| 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 | M | 76.1 | Confident | 91.2 | Very high | 195 Ų | 195 | 115.5 Ų | 115.5 | 96% | 0.961 | 59% | 0.59 | S | S | * | * | 0 | -6 | 0 | -62.6 | -163 | 76.5 | 0 | 0 | 116.3 | E4 | M1-E4 WeakPolarHBondContact CA-OE1 3.45Å; M1-E4 PolarHBondContact N-OE1 3.46Å | |||
| 2 | W | 83.8 | Confident | 91.7 | Very high | 161 Ų | 161 | 114.1 Ų | 114.1 | 61% | 0.61 | 58% | 0.581 | S | S | * | * | trans | -127.7 | -32.5 | 152.5 | 71.3 | -95.8 | 0 | 0 | 0 | 111.7 | E4 I5 L6 | W2-E4 PolarHBondContact O-N 3.33Å; W2-E4 VanDerWaalsContact O-N 3.08Å; W2-I5 VanDerWaalsContact O-CG2 3.31Å; W2-I5 WeakPolarHBondContact O-CG2 3.39Å; W2-I5 PolarHBondContact O-N 3.42Å; W2-L6 HydrophobicContact CZ3-CD1 4.47Å | ||
| 3 | Y | 89.3 | Confident | 92 | Very high | 140 Ų | 140 | 109.1 Ų | 109.1 | 55% | 0.549 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.2 | -15.7 | 173.3 | -39 | -84.2 | 0 | 0 | 0 | 114.5 | I5 L6 P7 | Y3-I5 PolarHBondContact O-N 3.39Å; Y3-L6 HydrophobicContact CD1-CD1 4.23Å; Y3-L6 VanDerWaalsContact O-CB 3.23Å; Y3-L6 WeakPolarHBondContact O-CB 3.35Å; Y3-L6 WeakPolarHBondContact O-CG 3.49Å; Y3-L6 PolarHBondContact O-N 2.74Å; Y3-P7 WeakPolarHBondContact O-CD 2.78Å |
| 4 | E | 91.9 | Very high | 92.4 | Very high | 140 Ų | 140 | 104.4 Ų | 104.4 | 65% | 0.654 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -16.3 | 179.6 | -75.2 | 161.8 | -135.1 | 0 | 0 | 112.9 | M1 W2 P7 | M1-E4 WeakPolarHBondContact CA-OE1 3.45Å; M1-E4 PolarHBondContact N-OE1 3.46Å; W2-E4 PolarHBondContact O-N 3.33Å; W2-E4 VanDerWaalsContact O-N 3.08Å; E4-P7 WeakPolarHBondContact O-CD 3.29Å |
| 5 | I | 93.1 | Very high | 92.6 | Very high | 114 Ų | 114 | 102.4 Ų | 102.4 | 59% | 0.585 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -79.3 | -21.7 | 171 | -158.9 | 162.9 | 0 | 0 | 0 | 112.8 | W2 Y3 A8 F9 | W2-I5 VanDerWaalsContact O-CG2 3.31Å; W2-I5 WeakPolarHBondContact O-CG2 3.39Å; W2-I5 PolarHBondContact O-N 3.42Å; Y3-I5 PolarHBondContact O-N 3.39Å; I5-A8 PolarHBondContact O-N 3Å; I5-F9 VanDerWaalsContact O-CB 3.3Å; I5-F9 WeakPolarHBondContact O-CB 3.49Å; I5-F9 PolarHBondContact O-N 3.29Å |
| 6 | L | 93.9 | Very high | 92.9 | Very high | 85 Ų | 85 | 104.9 Ų | 104.9 | 45% | 0.445 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.5 | -38.5 | -174.8 | -59.8 | 174.6 | 0 | 0 | 0 | 113.1 | W2 Y3 G10 | W2-L6 HydrophobicContact CZ3-CD1 4.47Å; Y3-L6 HydrophobicContact CD1-CD1 4.23Å; Y3-L6 VanDerWaalsContact O-CB 3.23Å; Y3-L6 WeakPolarHBondContact O-CB 3.35Å; Y3-L6 WeakPolarHBondContact O-CG 3.49Å; Y3-L6 PolarHBondContact O-N 2.74Å; L6-G10 WeakPolarHBondContact O-CA 3.49Å; L6-G10 PolarHBondContact O-N 3.13Å |
| 7 | P | 93.6 | Very high | 93.2 | Very high | 93 Ų | 93 | 104 Ų | 104 | 60% | 0.604 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.4 | -45.9 | 173.9 | -24.3 | 34.6 | 0 | 0 | 0 | 113.1 | Y3 E4 G10 L11 | Y3-P7 WeakPolarHBondContact O-CD 2.78Å; E4-P7 WeakPolarHBondContact O-CD 3.29Å; P7-G10 PolarHBondContact O-N 3.27Å; P7-L11 WeakPolarHBondContact O-CB 3.44Å; P7-L11 PolarHBondContact O-N 3.38Å |
