 85.1 | Confident | 87.2 | Confident | 62 Ų | 62 | 65.7 Ų | 65.7 | 64% | 0.639 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -79.5 | -24.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N138 C139 | N138-G141 PolarHBondContact O-N 3.43Å; N138-G141 VanDerWaalsContact O-N 3.08Å; C139-G141 VanDerWaalsContact C-N 3.26Å; C139-G141 PolarHBondContact O-N 3.29Å |
| 142 | S | 86 | Confident | 88 | Confident | 94 Ų | 94 | 63.6 Ų | 63.6 | 66% | 0.657 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -103.6 | -20.8 | -174 | -54.3 | 0 | 0 | 0 | 0 | 114.1 | C139 | C139-S142 PolarHBondContact O-N 2.84Å |
| 143 | M | 86.2 | Confident | 88.7 | Confident | 51 Ų | 51 | 63 Ų | 63 | 25% | 0.251 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -116 | 140.1 | -174.6 | -60.4 | -56.8 | -59.6 | 0 | 0 | 111.5 | W114 C139 T147 | W114-M143 HydrophobicContact CD2-CE 3.84Å; W114-M143 HydrophobicContact CD2-CG 3.97Å; W114-M143 HydrophobicContact CD2-SD 4.11Å; W114-M143 HydrophobicContact CE3-CE 3.6Å; W114-M143 HydrophobicContact CE3-CG 4.49Å; W114-M143 HydrophobicContact CE3-SD 4.47Å; W114-M143 HydrophobicContact CG-CG 4.1Å; W114-M143 HydrophobicContact CH2-CE 3.23Å; W114-M143 HydrophobicContact CH2-SD 4.07Å; W114-M143 HydrophobicContact CZ2-CE 3.48Å; W114-M143 VanDerWaalsContact CZ2-CE 3.48Å; W114-M143 HydrophobicContact CZ2-SD 3.66Å; W114-M143 HydrophobicContact CZ3-CE 3.29Å; W114-M143 HydrophobicContact CZ3-SD 4.46Å; C139-M143 WeakPolarHBondContact O-CB 3.22Å; C139-M143 PolarHBondContact O-N 3.14Å; M143-T147 HydrophobicContact CB-CG2 3.99Å |
| 144 | P | 83 | Confident | 89.5 | Confident | 119 Ų | 119 | 54.4 Ų | 54.4 | 77% | 0.773 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -68.4 | 140.9 | 173.9 | 28.8 | -33.8 | 0 | 0 | 0 | 111.2 | ||
| 145 | G | 82.6 | Confident | 90.1 | Very high | 55 Ų | 55 | 53.1 Ų | 53.1 | 57% | 0.567 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 92.3 | -173.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 146 | K | 84.9 | Confident | 90.5 | Very high | 184 Ų | 184 | 53.9 Ų | 53.9 | 80% | 0.8 | 33% | 0.327 | S | S | * | . | trans | -88.4 | 111.6 | 176.2 | -69.2 | -174.1 | -179.9 | -176.7 | 0 | 109.4 | Y132 | Y132-K146 WeakPolarHBondContact OH-CA 3.33Š| ||
| 147 | T | 90.3 | Very high | 90.9 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 8% | 0.08 | 31% | 0.313 | C | S | . | . | trans | -93.5 | -23.1 | 178.5 | 57.3 | 0 | 0 | 0 | 0 | 112.9 | C112 Q113 W114 Y132 M143 | C112-T147 CarbonylContact C-O 3.53Å; C112-T147 WeakPolarHBondContact CA-O 3.46Å; Q113-T147 PolarHBondContact N-O 2.82Å; W114-T147 HydrophobicContact CB-CG2 4.43Å; Y132-T147 WeakPolarHBondContact CE1-OG1 3.11Å; Y132-T147 PolarHBondContact OH-N 2.8Å; M143-T147 HydrophobicContact CB-CG2 3.99Å | ||
| 148 | A | 92.6 | Very high | 91.2 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 131.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I110 H111 P131 Y132 L135 | I110-A148 HydrophobicContact CG2-CB 4.41Å; H111-A148 WeakPolarHBondContact O-CA 3.46Å; P131-A148 HydrophobicContact CB-CB 4.14Å; P131-A148 HydrophobicContact CG-CB 4.04Å; Y132-A148 HydrophobicContact CD1-CB 3.64Å; Y132-A148 HydrophobicContact CE1-CB 3.21Å; Y132-A148 HydrophobicContact CG-CB 4.45Å; Y132-A148 PolarHBondContact OH-N 3.34Å; L135-A148 HydrophobicContact CD1-CB 3.54Å |
| 149 | I | 93 | Very high | 91.6 | Very high | 39 Ų | 39 | 48.2 Ų | 48.2 | 20% | 0.2 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 157.9 | 174.2 | 62.5 | 170 | 0 | 0 | 0 | 111 | V46 I110 H111 Q113 L151 | V46-I149 HydrophobicContact CB-CD1 4.2Å; V46-I149 HydrophobicContact CG1-CD1 3.61Å; V46-I149 HydrophobicContact CG2-CD1 3.52Å; I110-I149 WeakPolarHBondContact CA-O 3.33Å; H111-I149 HydrophobicContact CB-CG1 4.44Å; H111-I149 PolarHBondContact N-O 3.39Å; H111-I149 PolarHBondContact O-N 2.91Å; Q113-I149 HydrophobicContact CG-CD1 3.6Å; Q113-I149 HydrophobicContact CG-CG1 3.76Å; Q113-I149 HydrophobicContact CG-CG2 4.07Å; I149-L151 HydrophobicContact CD1-CD2 3.67Å; I149-L151 HydrophobicContact CD1-CG 4.48Å; I149-L151 HydrophobicContact CG1-CD2 4.14Å |
| 150 | E | 93.4 | Very high | 92 | Very high | 96 Ų | 96 | 49.1 Ų | 49.1 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 127.2 | 175.8 | -168.9 | -176.8 | 86.1 | 0 | 0 | 110.6 | N44 Y108 | N44-E150 PolarHBondContact ND2-O 3.18Å; Y108-E150 HydrophobicContact CD1-CG 3.68Å; Y108-E150 WeakPolarHBondContact CD1-OE1 3.43Å; Y108-E150 HydrophobicContact CG-CG 3.93Å |
| 151 | L | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 148.2 | 176.7 | -51.4 | -179.7 | 0 | 0 | 0 | 110.1 | N44 V46 T48 L54 Y108 L109 H111 I149 | N44-L151 CarbonylContact O-C 3.56Å; N44-L151 WeakPolarHBondContact O-CA 3.38Å; V46-L151 HydrophobicContact CB-CD2 4.47Å; V46-L151 HydrophobicContact CG1-CD2 4.2Å; V46-L151 HydrophobicContact CG2-CD2 3.95Å; T48-L151 HydrophobicContact CG2-CD1 4.29Å; L54-L151 HydrophobicContact CD2-CD1 4.43Å; Y108-L151 CarbonylContact C-O 3.55Å; Y108-L151 WeakPolarHBondContact CA-O 3.44Å; L109-L151 HydrophobicContact CB-CB 4.32Å; L109-L151 HydrophobicContact CD2-CD1 4.27Å; L109-L151 PolarHBondContact N-O 3.15Å; L109-L151 PolarHBondContact O-N 3.47Å; H111-L151 HydrophobicContact CB-CD1 3.76Å; H111-L151 HydrophobicContact CB-CG 4.2Å; I149-L151 HydrophobicContact CD1-CD2 3.67Å; I149-L151 HydrophobicContact CD1-CG 4.48Å; I149-L151 HydrophobicContact CG1-CD2 4.14Å |