| 8 | A | 93.7 | Very high | 93.4 | Very high | 67 Ų | 67 | 103.2 Ų | 103.2 | 55% | 0.554 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.7 | -42.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I5 L11 M12 | I5-A8 PolarHBondContact O-N 3Å; A8-L11 PolarHBondContact O-N 2.91Å; A8-M12 WeakPolarHBondContact O-CB 3.32Å; A8-M12 PolarHBondContact O-N 2.93Å |
| 9 | F | 95.4 | Very high | 93.6 | Very high | 116 Ų | 116 | 101.4 Ų | 101.4 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 175.1 | -177.4 | -101.9 | 0 | 0 | 0 | 112.1 | I5 M12 T13 | I5-F9 VanDerWaalsContact O-CB 3.3Å; I5-F9 WeakPolarHBondContact O-CB 3.49Å; I5-F9 PolarHBondContact O-N 3.29Å; F9-M12 HydrophobicContact CD2-CE 3.67Å; F9-M12 HydrophobicContact CE2-CE 3.83Å; F9-M12 PolarHBondContact O-N 3.42Å; F9-T13 VanDerWaalsContact O-CB 3.3Å; F9-T13 WeakPolarHBondContact O-CB 3.15Å; F9-T13 PolarHBondContact O-N 3.32Å; F9-T13 PolarHBondContact O-OG1 3.4Å |
| 10 | G | 96 | Very high | 93.6 | Very high | 36 Ų | 36 | 98.3 Ų | 98.3 | 37% | 0.371 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L6 P7 T13 A14 | L6-G10 WeakPolarHBondContact O-CA 3.49Å; L6-G10 PolarHBondContact O-N 3.13Å; P7-G10 PolarHBondContact O-N 3.27Å; G10-T13 PolarHBondContact O-N 2.97Å; G10-A14 WeakPolarHBondContact O-CB 3.38Å; G10-A14 PolarHBondContact O-N 3.08Å |
| 11 | L | 96.6 | Very high | 93.8 | Very high | 124 Ų | 124 | 97.7 Ų | 97.7 | 65% | 0.649 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.9 | -47.6 | 175.9 | -169.1 | 120.3 | 0 | 0 | 0 | 111.5 | P7 A8 T13 A14 C15 | P7-L11 WeakPolarHBondContact O-CB 3.44Å; P7-L11 PolarHBondContact O-N 3.38Å; A8-L11 PolarHBondContact O-N 2.91Å; L11-T13 VanDerWaalsContact C-N 3.32Å; L11-T13 PolarHBondContact O-N 2.91Å; L11-A14 PolarHBondContact O-N 3.33Å; L11-C15 WeakPolarHBondContact O-CB 3.1Å; L11-C15 PolarHBondContact O-N 3.47Å; L11-C15 PolarHBondContact O-SG 3.38Å |
| 12 | M | 96.8 | Very high | 94.7 | Very high | 98 Ų | 98 | 92.8 Ų | 92.8 | 48% | 0.483 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.8 | -46.2 | 175.8 | -177.7 | -177.2 | 72.3 | 0 | 0 | 111.5 | A8 F9 C15 M16 | A8-M12 WeakPolarHBondContact O-CB 3.32Å; A8-M12 PolarHBondContact O-N 2.93Å; F9-M12 HydrophobicContact CD2-CE 3.67Å; F9-M12 HydrophobicContact CE2-CE 3.83Å; F9-M12 PolarHBondContact O-N 3.42Å; M12-C15 PolarHBondContact O-N 3.06Å; M12-M16 WeakPolarHBondContact O-CG 3.41Å; M12-M16 PolarHBondContact O-N 2.97Å |
| 13 | T | 96.1 | Very high | 95.3 | Very high | 49 Ų | 49 | 88.3 Ų | 88.3 | 30% | 0.301 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 179.1 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | F9 G10 L11 C15 M16 I17 | F9-T13 VanDerWaalsContact O-CB 3.3Å; F9-T13 WeakPolarHBondContact O-CB 3.15Å; F9-T13 PolarHBondContact O-N 3.32Å; F9-T13 PolarHBondContact O-OG1 3.4Å; G10-T13 PolarHBondContact O-N 2.97Å; L11-T13 VanDerWaalsContact C-N 3.32Å; L11-T13 PolarHBondContact O-N 2.91Å; T13-C15 PolarHBondContact O-N 3.26Å; T13-M16 PolarHBondContact O-N 3.1Å; T13-I17 HydrophobicContact CG2-CD1 3.66Å; T13-I17 HydrophobicContact CG2-CG1 4.37Å; T13-I17 VanDerWaalsContact O-CG1 3.27Å; T13-I17 WeakPolarHBondContact O-CG1 3.39Å; T13-I17 PolarHBondContact O-N 2.91Å |
| 14 | A | 97.1 | Very high | 95.6 | Very high | 44 Ų | 44 | 84.4 Ų | 84.4 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60 | -47.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G10 L11 M16 I17 I18 | G10-A14 WeakPolarHBondContact O-CB 3.38Å; G10-A14 PolarHBondContact O-N 3.08Å; L11-A14 PolarHBondContact O-N 3.33Å; A14-M16 PolarHBondContact O-N 3.08Å; A14-I17 PolarHBondContact O-N 3.44Å; A14-I17 VanDerWaalsContact O-N 3.15Å; A14-I18 WeakPolarHBondContact O-CB 3.5Å; A14-I18 WeakPolarHBondContact O-CD1 3.46Å; A14-I18 WeakPolarHBondContact O-CG1 3.36Å; A14-I18 PolarHBondContact O-N 3.19Å |
| 15 | C | 96.3 | Very high | 95.7 | Very high | 74 Ų | 74 | 83.5 Ų | 83.5 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -32.1 | 177.1 | -70.6 | 0 | 0 | 0 | 0 | 113.1 | L11 M12 T13 P19 | L11-C15 WeakPolarHBondContact O-CB 3.1Å; L11-C15 PolarHBondContact O-N 3.47Å; L11-C15 PolarHBondContact O-SG 3.38Å; M12-C15 PolarHBondContact O-N 3.06Å; T13-C15 PolarHBondContact O-N 3.26Å; C15-P19 WeakPolarHBondContact O-CD 3.49Å |
| 16 | M | 96.7 | Very high | 95.9 | Very high | 143 Ų | 143 | 82.3 Ų | 82.3 | 70% | 0.704 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -78.5 | -33.1 | 175.2 | -73.6 | -166 | 70 | 0 | 0 | 113.7 | M12 T13 A14 | M12-M16 WeakPolarHBondContact O-CG 3.41Å; M12-M16 PolarHBondContact O-N 2.97Å; T13-M16 PolarHBondContact O-N 3.1Å; A14-M16 PolarHBondContact O-N 3.08Å |
| 17 | I | 97.5 | Very high | 96 | Very high | 89 Ų | 89 | 81.1 Ų | 81.1 | 46% | 0.456 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -74 | -39.5 | 179.7 | -70.9 | 170.2 | 0 | 0 | 0 | 111.2 | T13 A14 G20 I21 | T13-I17 HydrophobicContact CG2-CD1 3.66Å; T13-I17 HydrophobicContact CG2-CG1 4.37Å; T13-I17 VanDerWaalsContact O-CG1 3.27Å; T13-I17 WeakPolarHBondContact O-CG1 3.39Å; T13-I17 PolarHBondContact O-N 2.91Å; A14-I17 PolarHBondContact O-N 3.44Å; A14-I17 VanDerWaalsContact O-N 3.15Å; I17-G20 PolarHBondContact O-N 3.09Å; I17-I21 HydrophobicContact CG2-CD1 3.42Å; I17-I21 VanDerWaalsContact CG2-CD1 3.42Å; I17-I21 HydrophobicContact CG2-CG1 3.9Å; I17-I21 PolarHBondContact O-N 3.19Å; I17-I21 VanDerWaalsContact O-N 3.1Å |
| 18 | I | 97.5 | Very high | 96 | Very high | 89 Ų | 89 | 81 Ų | 81 | 46% | 0.456 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -52.3 | -49.3 | -174.1 | -76.8 | 162.7 | 0 | 0 | 0 | 112.8 | A14 G20 I21 L22 | A14-I18 WeakPolarHBondContact O-CB 3.5Å; A14-I18 WeakPolarHBondContact O-CD1 3.46Å; A14-I18 WeakPolarHBondContact O-CG1 3.36Å; A14-I18 PolarHBondContact O-N 3.19Å; I18-G20 VanDerWaalsContact C-N 3.32Å; I18-G20 PolarHBondContact O-N 3.16Å; I18-I21 PolarHBondContact O-N 3.39Å; I18-L22 HydrophobicContact CG2-CD1 3.42Å; I18-L22 VanDerWaalsContact CG2-CD1 3.42Å; I18-L22 HydrophobicContact CG2-CG 4.4Å; I18-L22 WeakPolarHBondContact O-CB 3.39Å; I18-L22 PolarHBondContact O-N 3.48Å |
| 19 | P | 96.5 | Very high | 96 | Very high | 70 Ų | 70 | 86.4 Ų | 86.4 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.6 | -38.3 | 177.6 | -26 | 34 | 0 | 0 | 0 | 113.8 | C15 T23 | C15-P19 WeakPolarHBondContact O-CD 3.49Å; P19-T23 WeakPolarHBondContact O-CB 3.49Å; P19-T23 VanDerWaalsContact O-CG2 3.25Å; P19-T23 WeakPolarHBondContact O-CG2 3.45Å; P19-T23 PolarHBondContact O-N 2.93Å; P19-T23 PolarHBondContact O-OG1 2.98Å |