| 152 | G | 95.7 | Very high | 92.9 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 114.8 | -157.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | C43 N44 | C43-G152 CarbonylContact C-O 3.49Å; C43-G152 VanDerWaalsContact CA-O 3.29Å; C43-G152 WeakPolarHBondContact CA-O 2.94Å; N44-G152 PolarHBondContact N-O 2.8Å; N44-G152 PolarHBondContact O-N 3.13Å |
| 153 | P | 96.1 | Very high | 93.5 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 13% | 0.13 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | cis | -71.7 | 146.2 | 9.6 | 29.1 | -35.9 | 0 | 0 | 0 | 113.7 | G42 I106 Y108 | G42-P153 WeakPolarHBondContact O-CD 2.82Å; I106-P153 HydrophobicContact CG2-CB 3.76Å; I106-P153 HydrophobicContact CG2-CG 4.4Å; Y108-P153 HydrophobicContact CE1-CB 4.35Å; Y108-P153 HydrophobicContact CE2-CB 4.45Å |
| 154 | L | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 161.8 | -172.9 | -59.1 | 171.3 | 0 | 0 | 0 | 111 | L54 R57 I58 I106 Q107 L109 F120 S156 | L54-L154 HydrophobicContact CD1-CD1 3.27Å; L54-L154 HydrophobicContact CD1-CD2 3.62Å; L54-L154 HydrophobicContact CD1-CG 4.06Å; L54-L154 HydrophobicContact CG-CD2 4.47Å; R57-L154 HydrophobicContact CB-CB 4.19Å; R57-L154 HydrophobicContact CB-CD2 4.44Å; I58-L154 HydrophobicContact CG1-CD2 3.48Å; I58-L154 VanDerWaalsContact CG1-CD2 3.48Å; I106-L154 CarbonylContact C-O 3.56Å; I106-L154 WeakPolarHBondContact CA-O 3.19Å; Q107-L154 PolarHBondContact N-O 3.13Å; Q107-L154 PolarHBondContact O-N 3.48Å; L109-L154 HydrophobicContact CB-CD1 3.63Å; L109-L154 HydrophobicContact CD2-CD1 3.88Å; L109-L154 HydrophobicContact CG-CD1 4.39Å; F120-L154 HydrophobicContact CE1-CB 4.14Å; F120-L154 HydrophobicContact CE1-CD1 4.33Å; L154-S156 PolarHBondContact O-N 2.91Å |
| 155 | W | 98.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 121.8 | 166.4 | -178.3 | -107 | 0 | 0 | 0 | 110.4 | R57 V60 A64 I74 V76 T102 K105 S157 S158 | R57-W155 HydrophobicContact CB-CB 4.27Å; R57-W155 WeakPolarHBondContact CD-O 3.32Å; R57-W155 WeakPolarHBondContact CG-O 3.49Å; R57-W155 PolarHBondContact NH1-O 3.41Å; R57-W155 PolarHBondContact O-N 3.35Å; V60-W155 HydrophobicContact CB-CB 3.8Å; V60-W155 HydrophobicContact CB-CD2 4.49Å; V60-W155 HydrophobicContact CB-CG 3.97Å; V60-W155 HydrophobicContact CG1-CB 3.68Å; V60-W155 HydrophobicContact CG1-CD2 3.42Å; V60-W155 VanDerWaalsContact CG1-CD2 3.42Å; V60-W155 HydrophobicContact CG1-CE3 3.86Å; V60-W155 HydrophobicContact CG1-CG 3.35Å; A64-W155 HydrophobicContact CB-CE3 4.17Å; A64-W155 HydrophobicContact CB-CZ3 4.02Å; I74-W155 HydrophobicContact CD1-CH2 4.28Å; I74-W155 HydrophobicContact CD1-CZ3 4.24Å; I74-W155 HydrophobicContact CG1-CH2 4.06Å; I74-W155 HydrophobicContact CG1-CZ3 4.28Å; V76-W155 HydrophobicContact CG2-CZ2 3.81Å; T102-W155 HydrophobicContact CG2-CZ3 4.17Å; K105-W155 HydrophobicContact CB-CD2 4.39Å; K105-W155 HydrophobicContact CB-CE3 3.8Å; K105-W155 HydrophobicContact CB-CH2 3.78Å; K105-W155 HydrophobicContact CB-CZ2 4.34Å; K105-W155 HydrophobicContact CB-CZ3 3.46Å; K105-W155 VanDerWaalsContact CB-CZ3 3.46Å; K105-W155 HydrophobicContact CD-CH2 3.39Å; K105-W155 HydrophobicContact CD-CZ2 3.82Å; K105-W155 HydrophobicContact CD-CZ3 3.97Å; K105-W155 HydrophobicContact CG-CH2 4.23Å; K105-W155 HydrophobicContact CG-CZ3 4.37Å; K105-W155 WeakPolarHBondContact O-CA 3.47Å; W155-S157 VanDerWaalsContact CD1-O 3.28Å; W155-S157 PolarHBondContact NE1-O 3.2Å; W155-S158 PolarHBondContact NE1-O 2.81Å |
| 156 | S | 96.8 | Very high | 95.4 | Very high | 27 Ų | 27 | 38.9 Ų | 38.9 | 19% | 0.189 | 21% | 0.21 | C | C | . | . | trans | -95.6 | -15 | -177.7 | 62.9 | 0 | 0 | 0 | 0 | 114.6 | K105 Q107 L154 | K105-S156 PolarHBondContact O-N 3.2Å; K105-S156 PolarHBondContact O-OG 2.58Å; K105-S156 VanDerWaalsContact O-OG 3.12Å; Q107-S156 PolarHBondContact OE1-OG 2.89Å; L154-S156 PolarHBondContact O-N 2.91Å | ||
| 157 | S | 95.8 | Very high | 96.1 | Very high | 47 Ų | 47 | 36.7 Ų | 36.7 | 33% | 0.329 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -86.9 | -171.8 | -178.4 | -159.7 | 0 | 0 | 0 | 0 | 112.7 | R57 W155 | R57-S157 PolarHBondContact NH1-O 3.17Å; W155-S157 VanDerWaalsContact CD1-O 3.28Å; W155-S157 PolarHBondContact NE1-O 3.2Å |
| 158 | S | 96.1 | Very high | 96.4 | Very high | 68 Ų | 68 | 38.3 Ų | 38.3 | 48% | 0.476 | 20% | 0.204 | S | C | . | . | trans | -59 | 142.5 | -179.9 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | W155 F160 | W155-S158 PolarHBondContact NE1-O 2.81Å; S158-F160 PolarHBondContact OG-N 2.78Å; S158-F160 PolarHBondContact OG-O 2.85Å | ||
| 159 | L | 97.6 | Very high | 96.6 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -92.9 | -4.2 | 171.2 | -68.7 | 174.6 | 0 | 0 | 0 | 112.5 | E53 A56 R57 V60 V76 F78 A79 | E53-L159 HydrophobicContact CG-CD1 3.93Å; A56-L159 HydrophobicContact CB-CD1 4.25Å; A56-L159 HydrophobicContact CB-CD2 4.44Å; R57-L159 HydrophobicContact CG-CD1 4.07Å; R57-L159 HydrophobicContact CG-CD2 4.02Å; R57-L159 HydrophobicContact CG-CG 4.4Å; V60-L159 HydrophobicContact CG2-CD2 3.98Å; V76-L159 VanDerWaalsContact CG1-O 3.28Å; V76-L159 WeakPolarHBondContact CG1-O 3.45Å; F78-L159 CarbonylContact C-O 3.57Å; F78-L159 VanDerWaalsContact CA-O 3.26Å; F78-L159 WeakPolarHBondContact CA-O 3.3Å; A79-L159 HydrophobicContact CB-CB 4.35Å; A79-L159 HydrophobicContact CB-CD2 4.16Å; A79-L159 PolarHBondContact N-O 3.4Å |