| 20 | G | 95.1 | Very high | 95.8 | Very high | 38 Ų | 38 | 84.2 Ų | 84.2 | 39% | 0.392 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.8 | -49.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I17 I18 T23 T24 | I17-G20 PolarHBondContact O-N 3.09Å; I18-G20 VanDerWaalsContact C-N 3.32Å; I18-G20 PolarHBondContact O-N 3.16Å; G20-T23 PolarHBondContact O-N 3.3Å; G20-T23 PolarHBondContact O-OG1 3.02Å; G20-T24 WeakPolarHBondContact O-CG2 3.42Å; G20-T24 PolarHBondContact O-N 2.64Å; G20-T24 VanDerWaalsContact O-N 3.15Å |
| 21 | I | 96.1 | Very high | 95.7 | Very high | 87 Ų | 87 | 82.7 Ų | 82.7 | 45% | 0.446 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.4 | -50 | 177.8 | -65.2 | -179.9 | 0 | 0 | 0 | 110.3 | I17 I18 T23 T24 H25 | I17-I21 HydrophobicContact CG2-CD1 3.42Å; I17-I21 VanDerWaalsContact CG2-CD1 3.42Å; I17-I21 HydrophobicContact CG2-CG1 3.9Å; I17-I21 PolarHBondContact O-N 3.19Å; I17-I21 VanDerWaalsContact O-N 3.1Å; I18-I21 PolarHBondContact O-N 3.39Å; I21-T23 PolarHBondContact O-N 2.93Å; I21-T24 PolarHBondContact O-N 2.79Å; I21-T24 PolarHBondContact O-OG1 2.77Å; I21-H25 PolarHBondContact O-CD2 3.42Å; I21-H25 PolarHBondContact O-N 2.56Å; I21-H25 VanDerWaalsContact O-N 3.09Å |
| 22 | L | 96.4 | Very high | 95.5 | Very high | 91 Ų | 91 | 79.1 Ų | 79.1 | 48% | 0.476 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -55.3 | -49.2 | 178.6 | -86.6 | 159.2 | 0 | 0 | 0 | 112.1 | I18 T24 H25 I26 | I18-L22 HydrophobicContact CG2-CD1 3.42Å; I18-L22 VanDerWaalsContact CG2-CD1 3.42Å; I18-L22 HydrophobicContact CG2-CG 4.4Å; I18-L22 WeakPolarHBondContact O-CB 3.39Å; I18-L22 PolarHBondContact O-N 3.48Å; L22-T24 VanDerWaalsContact C-N 3.33Å; L22-T24 PolarHBondContact O-N 3.28Å; L22-H25 PolarHBondContact O-N 2.93Å; L22-I26 HydrophobicContact CB-CD1 4.48Å; L22-I26 WeakPolarHBondContact O-CB 3.36Å; L22-I26 WeakPolarHBondContact O-CD1 3.37Å; L22-I26 WeakPolarHBondContact O-CG1 3.44Å; L22-I26 PolarHBondContact O-N 3.08Å |
| 23 | T | 95.7 | Very high | 95.3 | Very high | 67 Ų | 67 | 77.2 Ų | 77.2 | 41% | 0.411 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.8 | -38.7 | -178.6 | 50.4 | 0 | 0 | 0 | 0 | 112.3 | P19 G20 I21 I26 H27 | P19-T23 WeakPolarHBondContact O-CB 3.49Å; P19-T23 VanDerWaalsContact O-CG2 3.25Å; P19-T23 WeakPolarHBondContact O-CG2 3.45Å; P19-T23 PolarHBondContact O-N 2.93Å; P19-T23 PolarHBondContact O-OG1 2.98Å; G20-T23 PolarHBondContact O-N 3.3Å; G20-T23 PolarHBondContact O-OG1 3.02Å; I21-T23 PolarHBondContact O-N 2.93Å; T23-I26 PolarHBondContact O-N 3.47Å; T23-H27 WeakPolarHBondContact O-CB 3.35Å; T23-H27 PolarHBondContact O-N 3.06Å |
| 24 | T | 95.1 | Very high | 95.1 | Very high | 59 Ų | 59 | 79.1 Ų | 79.1 | 36% | 0.362 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 174.9 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | G20 I21 L22 H27 K28 | G20-T24 WeakPolarHBondContact O-CG2 3.42Å; G20-T24 PolarHBondContact O-N 2.64Å; G20-T24 VanDerWaalsContact O-N 3.15Å; I21-T24 PolarHBondContact O-N 2.79Å; I21-T24 PolarHBondContact O-OG1 2.77Å; L22-T24 VanDerWaalsContact C-N 3.33Å; L22-T24 PolarHBondContact O-N 3.28Å; T24-H27 PolarHBondContact O-N 3.18Å; T24-K28 WeakPolarHBondContact O-CG 3.32Å; T24-K28 PolarHBondContact O-N 3.31Å |
| 25 | H | 95.3 | Very high | 94.9 | Very high | 120 Ų | 120 | 82.5 Ų | 82.5 | 56% | 0.556 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -67.6 | -41.9 | 176.5 | -76.9 | -69.9 | 0 | 0 | 0 | 112.1 | I21 L22 H27 K28 F29 | I21-H25 PolarHBondContact O-CD2 3.42Å; I21-H25 PolarHBondContact O-N 2.56Å; I21-H25 VanDerWaalsContact O-N 3.09Å; L22-H25 PolarHBondContact O-N 2.93Å; H25-H27 VanDerWaalsContact C-N 3.34Å; H25-H27 PolarHBondContact O-N 2.97Å; H25-K28 PolarHBondContact O-N 3.44Å; H25-F29 WeakPolarHBondContact O-CB 3.5Å; H25-F29 PolarHBondContact O-N 3.34Å |
| 26 | I | 95.8 | Very high | 94.8 | Very high | 89 Ų | 89 | 84.1 Ų | 84.1 | 46% | 0.456 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 176.2 | -69.1 | 165.3 | 0 | 0 | 0 | 110.5 | L22 T23 F29 T30 | L22-I26 HydrophobicContact CB-CD1 4.48Å; L22-I26 WeakPolarHBondContact O-CB 3.36Å; L22-I26 WeakPolarHBondContact O-CD1 3.37Å; L22-I26 WeakPolarHBondContact O-CG1 3.44Å; L22-I26 PolarHBondContact O-N 3.08Å; T23-I26 PolarHBondContact O-N 3.47Å; I26-F29 PolarHBondContact O-N 2.71Å; I26-T30 HydrophobicContact CG2-CG2 4.32Å; I26-T30 WeakPolarHBondContact O-CB 3.25Å; I26-T30 WeakPolarHBondContact O-CG2 3.35Å; I26-T30 PolarHBondContact O-N 2.77Å; I26-T30 PolarHBondContact O-OG1 3.45Å |
| 27 | H | 95.9 | Very high | 94.6 | Very high | 60 Ų | 60 | 81.4 Ų | 81.4 | 28% | 0.278 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 176.3 | -75.3 | 178.6 | 0 | 0 | 0 | 111.6 | T23 T24 H25 F29 T30 N31 K36 | T23-H27 WeakPolarHBondContact O-CB 3.35Å; T23-H27 PolarHBondContact O-N 3.06Å; T24-H27 PolarHBondContact O-N 3.18Å; H25-H27 VanDerWaalsContact C-N 3.34Å; H25-H27 PolarHBondContact O-N 2.97Å; H27-F29 PolarHBondContact O-N 3.31Å; H27-T30 PolarHBondContact O-N 3.12Å; H27-T30 PolarHBondContact O-OG1 3.39Å; H27-N31 WeakPolarHBondContact O-CB 3.4Å; H27-N31 PolarHBondContact O-N 3.33Å; H27-N31 VanDerWaalsContact O-N 3.08Å; H27-N31 PolarHBondContact O-ND2 2.87Å; H27-K36 HydrophobicContact CB-CB 4.17Å |
| 28 | K | 93.7 | Very high | 94.5 | Very high | 90 Ų | 90 | 82.5 Ų | 82.5 | 39% | 0.391 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 176.2 | -72.7 | 174.9 | 177.4 | 177.4 | 0 | 112.1 | T24 H25 G33 K34 E35 | T24-K28 WeakPolarHBondContact O-CG 3.32Å; T24-K28 PolarHBondContact O-N 3.31Å; H25-K28 PolarHBondContact O-N 3.44Å; K28-G33 VanDerWaalsContact O-CA 3.26Å; K28-G33 WeakPolarHBondContact O-CA 3.03Å; K28-G33 PolarHBondContact O-N 3.37Å; K28-K34 WeakPolarHBondContact CA-O 3.32Å; K28-E35 WeakPolarHBondContact CE-OE1 3.42Å; K28-E35 IonicContact NZ-OE1 3.9Å |
| 29 | F | 93.7 | Very high | 94.4 | Very high | 182 Ų | 182 | 80 Ų | 80 | 80% | 0.798 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.3 | -45 | 179 | -176.6 | -104.1 | 0 | 0 | 0 | 112.3 | H25 I26 H27 | H25-F29 WeakPolarHBondContact O-CB 3.5Å; H25-F29 PolarHBondContact O-N 3.34Å; I26-F29 PolarHBondContact O-N 2.71Å; H27-F29 PolarHBondContact O-N 3.31Å |
| 30 | T | 93.1 | Very high | 94.3 | Very high | 70 Ų | 70 | 86.4 Ų | 86.4 | 43% | 0.429 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -78.6 | -17.5 | -176.2 | 53.6 | 0 | 0 | 0 | 0 | 114.4 | I26 H27 F61 | I26-T30 HydrophobicContact CG2-CG2 4.32Å; I26-T30 WeakPolarHBondContact O-CB 3.25Å; I26-T30 WeakPolarHBondContact O-CG2 3.35Å; I26-T30 PolarHBondContact O-N 2.77Å; I26-T30 PolarHBondContact O-OG1 3.45Å; H27-T30 PolarHBondContact O-N 3.12Å; H27-T30 PolarHBondContact O-OG1 3.39Å; T30-F61 WeakPolarHBondContact O-CE1 3.17Å |