| 160 | F | 97 | Very high | 96.9 | Very high | 37 Ų | 37 | 42.5 Ų | 42.5 | 16% | 0.162 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -138.5 | 142.2 | -170.5 | -50.8 | -68.2 | 0 | 0 | 0 | 112.1 | F78 A79 S158 L165 L187 E190 S191 | F78-F160 HydrophobicContact CB-CD1 4.38Å; A79-F160 VanDerWaalsContact O-CE1 3.28Å; A79-F160 WeakPolarHBondContact O-CE1 3.43Å; S158-F160 PolarHBondContact OG-N 2.78Å; S158-F160 PolarHBondContact OG-O 2.85Å; F160-L165 HydrophobicContact CB-CD1 4.04Å; F160-L165 HydrophobicContact CD1-CD1 4.17Å; F160-L165 HydrophobicContact CG-CD1 4.42Å; F160-L187 HydrophobicContact CE1-CD2 3.74Å; F160-L187 HydrophobicContact CZ-CD2 4.37Å; F160-E190 HydrophobicContact CE2-CB 4.13Å; F160-E190 HydrophobicContact CZ-CB 4.26Å; F160-S191 VanDerWaalsContact CB-CB 3.45Å |
| 161 | N | 97.3 | Very high | 97 | Very high | 40 Ų | 40 | 42.4 Ų | 42.4 | 21% | 0.214 | 22% | 0.22 | C | C | . | . | trans | -108.9 | 101.6 | 161.8 | -177.5 | -51.8 | 0 | 0 | 0 | 108.1 | E75 L77 G163 F164 L165 | E75-N161 PolarHBondContact OE1-ND2 3.4Å; L77-N161 PolarHBondContact O-N 3.1Å; N161-G163 VanDerWaalsContact C-N 3.25Å; N161-G163 PolarHBondContact O-N 2.98Å; N161-G163 PolarHBondContact OD1-N 2.74Å; N161-G163 VanDerWaalsContact OD1-N 3.17Å; N161-F164 HydrophobicContact CB-CB 3.93Å; N161-F164 WeakPolarHBondContact O-CB 3.29Å; N161-F164 PolarHBondContact O-N 3.2Å; N161-F164 PolarHBondContact OD1-N 2.79Å; N161-L165 PolarHBondContact O-N 3.47Å | ||
| 162 | T | 96.1 | Very high | 97.1 | Very high | 39 Ų | 39 | 42.5 Ų | 42.5 | 24% | 0.239 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.5 | -38.6 | -177.1 | -49.7 | 0 | 0 | 0 | 0 | 112.5 | F164 L165 K166 S191 E192 | T162-F164 VanDerWaalsContact C-N 3.34Å; T162-F164 PolarHBondContact O-N 2.96Å; T162-L165 PolarHBondContact O-N 3.31Å; T162-K166 HydrophobicContact CG2-CD 4.16Å; T162-K166 HydrophobicContact CG2-CG 4.48Å; T162-K166 WeakPolarHBondContact O-CB 3.49Å; T162-K166 WeakPolarHBondContact O-CG 3.42Å; T162-K166 PolarHBondContact O-N 3.42Å; T162-S191 WeakPolarHBondContact CB-OG 3.25Å; T162-S191 WeakPolarHBondContact CG2-OG 3.34Å; T162-S191 WeakPolarHBondContact OG1-CB 3.44Å; T162-S191 PolarHBondContact OG1-OG 3.13Å; T162-E192 HydrophobicContact CG2-CG 4.03Å |
| 163 | G | 96.9 | Very high | 97.1 | Very high | 32 Ų | 32 | 47 Ų | 47 | 33% | 0.33 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.9 | -36.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N161 R167 | N161-G163 VanDerWaalsContact C-N 3.25Å; N161-G163 PolarHBondContact O-N 2.98Å; N161-G163 PolarHBondContact OD1-N 2.74Å; N161-G163 VanDerWaalsContact OD1-N 3.17Å; G163-R167 WeakPolarHBondContact O-CG 3.36Å; G163-R167 VanDerWaalsContact O-CZ 3.32Å; G163-R167 PolarHBondContact O-N 3.34Å |
| 164 | F | 97.8 | Very high | 97.1 | Very high | 42 Ų | 42 | 52 Ų | 52 | 18% | 0.184 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.9 | -45.8 | 173.3 | -173.1 | -88.7 | 0 | 0 | 0 | 111.4 | L77 F78 N161 T162 K166 R167 M168 | L77-F164 HydrophobicContact CB-CD1 3.93Å; L77-F164 HydrophobicContact CB-CD2 4.47Å; L77-F164 HydrophobicContact CB-CE1 4.19Å; L77-F164 HydrophobicContact CB-CG 4.09Å; L77-F164 HydrophobicContact CD1-CD2 4.03Å; L77-F164 HydrophobicContact CD1-CE1 4.38Å; L77-F164 HydrophobicContact CD1-CE2 3.75Å; L77-F164 HydrophobicContact CD1-CG 4.47Å; L77-F164 HydrophobicContact CD1-CZ 3.94Å; L77-F164 HydrophobicContact CD2-CB 4.42Å; L77-F164 HydrophobicContact CD2-CD2 4.01Å; L77-F164 HydrophobicContact CD2-CG 4.17Å; L77-F164 HydrophobicContact CG-CD2 4.41Å; L77-F164 HydrophobicContact CG-CG 4.48Å; F78-F164 HydrophobicContact CD1-CD1 4.13Å; F78-F164 AromaticContact CD1-CE1 3.89Å; F78-F164 HydrophobicContact CD1-CE1 3.89Å; F78-F164 AromaticContact CE1-CE1 3.93Å; F78-F164 HydrophobicContact CE1-CE1 3.93Å; N161-F164 HydrophobicContact CB-CB 3.93Å; N161-F164 WeakPolarHBondContact O-CB 3.29Å; N161-F164 PolarHBondContact O-N 3.2Å; N161-F164 PolarHBondContact OD1-N 2.79Å; T162-F164 VanDerWaalsContact C-N 3.34Å; T162-F164 PolarHBondContact O-N 2.96Å; F164-K166 PolarHBondContact O-N 3.21Å; F164-R167 PolarHBondContact O-N 3.04Å; F164-M168 HydrophobicContact CE1-SD 4.03Å; F164-M168 WeakPolarHBondContact O-CB 3.47Å; F164-M168 PolarHBondContact O-N 3.46Å |
| 165 | L | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 178.5 | -70.9 | 171.4 | 0 | 0 | 0 | 112.7 | F78 F160 N161 T162 R167 M168 L169 L187 I188 | F78-L165 HydrophobicContact CB-CD2 3.8Å; F78-L165 HydrophobicContact CB-CG 4.43Å; F78-L165 HydrophobicContact CD1-CD2 4.49Å; F78-L165 HydrophobicContact CG-CD2 4.21Å; F160-L165 HydrophobicContact CB-CD1 4.04Å; F160-L165 HydrophobicContact CD1-CD1 4.17Å; F160-L165 HydrophobicContact CG-CD1 4.42Å; N161-L165 PolarHBondContact O-N 3.47Å; T162-L165 PolarHBondContact O-N 3.31Å; L165-R167 PolarHBondContact O-N 3.17Å; L165-M168 HydrophobicContact CD2-CE 3.94Å; L165-M168 WeakPolarHBondContact O-CB 3.48Å; L165-M168 PolarHBondContact O-N 2.7Å; L165-M168 VanDerWaalsContact O-N 3.16Å; L165-L169 PolarHBondContact O-N 3.5Å; L165-L187 HydrophobicContact CD1-CB 3.94Å; L165-L187 HydrophobicContact CD2-CB 4Å; L165-L187 HydrophobicContact CD2-CD1 4.16Å; L165-I188 HydrophobicContact CB-CD1 4.47Å; L165-I188 HydrophobicContact CB-CG1 3.65Å |