| 31 | N | 93.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 89.2 Ų | 89.2 | 2% | 0.016 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 26.3 | -176.2 | -63.6 | -76.2 | 0 | 0 | 0 | 113.7 | H27 K34 K36 Y60 F61 | H27-N31 WeakPolarHBondContact O-CB 3.4Å; H27-N31 PolarHBondContact O-N 3.33Å; H27-N31 VanDerWaalsContact O-N 3.08Å; H27-N31 PolarHBondContact O-ND2 2.87Å; N31-K34 WeakPolarHBondContact CB-O 3.5Å; N31-K34 PolarHBondContact O-N 3.43Å; N31-K36 WeakPolarHBondContact ND2-CB 3.21Å; N31-Y60 WeakPolarHBondContact OD1-CE2 3.3Å; N31-Y60 VanDerWaalsContact OD1-CZ 3.27Å; N31-Y60 PolarHBondContact OD1-OH 3.43Å; N31-F61 HydrophobicContact CB-CB 4.36Å; N31-F61 WeakPolarHBondContact O-CB 3.36Å |
| 32 | G | 91.2 | Very high | 94.4 | Very high | 50 Ų | 50 | 90.5 Ų | 90.5 | 52% | 0.515 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K34 | G32-K34 VanDerWaalsContact C-N 3.28Å; G32-K34 PolarHBondContact O-N 3.43Å |
| 33 | G | 92.1 | Very high | 94.4 | Very high | 58 Ų | 58 | 94.1 Ų | 94.1 | 60% | 0.598 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | -0.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | K28 | K28-G33 VanDerWaalsContact O-CA 3.26Å; K28-G33 WeakPolarHBondContact O-CA 3.03Å; K28-G33 PolarHBondContact O-N 3.37Å |
| 34 | K | 92.1 | Very high | 94.4 | Very high | 88 Ų | 88 | 94.1 Ų | 94.1 | 38% | 0.383 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -105.5 | 166.7 | -177.2 | -66.4 | 179.5 | -72.4 | -166.1 | 0 | 111.9 | K28 N31 G32 F61 S63 | K28-K34 WeakPolarHBondContact CA-O 3.32Å; N31-K34 WeakPolarHBondContact CB-O 3.5Å; N31-K34 PolarHBondContact O-N 3.43Å; G32-K34 VanDerWaalsContact C-N 3.28Å; G32-K34 PolarHBondContact O-N 3.43Å; K34-F61 VanDerWaalsContact CE-O 3.32Å; K34-F61 WeakPolarHBondContact CE-O 3.31Å; K34-F61 PolarHBondContact NZ-O 3.26Å; K34-S63 PolarHBondContact NZ-OG 2.78Å |
| 35 | E | 92.8 | Very high | 94.5 | Very high | 115 Ų | 115 | 97.9 Ų | 97.9 | 54% | 0.537 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 148.4 | 171 | -65.7 | -57 | 146.2 | 0 | 0 | 111.5 | K28 R37 | K28-E35 WeakPolarHBondContact CE-OE1 3.42Å; K28-E35 IonicContact NZ-OE1 3.9Å; E35-R37 PolarHBondContact O-N 3.38Å |
| 36 | K | 94.4 | Very high | 94.5 | Very high | 109 Ų | 109 | 97.5 Ų | 97.5 | 47% | 0.474 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 126.4 | 174.5 | -177.7 | 179 | 176.9 | 179.9 | 0 | 109.4 | H27 N31 I38 | H27-K36 HydrophobicContact CB-CB 4.17Å; N31-K36 WeakPolarHBondContact ND2-CB 3.21Å; K36-I38 PolarHBondContact O-N 3.46Å |
| 37 | R | 93.3 | Very high | 94.5 | Very high | 85 Ų | 85 | 95.7 Ų | 95.7 | 32% | 0.321 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 126.5 | 176.9 | -177.6 | 175.6 | -171.2 | 153.7 | -1.6 | 110.5 | E35 L47 M48 D51 Y60 | E35-R37 PolarHBondContact O-N 3.38Å; R37-L47 VanDerWaalsContact NH2-CB 3.33Å; R37-M48 HydrophobicContact CB-CE 3.68Å; R37-M48 HydrophobicContact CG-CE 3.52Å; R37-M48 WeakPolarHBondContact O-CE 3.4Å; R37-D51 IonicContact CZ-OD2 3.62Å; R37-D51 IonicContact NH1-OD2 2.64Å; R37-D51 PolarHBondContact NH1-OD2 2.93Å; R37-D51 IonicContact NH2-OD2 3.8Å; R37-Y60 HydrophobicContact CB-CE2 4.47Å |