| 166 | K | 97.8 | Very high | 96.9 | Very high | 104 Ų | 104 | 60.6 Ų | 60.6 | 45% | 0.452 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 175.6 | -74.9 | 177.7 | 178.5 | 174.8 | 0 | 112.2 | T162 F164 L169 F170 I188 E192 | T162-K166 HydrophobicContact CG2-CD 4.16Å; T162-K166 HydrophobicContact CG2-CG 4.48Å; T162-K166 WeakPolarHBondContact O-CB 3.49Å; T162-K166 WeakPolarHBondContact O-CG 3.42Å; T162-K166 PolarHBondContact O-N 3.42Å; F164-K166 PolarHBondContact O-N 3.21Å; K166-L169 PolarHBondContact O-N 3.15Å; K166-F170 PolarHBondContact O-N 3.33Å; K166-F170 VanDerWaalsContact O-N 3.09Å; K166-I188 HydrophobicContact CG-CD1 4.13Å; K166-I188 HydrophobicContact CG-CG1 4.4Å; K166-I188 HydrophobicContact CG-CG2 4.38Å; K166-E192 WeakPolarHBondContact CE-OE1 3.49Å; K166-E192 IonicContact NZ-OE1 3.89Å; K166-E192 PolarHBondContact NZ-OE1 2.93Å |
| 167 | R | 97.8 | Very high | 96.8 | Very high | 139 Ų | 139 | 63.6 Ų | 63.6 | 53% | 0.525 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 172.3 | -74.4 | -172.5 | -64.5 | -91.3 | -3.6 | 111.7 | G163 F164 L165 L169 F170 E171 | G163-R167 WeakPolarHBondContact O-CG 3.36Å; G163-R167 VanDerWaalsContact O-CZ 3.32Å; G163-R167 PolarHBondContact O-N 3.34Å; F164-R167 PolarHBondContact O-N 3.04Å; L165-R167 PolarHBondContact O-N 3.17Å; R167-L169 VanDerWaalsContact C-N 3.3Å; R167-L169 PolarHBondContact O-N 2.88Å; R167-F170 WeakPolarHBondContact O-CB 3.49Å; R167-F170 PolarHBondContact O-N 3.32Å; R167-E171 WeakPolarHBondContact O-CG 3.36Å; R167-E171 PolarHBondContact O-N 3.38Å |
| 168 | M | 97.3 | Very high | 96.8 | Very high | 47 Ų | 47 | 66.4 Ų | 66.4 | 23% | 0.232 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 177.3 | -161.2 | 168.3 | 80.8 | 0 | 0 | 112 | F78 F164 L165 S172 I184 | F78-M168 HydrophobicContact CD1-SD 4.4Å; F78-M168 HydrophobicContact CE1-CE 4.36Å; F78-M168 HydrophobicContact CE1-SD 3.88Å; F78-M168 HydrophobicContact CZ-CE 4.46Å; F78-M168 HydrophobicContact CZ-SD 4.28Å; F164-M168 HydrophobicContact CE1-SD 4.03Å; F164-M168 WeakPolarHBondContact O-CB 3.47Å; F164-M168 PolarHBondContact O-N 3.46Å; L165-M168 HydrophobicContact CD2-CE 3.94Å; L165-M168 WeakPolarHBondContact O-CB 3.48Å; L165-M168 PolarHBondContact O-N 2.7Å; L165-M168 VanDerWaalsContact O-N 3.16Å; M168-S172 WeakPolarHBondContact O-CB 3.41Å; M168-S172 PolarHBondContact O-N 2.85Å; M168-S172 PolarHBondContact O-OG 3.32Å; M168-I184 HydrophobicContact CE-CB 4.42Å; M168-I184 HydrophobicContact CE-CD1 3.78Å; M168-I184 HydrophobicContact CE-CG1 3.54Å; M168-I184 HydrophobicContact CE-CG2 4.15Å; M168-I184 HydrophobicContact CG-CD1 3.99Å |
| 169 | L | 97.8 | Very high | 96.7 | Very high | 32 Ų | 32 | 70.9 Ų | 70.9 | 17% | 0.168 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 173.5 | -177.9 | 60.1 | 0 | 0 | 0 | 111.4 | L165 K166 R167 E171 S172 L173 Q181 I184 K185 I188 | L165-L169 PolarHBondContact O-N 3.5Å; K166-L169 PolarHBondContact O-N 3.15Å; R167-L169 VanDerWaalsContact C-N 3.3Å; R167-L169 PolarHBondContact O-N 2.88Å; L169-E171 PolarHBondContact O-N 3.2Å; L169-S172 WeakPolarHBondContact CA-OG 3.49Å; L169-S172 PolarHBondContact O-N 3.17Å; L169-S172 PolarHBondContact O-OG 2.9Å; L169-L173 WeakPolarHBondContact O-CG 3.47Å; L169-L173 PolarHBondContact O-N 2.92Å; L169-L173 VanDerWaalsContact O-N 3.15Å; L169-Q181 HydrophobicContact CD1-CB 4.28Å; L169-Q181 HydrophobicContact CD1-CG 4.28Å; L169-I184 HydrophobicContact CB-CG2 3.74Å; L169-I184 HydrophobicContact CD1-CB 4.4Å; L169-I184 HydrophobicContact CD1-CG2 4.35Å; L169-K185 HydrophobicContact CD1-CG 4.1Å; L169-K185 HydrophobicContact CD2-CG 4.01Å; L169-I188 HydrophobicContact CB-CD1 4Å; L169-I188 HydrophobicContact CD2-CD1 3.77Å |
| 170 | F | 97.8 | Very high | 96.6 | Very high | 106 Ų | 106 | 73.9 Ų | 73.9 | 47% | 0.465 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.5 | -49.6 | 177.8 | 179.4 | -95.9 | 0 | 0 | 0 | 112.1 | K166 R167 S172 L173 H174 | K166-F170 PolarHBondContact O-N 3.33Å; K166-F170 VanDerWaalsContact O-N 3.09Å; R167-F170 WeakPolarHBondContact O-CB 3.49Å; R167-F170 PolarHBondContact O-N 3.32Å; F170-S172 VanDerWaalsContact C-N 3.32Å; F170-S172 PolarHBondContact O-N 3.4Å; F170-L173 WeakPolarHBondContact O-CB 3.3Å; F170-L173 PolarHBondContact O-N 2.74Å; F170-H174 AromaticContact CE1-CD2 3.44Å; F170-H174 VanDerWaalsContact CE1-CD2 3.44Å; F170-H174 WeakPolarHBondContact CE1-CD2 3.16Å; F170-H174 AromaticContact CE1-NE2 3.34Å; F170-H174 VanDerWaalsContact CE1-NE2 3.34Å; F170-H174 WeakPolarHBondContact CE1-NE2 3.48Å; F170-H174 AromaticContact CE2-CE1 3.89Å; F170-H174 AromaticContact CE2-NE2 3.71Å; F170-H174 AromaticContact CZ-CD2 3.65Å; F170-H174 AromaticContact CZ-CE1 3.65Å; F170-H174 AromaticContact CZ-NE2 2.99Å; F170-H174 WeakPolarHBondContact CZ-NE2 3.2Å; F170-H174 PolarHBondContact O-N 2.88Å |
| 171 | E | 97.3 | Very high | 96.5 | Very high | 93 Ų | 93 | 73.1 Ų | 73.1 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64 | -36.9 | 177.5 | -63.7 | -57.4 | 155.9 | 0 | 0 | 112.1 | R167 L169 L173 H174 H175 | R167-E171 WeakPolarHBondContact O-CG 3.36Å; R167-E171 PolarHBondContact O-N 3.38Å; L169-E171 PolarHBondContact O-N 3.2Å; E171-L173 VanDerWaalsContact C-N 3.27Å; E171-L173 PolarHBondContact O-N 2.84Å; E171-H174 PolarHBondContact O-N 3.03Å; E171-H175 PolarHBondContact O-CD2 3.33Å; E171-H175 VanDerWaalsContact O-CD2 3.23Å; E171-H175 PolarHBondContact O-N 2.95Å; E171-H175 IonicContact OE2-NE2 3.82Å |
| 172 | S | 97.2 | Very high | 96.5 | Very high | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.014 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.9 | -33.2 | 177.5 | 72.3 | 0 | 0 | 0 | 0 | 113 | M168 L169 F170 G176 L177 Q181 | M168-S172 WeakPolarHBondContact O-CB 3.41Å; M168-S172 PolarHBondContact O-N 2.85Å; M168-S172 PolarHBondContact O-OG 3.32Å; L169-S172 WeakPolarHBondContact CA-OG 3.49Å; L169-S172 PolarHBondContact O-N 3.17Å; L169-S172 PolarHBondContact O-OG 2.9Å; F170-S172 VanDerWaalsContact C-N 3.32Å; F170-S172 PolarHBondContact O-N 3.4Å; S172-G176 PolarHBondContact O-N 3.49Å; S172-L177 PolarHBondContact O-N 2.87Å; S172-Q181 WeakPolarHBondContact OG-CG 3.31Å |
| 173 | L | 96 | Very high | 96.5 | Very high | 97 Ų | 97 | 77.3 Ų | 77.3 | 51% | 0.508 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71.3 | -41.8 | 174.9 | -69.6 | 164.7 | 0 | 0 | 0 | 111.1 | L169 F170 E171 H175 G176 | L169-L173 WeakPolarHBondContact O-CG 3.47Å; L169-L173 PolarHBondContact O-N 2.92Å; L169-L173 VanDerWaalsContact O-N 3.15Å; F170-L173 WeakPolarHBondContact O-CB 3.3Å; F170-L173 PolarHBondContact O-N 2.74Å; E171-L173 VanDerWaalsContact C-N 3.27Å; E171-L173 PolarHBondContact O-N 2.84Å; L173-H175 VanDerWaalsContact C-N 3.31Å; L173-H175 PolarHBondContact O-N 3.07Å; L173-G176 PolarHBondContact O-N 2.8Å |
| 174 | H | 96.1 | Very high | 96.4 | Very high | 126 Ų | 126 | 76 Ų | 76 | 58% | 0.583 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -66.2 | -32.5 | 178.6 | -79 | -0.1 | 0 | 0 | 0 | 113.6 | F170 E171 | F170-H174 AromaticContact CE1-CD2 3.44Å; F170-H174 VanDerWaalsContact CE1-CD2 3.44Å; F170-H174 WeakPolarHBondContact CE1-CD2 3.16Å; F170-H174 AromaticContact CE1-NE2 3.34Å; F170-H174 VanDerWaalsContact CE1-NE2 3.34Å; F170-H174 WeakPolarHBondContact CE1-NE2 3.48Å; F170-H174 AromaticContact CE2-CE1 3.89Å; F170-H174 AromaticContact CE2-NE2 3.71Å; F170-H174 AromaticContact CZ-CD2 3.65Å; F170-H174 AromaticContact CZ-CE1 3.65Å; F170-H174 AromaticContact CZ-NE2 2.99Å; F170-H174 WeakPolarHBondContact CZ-NE2 3.2Å; F170-H174 PolarHBondContact O-N 2.88Å; E171-H174 PolarHBondContact O-N 3.03Å |
| 175 | H | 95.7 | Very high | 96.4 | Very high | 133 Ų | 133 | 79.2 Ų | 79.2 | 62% | 0.616 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 4.4 | -180 | -68.9 | -65.3 | 0 | 0 | 0 | 114.4 | E171 L173 L177 | E171-H175 PolarHBondContact O-CD2 3.33Å; E171-H175 VanDerWaalsContact O-CD2 3.23Å; E171-H175 PolarHBondContact O-N 2.95Å; E171-H175 IonicContact OE2-NE2 3.82Å; L173-H175 VanDerWaalsContact C-N 3.31Å; L173-H175 PolarHBondContact O-N 3.07Å; H175-L177 VanDerWaalsContact C-N 3.32Å; H175-L177 HydrophobicContact CB-CD1 4.28Å; H175-L177 HydrophobicContact CB-CG 4.08Å; H175-L177 PolarHBondContact O-N 3.45Å |
| 176 | G | 94.8 | Very high | 96.3 | Very high | 50 Ų | 50 | 82.2 Ų | 82.2 | 52% | 0.515 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 33.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | S172 L173 D178 | S172-G176 PolarHBondContact O-N 3.49Å; L173-G176 PolarHBondContact O-N 2.8Å; G176-D178 VanDerWaalsContact C-N 3.29Å; G176-D178 PolarHBondContact O-N 3.37Å |
| 177 | L | 95.6 | Very high | 96.2 | Very high | 90 Ų | 90 | 77.6 Ų | 77.6 | 47% | 0.471 | 40% | 0.397 | S | S | . | . | trans | -88.8 | 63.2 | 179.6 | -60.8 | 176.5 | 0 | 0 | 0 | 110.5 | S172 H175 D179 I180 Q181 | S172-L177 PolarHBondContact O-N 2.87Å; H175-L177 VanDerWaalsContact C-N 3.32Å; H175-L177 HydrophobicContact CB-CD1 4.28Å; H175-L177 HydrophobicContact CB-CG 4.08Å; H175-L177 PolarHBondContact O-N 3.45Å; L177-D179 VanDerWaalsContact C-N 3.34Å; L177-D179 PolarHBondContact O-N 3.43Å; L177-I180 HydrophobicContact CB-CD1 3.95Å; L177-I180 HydrophobicContact CB-CG1 3.96Å; L177-I180 HydrophobicContact CD1-CD1 4.05Å; L177-I180 VanDerWaalsContact O-CG1 3.28Å; L177-I180 WeakPolarHBondContact O-CG1 3.49Å; L177-I180 PolarHBondContact O-N 3.33Å; L177-Q181 WeakPolarHBondContact O-CG 3.3Å | ||
| 178 | D | 94.8 | Very high | 96.1 | Very high | 106 Ų | 106 | 71.9 Ų | 71.9 | 57% | 0.567 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.1 | -35.9 | -169.9 | -63.4 | -37.5 | 0 | 0 | 0 | 113.4 | G176 I180 Q181 | G176-D178 VanDerWaalsContact C-N 3.29Å; G176-D178 PolarHBondContact O-N 3.37Å; D178-I180 PolarHBondContact O-N 3.09Å; D178-I180 VanDerWaalsContact O-N 3.14Å; D178-Q181 PolarHBondContact O-N 3Å; D178-Q181 VanDerWaalsContact O-N 3.15Å; D178-Q181 PolarHBondContact OD1-NE2 3.03Å |
| 179 | D | 95.2 | Very high | 96 | Very high | 163 Ų | 163 | 76.3 Ų | 76.3 | 87% | 0.872 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.2 | -28.6 | -176 | -64.7 | -24.3 | 0 | 0 | 0 | 113.8 | L177 | L177-D179 VanDerWaalsContact C-N 3.34Å; L177-D179 PolarHBondContact O-N 3.43Å |