| 38 | I | 94.8 | Very high | 94.5 | Very high | 112 Ų | 112 | 93.7 Ų | 93.7 | 57% | 0.574 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -101.3 | 116.4 | -179.9 | -52.6 | 174.6 | 0 | 0 | 0 | 108.3 | K36 R40 Q44 | K36-I38 PolarHBondContact O-N 3.46Å; I38-R40 HydrophobicContact CG2-CG 3.78Å; I38-Q44 PolarHBondContact O-OE1 3.48Å |
| 39 | A | 94.7 | Very high | 94.6 | Very high | 38 Ų | 38 | 93.3 Ų | 93.3 | 31% | 0.314 | 46% | 0.459 | S | S | . | . | trans | -101.3 | 91 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q44 W45 M48 | A39-Q44 HydrophobicContact CB-CB 4Å; A39-W45 HydrophobicContact CB-CB 4.22Å; A39-W45 HydrophobicContact CB-CE3 4.01Å; A39-M48 HydrophobicContact CB-CE 4.28Å | ||
| 40 | R | 95.5 | Very high | 94.6 | Very high | 204 Ų | 204 | 90.4 Ų | 90.4 | 77% | 0.77 | 44% | 0.443 | S | S | * | . | trans | -81.9 | -30.9 | 174.4 | -61.3 | -176.2 | 177.8 | 155.4 | -1 | 111.9 | I38 | I38-R40 HydrophobicContact CG2-CG 3.78Š| ||
| 41 | N | 96.5 | Very high | 94.7 | Very high | 97 Ų | 97 | 89.2 Ų | 89.2 | 52% | 0.519 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -111.7 | 149.3 | -177.7 | -61.7 | -9.4 | 0 | 0 | 0 | 110.8 | W43 Q44 W45 | N41-W43 PolarHBondContact O-N 3.48Å; N41-W43 VanDerWaalsContact O-N 3.16Å; N41-Q44 HydrophobicContact CB-CG 4.34Å; N41-Q44 VanDerWaalsContact N-OE1 3.11Å; N41-Q44 WeakPolarHBondContact O-CB 3.26Å; N41-Q44 PolarHBondContact O-N 2.85Å; N41-W45 PolarHBondContact O-N 2.87Å |
| 42 | P | 96.3 | Very high | 94.7 | Very high | 114 Ų | 114 | 93.1 Ų | 93.1 | 74% | 0.74 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -55.9 | -35.2 | 177.9 | -26.7 | 34.7 | 0 | 0 | 0 | 113.4 | Q44 W45 Y46 | P42-Q44 VanDerWaalsContact C-N 3.31Å; P42-Q44 PolarHBondContact O-N 3.31Å; P42-W45 WeakPolarHBondContact O-CB 3.45Å; P42-W45 PolarHBondContact O-N 3.22Å; P42-Y46 PolarHBondContact O-N 3.09Å |
| 43 | W | 96.1 | Very high | 94.8 | Very high | 167 Ų | 167 | 98.3 Ų | 98.3 | 63% | 0.633 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61 | -38.6 | 175.2 | -178.7 | -113.2 | 0 | 0 | 0 | 113 | N41 W45 Y46 L47 | N41-W43 PolarHBondContact O-N 3.48Å; N41-W43 VanDerWaalsContact O-N 3.16Å; W43-W45 VanDerWaalsContact C-N 3.3Å; W43-W45 PolarHBondContact O-N 3.04Å; W43-Y46 HydrophobicContact CE3-CD1 4.06Å; W43-Y46 HydrophobicContact CH2-CD1 4.3Å; W43-Y46 HydrophobicContact CH2-CE1 4.43Å; W43-Y46 AromaticContact CZ3-CD1 3.74Å; W43-Y46 HydrophobicContact CZ3-CD1 3.74Å; W43-Y46 HydrophobicContact CZ3-CE1 4.09Å; W43-Y46 PolarHBondContact O-N 3.31Å; W43-L47 HydrophobicContact CZ2-CD1 4.43Å; W43-L47 HydrophobicContact CZ2-CD2 4.1Å; W43-L47 HydrophobicContact CZ2-CG 4.33Å; W43-L47 WeakPolarHBondContact O-CG 3.46Å; W43-L47 PolarHBondContact O-N 3.06Å |
| 44 | Q | 96.6 | Very high | 94.9 | Very high | 66 Ų | 66 | 98.7 Ų | 98.7 | 31% | 0.308 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.3 | -33.9 | 178 | -66.3 | 172.5 | -29 | 0 | 0 | 111.5 | I38 A39 N41 P42 M48 | I38-Q44 PolarHBondContact O-OE1 3.48Å; A39-Q44 HydrophobicContact CB-CB 4Å; N41-Q44 HydrophobicContact CB-CG 4.34Å; N41-Q44 VanDerWaalsContact N-OE1 3.11Å; N41-Q44 WeakPolarHBondContact O-CB 3.26Å; N41-Q44 PolarHBondContact O-N 2.85Å; P42-Q44 VanDerWaalsContact C-N 3.31Å; P42-Q44 PolarHBondContact O-N 3.31Å; Q44-M48 WeakPolarHBondContact O-CB 3.41Å; Q44-M48 PolarHBondContact O-N 2.78Å |