| 180 | I | 94.4 | Very high | 95.7 | Very high | 74 Ų | 74 | 79.1 Ų | 79.1 | 38% | 0.379 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -95.1 | -15.6 | -177.6 | 64.3 | 172.8 | 0 | 0 | 0 | 112.9 | L177 D178 T182 L183 I184 | L177-I180 HydrophobicContact CB-CD1 3.95Å; L177-I180 HydrophobicContact CB-CG1 3.96Å; L177-I180 HydrophobicContact CD1-CD1 4.05Å; L177-I180 VanDerWaalsContact O-CG1 3.28Å; L177-I180 WeakPolarHBondContact O-CG1 3.49Å; L177-I180 PolarHBondContact O-N 3.33Å; D178-I180 PolarHBondContact O-N 3.09Å; D178-I180 VanDerWaalsContact O-N 3.14Å; I180-T182 VanDerWaalsContact C-N 3.31Å; I180-T182 PolarHBondContact O-N 3.26Å; I180-L183 WeakPolarHBondContact O-CB 3.09Å; I180-L183 PolarHBondContact O-N 2.96Å; I180-L183 VanDerWaalsContact O-N 3.13Å; I180-I184 HydrophobicContact CB-CD1 4.49Å; I180-I184 HydrophobicContact CD1-CD1 3.94Å; I180-I184 HydrophobicContact CG1-CD1 3.99Å; I180-I184 WeakPolarHBondContact O-CG1 3.4Å; I180-I184 PolarHBondContact O-N 2.85Å |
| 181 | Q | 95.4 | Very high | 95.5 | Very high | 20 Ų | 20 | 74.6 Ų | 74.6 | 9% | 0.093 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.9 | -39.4 | -172.1 | -72.1 | 175.1 | 25.8 | 0 | 0 | 112.7 | L169 S172 L177 D178 I184 K185 | L169-Q181 HydrophobicContact CD1-CB 4.28Å; L169-Q181 HydrophobicContact CD1-CG 4.28Å; S172-Q181 WeakPolarHBondContact OG-CG 3.31Å; L177-Q181 WeakPolarHBondContact O-CG 3.3Å; D178-Q181 PolarHBondContact O-N 3Å; D178-Q181 VanDerWaalsContact O-N 3.15Å; D178-Q181 PolarHBondContact OD1-NE2 3.03Å; Q181-I184 PolarHBondContact O-N 2.72Å; Q181-K185 WeakPolarHBondContact O-CB 3.44Å; Q181-K185 VanDerWaalsContact O-CG 3.3Å; Q181-K185 WeakPolarHBondContact O-CG 3.34Å; Q181-K185 PolarHBondContact O-N 3.04Å |
| 182 | T | 96.5 | Very high | 95.2 | Very high | 101 Ų | 101 | 75.2 Ų | 75.2 | 62% | 0.62 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60 | -47.2 | 177.2 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | I180 I184 K185 T186 | I180-T182 VanDerWaalsContact C-N 3.31Å; I180-T182 PolarHBondContact O-N 3.26Å; T182-I184 PolarHBondContact O-N 3.1Å; T182-K185 PolarHBondContact O-N 2.88Å; T182-T186 PolarHBondContact O-N 2.89Å; T182-T186 PolarHBondContact O-OG1 3.04Å |
| 183 | L | 95.9 | Very high | 94 | Very high | 67 Ų | 67 | 78.6 Ų | 78.6 | 35% | 0.351 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 177.1 | 177.6 | 61.7 | 0 | 0 | 0 | 111.2 | V80 I180 K185 T186 L187 | V80-L183 HydrophobicContact CG1-CD2 4.49Å; I180-L183 WeakPolarHBondContact O-CB 3.09Å; I180-L183 PolarHBondContact O-N 2.96Å; I180-L183 VanDerWaalsContact O-N 3.13Å; L183-K185 VanDerWaalsContact C-N 3.33Å; L183-K185 PolarHBondContact O-N 3.18Å; L183-T186 WeakPolarHBondContact O-CB 3.3Å; L183-T186 PolarHBondContact O-N 2.88Å; L183-L187 HydrophobicContact CD1-CD1 4.48Å; L183-L187 HydrophobicContact CD1-CG 4.38Å; L183-L187 HydrophobicContact CG-CD1 4.22Å; L183-L187 WeakPolarHBondContact O-CG 3.36Å; L183-L187 PolarHBondContact O-N 3.45Å |
| 184 | I | 96.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 78.8 Ų | 78.8 | 2% | 0.015 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 179.3 | -59.3 | 174 | 0 | 0 | 0 | 111.1 | M168 L169 I180 Q181 T182 T186 L187 I188 | M168-I184 HydrophobicContact CE-CB 4.42Å; M168-I184 HydrophobicContact CE-CD1 3.78Å; M168-I184 HydrophobicContact CE-CG1 3.54Å; M168-I184 HydrophobicContact CE-CG2 4.15Å; M168-I184 HydrophobicContact CG-CD1 3.99Å; L169-I184 HydrophobicContact CB-CG2 3.74Å; L169-I184 HydrophobicContact CD1-CB 4.4Å; L169-I184 HydrophobicContact CD1-CG2 4.35Å; I180-I184 HydrophobicContact CB-CD1 4.49Å; I180-I184 HydrophobicContact CD1-CD1 3.94Å; I180-I184 HydrophobicContact CG1-CD1 3.99Å; I180-I184 WeakPolarHBondContact O-CG1 3.4Å; I180-I184 PolarHBondContact O-N 2.85Å; Q181-I184 PolarHBondContact O-N 2.72Å; T182-I184 PolarHBondContact O-N 3.1Å; I184-T186 VanDerWaalsContact C-N 3.33Å; I184-T186 PolarHBondContact O-N 3.21Å; I184-L187 PolarHBondContact O-N 3Å; I184-I188 HydrophobicContact CG2-CD1 3.99Å; I184-I188 HydrophobicContact CG2-CG1 4.41Å; I184-I188 WeakPolarHBondContact O-CG1 3.42Å; I184-I188 PolarHBondContact O-N 2.83Å |
| 185 | K | 96.3 | Very high | 90.1 | Very high | 111 Ų | 111 | 77.5 Ų | 77.5 | 48% | 0.483 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 176.4 | -73.2 | 169.2 | -177.3 | 170.5 | 0 | 111.4 | L169 Q181 T182 L183 I188 F189 | L169-K185 HydrophobicContact CD1-CG 4.1Å; L169-K185 HydrophobicContact CD2-CG 4.01Å; Q181-K185 WeakPolarHBondContact O-CB 3.44Å; Q181-K185 VanDerWaalsContact O-CG 3.3Å; Q181-K185 WeakPolarHBondContact O-CG 3.34Å; Q181-K185 PolarHBondContact O-N 3.04Å; T182-K185 PolarHBondContact O-N 2.88Å; L183-K185 VanDerWaalsContact C-N 3.33Å; L183-K185 PolarHBondContact O-N 3.18Å; K185-I188 PolarHBondContact O-N 3.1Å; K185-F189 PolarHBondContact O-N 3.16Å |
| 186 | T | 95.6 | Very high | 87.3 | Confident | 63 Ų | 63 | 79.8 Ų | 79.8 | 39% | 0.387 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.6 | -46.3 | 173.7 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | T182 L183 I184 I188 F189 E190 | T182-T186 PolarHBondContact O-N 2.89Å; T182-T186 PolarHBondContact O-OG1 3.04Å; L183-T186 WeakPolarHBondContact O-CB 3.3Å; L183-T186 PolarHBondContact O-N 2.88Å; I184-T186 VanDerWaalsContact C-N 3.33Å; I184-T186 PolarHBondContact O-N 3.21Å; T186-I188 VanDerWaalsContact C-N 3.32Å; T186-I188 PolarHBondContact O-N 3.2Å; T186-F189 WeakPolarHBondContact O-CB 3.43Å; T186-F189 PolarHBondContact O-N 3.44Å; T186-E190 HydrophobicContact CG2-CG 4.46Å; T186-E190 WeakPolarHBondContact O-CG 3.15Å; T186-E190 PolarHBondContact O-N 3.02Å |
| 187 | L | 95.4 | Very high | 84.6 | Confident | 7 Ų | 7 | 82 Ų | 82 | 4% | 0.037 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.8 | -35.4 | 178.7 | -62.2 | 169.4 | 0 | 0 | 0 | 112.6 | V80 F160 L165 L183 I184 S191 | V80-L187 HydrophobicContact CG2-CD1 3.47Å; V80-L187 VanDerWaalsContact CG2-CD1 3.47Å; V80-L187 HydrophobicContact CG2-CD2 3.67Å; V80-L187 HydrophobicContact CG2-CG 4.18Å; F160-L187 HydrophobicContact CE1-CD2 3.74Å; F160-L187 HydrophobicContact CZ-CD2 4.37Å; L165-L187 HydrophobicContact CD1-CB 3.94Å; L165-L187 HydrophobicContact CD2-CB 4Å; L165-L187 HydrophobicContact CD2-CD1 4.16Å; L183-L187 HydrophobicContact CD1-CD1 4.48Å; L183-L187 HydrophobicContact CD1-CG 4.38Å; L183-L187 HydrophobicContact CG-CD1 4.22Å; L183-L187 WeakPolarHBondContact O-CG 3.36Å; L183-L187 PolarHBondContact O-N 3.45Å; I184-L187 PolarHBondContact O-N 3Å; L187-S191 VanDerWaalsContact O-CB 3.29Å; L187-S191 WeakPolarHBondContact O-CB 3.37Å; L187-S191 PolarHBondContact O-N 2.89Å |
| 188 | I | 96.2 | Very high | 81.7 | Confident | 18 Ų | 18 | 85.4 Ų | 85.4 | 9% | 0.092 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 174.1 | -69.7 | 166 | 0 | 0 | 0 | 109.5 | L165 K166 L169 I184 K185 T186 E190 S191 E192 | L165-I188 HydrophobicContact CB-CD1 4.47Å; L165-I188 HydrophobicContact CB-CG1 3.65Å; K166-I188 HydrophobicContact CG-CD1 4.13Å; K166-I188 HydrophobicContact CG-CG1 4.4Å; K166-I188 HydrophobicContact CG-CG2 4.38Å; L169-I188 HydrophobicContact CB-CD1 4Å; L169-I188 HydrophobicContact CD2-CD1 3.77Å; I184-I188 HydrophobicContact CG2-CD1 3.99Å; I184-I188 HydrophobicContact CG2-CG1 4.41Å; I184-I188 WeakPolarHBondContact O-CG1 3.42Å; I184-I188 PolarHBondContact O-N 2.83Å; K185-I188 PolarHBondContact O-N 3.1Å; T186-I188 VanDerWaalsContact C-N 3.32Å; T186-I188 PolarHBondContact O-N 3.2Å; I188-E190 PolarHBondContact O-N 3.46Å; I188-S191 PolarHBondContact O-N 2.83Å; I188-S191 VanDerWaalsContact O-N 3.17Å; I188-S191 PolarHBondContact O-OG 3.13Å; I188-E192 WeakPolarHBondContact O-CG 3.2Å; I188-E192 PolarHBondContact O-N 3.3Å |
| 189 | F | 94.9 | Very high | 78.7 | Confident | 140 Ų | 140 | 88 Ų | 88 | 61% | 0.614 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -59.3 | -48.2 | 177.8 | -175.8 | -97.9 | 0 | 0 | 0 | 111.6 | K185 T186 S191 E192 C193 | K185-F189 PolarHBondContact O-N 3.16Å; T186-F189 WeakPolarHBondContact O-CB 3.43Å; T186-F189 PolarHBondContact O-N 3.44Å; F189-S191 VanDerWaalsContact C-N 3.29Å; F189-S191 PolarHBondContact O-N 3.23Å; F189-E192 PolarHBondContact O-N 3.34Å; F189-C193 PolarHBondContact O-N 3.35Å |
| 190 | E | 92.8 | Very high | 75.8 | Confident | 91 Ų | 91 | 85.9 Ų | 85.9 | 43% | 0.425 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.6 | -37.8 | 175.4 | -72.6 | 179.4 | -166.8 | 0 | 0 | 112.5 | F160 T186 I188 E192 C193 | F160-E190 HydrophobicContact CE2-CB 4.13Å; F160-E190 HydrophobicContact CZ-CB 4.26Å; T186-E190 HydrophobicContact CG2-CG 4.46Å; T186-E190 WeakPolarHBondContact O-CG 3.15Å; T186-E190 PolarHBondContact O-N 3.02Å; I188-E190 PolarHBondContact O-N 3.46Å; E190-E192 VanDerWaalsContact C-N 3.27Å; E190-E192 PolarHBondContact O-N 3.43Å; E190-C193 CarbonylContact O-C 3.57Å; E190-C193 PolarHBondContact O-N 3.09Å |
| 191 | S | 93.4 | Very high | 72.9 | Confident | 12 Ų | 12 | 88.8 Ų | 88.8 | 8% | 0.084 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -67.7 | -27 | 179.4 | 79.1 | 0 | 0 | 0 | 0 | 113.8 | F160 T162 L187 I188 F189 | F160-S191 VanDerWaalsContact CB-CB 3.45Å; T162-S191 WeakPolarHBondContact CB-OG 3.25Å; T162-S191 WeakPolarHBondContact CG2-OG 3.34Å; T162-S191 WeakPolarHBondContact OG1-CB 3.44Å; T162-S191 PolarHBondContact OG1-OG 3.13Å; L187-S191 VanDerWaalsContact O-CB 3.29Å; L187-S191 WeakPolarHBondContact O-CB 3.37Å; L187-S191 PolarHBondContact O-N 2.89Å; I188-S191 PolarHBondContact O-N 2.83Å; I188-S191 VanDerWaalsContact O-N 3.17Å; I188-S191 PolarHBondContact O-OG 3.13Å; F189-S191 VanDerWaalsContact C-N 3.29Å; F189-S191 PolarHBondContact O-N 3.23Å |
| 192 | E | 89.7 | Confident | 70 | Confident | 105 Ų | 105 | 95.6 Ų | 95.6 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -86.9 | -28.2 | 178 | -67.3 | 176.1 | 168 | 0 | 0 | 110.9 | T162 K166 I188 F189 E190 T194 | T162-E192 HydrophobicContact CG2-CG 4.03Å; K166-E192 WeakPolarHBondContact CE-OE1 3.49Å; K166-E192 IonicContact NZ-OE1 3.89Å; K166-E192 PolarHBondContact NZ-OE1 2.93Å; I188-E192 WeakPolarHBondContact O-CG 3.2Å; I188-E192 PolarHBondContact O-N 3.3Å; F189-E192 PolarHBondContact O-N 3.34Å; E190-E192 VanDerWaalsContact C-N 3.27Å; E190-E192 PolarHBondContact O-N 3.43Å; E192-T194 PolarHBondContact O-N 3Å |
| 193 | C | 73.5 | Confident | 66.8 | Low | 73 Ų | 73 | 95.7 Ų | 95.7 | 49% | 0.493 | 52% | 0.516 | S | S | . | . | trans | -76.1 | 62.9 | 168.8 | -69.3 | 0 | 0 | 0 | 0 | 111.8 | F189 E190 | F189-C193 PolarHBondContact O-N 3.35Å; E190-C193 CarbonylContact O-C 3.57Å; E190-C193 PolarHBondContact O-N 3.09Å | ||
| 194 | T | 57.3 | Low | 63.8 | Low | 101 Ų | 101 | 96.9 Ų | 96.9 | 62% | 0.62 | 53% | 0.53 | S | S | * | . | trans | -64.8 | 127 | 165.9 | -48.6 | 0 | 0 | 0 | 0 | 107.9 | E192 Q196 | E192-T194 PolarHBondContact O-N 3Å; T194-Q196 PolarHBondContact O-N 3.19Å; T194-Q196 VanDerWaalsContact O-N 3.1Å | ||
| 195 | P | 52.1 | Low | 60.7 | Low | 99 Ų | 99 | 101.6 Ų | 101.6 | 64% | 0.643 | 56% | 0.563 | S | S | * | * | trans | -57.6 | 123.9 | -179 | 18.2 | -28.1 | 0 | 0 | 0 | 109.5 | S197 | P195-S197 PolarHBondContact O-N 2.95Š| ||
| 196 | Q | 36.9 | Very low | 57.5 | Low | 181 Ų | 181 | 103.6 Ų | 103.6 | 85% | 0.846 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -60.3 | 31 | 179.9 | -114.2 | 163.8 | -14.3 | 0 | 0 | 114.5 | T194 | T194-Q196 PolarHBondContact O-N 3.19Å; T194-Q196 VanDerWaalsContact O-N 3.1Å |
| 197 | S | 37.3 | Very low | 54.5 | Low | 98 Ų | 98 | 106.1 Ų | 106.1 | 69% | 0.685 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -84.8 | -6.7 | 175.5 | 63.7 | 0 | 0 | 0 | 0 | 113.6 | P195 | P195-S197 PolarHBondContact O-N 2.95Š|
| 198 | Q | 36.5 | Very low | 51.5 | Low | 161 Ų | 161 | 113.5 Ų | 113.5 | 75% | 0.752 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -94.7 | 0.2 | 178 | -68.3 | -172.1 | -6.5 | 0 | 0 | 114.4 | ||
| 199 | F | 30.6 | Very low | 48.5 | Very low | 161 Ų | 161 | 121.6 Ų | 121.6 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | trans | -128.4 | 65.4 | 175 | -69.7 | -79 | 0 | 0 | 0 | 111.7 | I201 | F199-I201 VanDerWaalsContact C-N 3.32Å; F199-I201 HydrophobicContact CD1-CD1 4.06Å; F199-I201 HydrophobicContact CE1-CD1 4.43Å | ||
| 200 | S | 34.1 | Very low | 45.7 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 83% | 0.825 | 68% | 0.683 | S | S | * | * | trans | -96.3 | 70.1 | 147.8 | -66.3 | 0 | 0 | 0 | 0 | 108.3 | H202 | S200-H202 PolarHBondContact O-N 3.04Š| ||
| 201 | I | 33.4 | Very low | 42.8 | Very low | 134 Ų | 134 | 123.2 Ų | 123.2 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | trans | -87.2 | 101.3 | 162 | -61 | 177.1 | 0 | 0 | 0 | 105.9 | F199 A203 | F199-I201 VanDerWaalsContact C-N 3.32Å; F199-I201 HydrophobicContact CD1-CD1 4.06Å; F199-I201 HydrophobicContact CE1-CD1 4.43Å; I201-A203 PolarHBondContact O-N 3.3Å | ||
| 202 | H | 35.1 | Very low | 40 | Very low | 164 Ų | 164 | 134.4 Ų | 134.4 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | 23.1 | 92.9 | 154.8 | -70.5 | -80.5 | 0 | 0 | 0 | 117.1 | S200 S204 | S200-H202 PolarHBondContact O-N 3.04Å; H202-S204 PolarHBondContact O-N 2.97Å; H202-S204 VanDerWaalsContact O-N 3.09Å | ||
| 203 | A | 30.1 | Very low | 37.5 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -74.9 | 82 | 142.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | I201 S205 | I201-A203 PolarHBondContact O-N 3.3Å; A203-S205 VanDerWaalsContact C-N 3.27Å; A203-S205 PolarHBondContact O-N 3.08Å | ||
| 204 | S | 32.2 | Very low | 35.6 | Very low | 92 Ų | 92 | 139.2 Ų | 139.2 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | trans | -67 | 93.6 | 163.9 | 41 | 0 | 0 | 0 | 0 | 107.8 | H202 N206 | H202-S204 PolarHBondContact O-N 2.97Å; H202-S204 VanDerWaalsContact O-N 3.09Å; S204-N206 PolarHBondContact O-N 3.38Å | ||
| 205 | S | 30.4 | Very low | 34.4 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -65 | 95.4 | 164.3 | 51 | 0 | 0 | 0 | 0 | 108.7 | A203 V207 | A203-S205 VanDerWaalsContact C-N 3.27Å; A203-S205 PolarHBondContact O-N 3.08Å; S205-V207 PolarHBondContact O-N 2.97Å | ||
| 206 | N | 29.4 | Very low | 33.4 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -70.9 | 87 | 161.7 | -86.2 | -10.7 | 0 | 0 | 0 | 108.4 | S204 | S204-N206 PolarHBondContact O-N 3.38Š| ||
| 207 | V | 33.8 | Very low | 33.1 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 70% | 0.703 | 80% | 0.798 | S | S | * | * | trans | -96.2 | 89.7 | 157.4 | 179.4 | 0 | 0 | 0 | 0 | 106.4 | S205 | S205-V207 PolarHBondContact O-N 2.97Š| ||
| 208 | N | 30.9 | Very low | 32.9 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -90.1 | 101.3 | 159.1 | -93.9 | -2 | 0 | 0 | 0 | 107.9 | ||||
| 209 | K | 34.7 | Very low | 32.6 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | trans | -104.9 | 114.7 | 151.1 | -85.3 | -169.4 | -179 | -174.5 | 0 | 107.7 | ||||
| 210 | Q | 35.6 | Very low | 32.7 | Very low | 198 Ų | 198 | 141.8 Ų | 141.8 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | trans | -171.2 | 116.1 | 151.5 | -99.9 | 155.9 | 15.3 | 0 | 0 | 102.6 | ||||
| 211 | G | 32.8 | Very low | 32.6 | Very low | 67 Ų | 67 | 143.8 Ų | 143.8 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | cis | 103.9 | 83.1 | 43.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 212 | D | 33.2 | Very low | 32.6 | Very low | 248 Ų | 248 | 144.7 Ų | 144.7 | 100% | 1.326 | 83% | 0.828 | S | S | * | * | trans | -169.6 | 0 | 142.7 | -88.9 | -17 | 0 | 0 | 0 | 108.3 |
Retrieved 212 of 212 residues in 58.8 ms
(Link to these results)