| 45 | W | 96.1 | Very high | 94.8 | Very high | 138 Ų | 138 | 94.6 Ų | 94.6 | 52% | 0.523 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.8 | -48.4 | 173.1 | -174.1 | -96.8 | 0 | 0 | 0 | 111.3 | A39 N41 P42 W43 L47 M48 E49 | A39-W45 HydrophobicContact CB-CB 4.22Å; A39-W45 HydrophobicContact CB-CE3 4.01Å; N41-W45 PolarHBondContact O-N 2.87Å; P42-W45 WeakPolarHBondContact O-CB 3.45Å; P42-W45 PolarHBondContact O-N 3.22Å; W43-W45 VanDerWaalsContact C-N 3.3Å; W43-W45 PolarHBondContact O-N 3.04Å; W45-L47 VanDerWaalsContact C-N 3.28Å; W45-L47 PolarHBondContact O-N 3.42Å; W45-M48 HydrophobicContact CE3-SD 4.27Å; W45-M48 HydrophobicContact CZ3-SD 4.09Å; W45-M48 WeakPolarHBondContact O-CA 3.43Å; W45-M48 WeakPolarHBondContact O-CB 3Å; W45-M48 PolarHBondContact O-N 3.28Å; W45-E49 PolarHBondContact NE1-OE1 3.39Å; W45-E49 PolarHBondContact O-N 2.97Å |
| 46 | Y | 96.7 | Very high | 94.6 | Very high | 113 Ų | 113 | 92.5 Ų | 92.5 | 44% | 0.443 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -55.6 | -43 | 176.4 | 178.2 | -103.9 | 0 | 0 | 0 | 112.3 | P42 W43 E49 R50 | P42-Y46 PolarHBondContact O-N 3.09Å; W43-Y46 HydrophobicContact CE3-CD1 4.06Å; W43-Y46 HydrophobicContact CH2-CD1 4.3Å; W43-Y46 HydrophobicContact CH2-CE1 4.43Å; W43-Y46 AromaticContact CZ3-CD1 3.74Å; W43-Y46 HydrophobicContact CZ3-CD1 3.74Å; W43-Y46 HydrophobicContact CZ3-CE1 4.09Å; W43-Y46 PolarHBondContact O-N 3.31Å; Y46-E49 PolarHBondContact O-N 3.1Å; Y46-R50 PolarHBondContact O-N 3.35Å |
| 47 | L | 95.9 | Very high | 94.3 | Very high | 50 Ų | 50 | 90.6 Ų | 90.6 | 26% | 0.262 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.4 | -37.7 | 174.9 | -70 | 176.1 | 0 | 0 | 0 | 112.8 | R37 W43 W45 R50 D51 | R37-L47 VanDerWaalsContact NH2-CB 3.33Å; W43-L47 HydrophobicContact CZ2-CD1 4.43Å; W43-L47 HydrophobicContact CZ2-CD2 4.1Å; W43-L47 HydrophobicContact CZ2-CG 4.33Å; W43-L47 WeakPolarHBondContact O-CG 3.46Å; W43-L47 PolarHBondContact O-N 3.06Å; W45-L47 VanDerWaalsContact C-N 3.28Å; W45-L47 PolarHBondContact O-N 3.42Å; L47-R50 WeakPolarHBondContact O-CB 3.06Å; L47-R50 PolarHBondContact O-N 2.94Å; L47-D51 VanDerWaalsContact O-CG 3.26Å; L47-D51 PolarHBondContact O-N 2.89Å |
| 48 | M | 95.5 | Very high | 94.2 | Very high | 18 Ų | 18 | 92 Ų | 92 | 9% | 0.089 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -64 | -41.6 | 175.4 | -176.4 | -172.3 | -70.2 | 0 | 0 | 111.6 | R37 A39 Q44 W45 D51 K52 Y60 | R37-M48 HydrophobicContact CB-CE 3.68Å; R37-M48 HydrophobicContact CG-CE 3.52Å; R37-M48 WeakPolarHBondContact O-CE 3.4Å; A39-M48 HydrophobicContact CB-CE 4.28Å; Q44-M48 WeakPolarHBondContact O-CB 3.41Å; Q44-M48 PolarHBondContact O-N 2.78Å; W45-M48 HydrophobicContact CE3-SD 4.27Å; W45-M48 HydrophobicContact CZ3-SD 4.09Å; W45-M48 WeakPolarHBondContact O-CA 3.43Å; W45-M48 WeakPolarHBondContact O-CB 3Å; W45-M48 PolarHBondContact O-N 3.28Å; M48-D51 PolarHBondContact O-N 2.85Å; M48-K52 WeakPolarHBondContact O-CB 3.35Å; M48-K52 PolarHBondContact O-N 2.89Å; M48-Y60 HydrophobicContact CG-CD1 4.22Å; M48-Y60 HydrophobicContact CG-CD2 4.3Å; M48-Y60 HydrophobicContact CG-CG 3.86Å; M48-Y60 HydrophobicContact SD-CD1 4.22Å; M48-Y60 HydrophobicContact SD-CE1 4.43Å; M48-Y60 HydrophobicContact SD-CG 4.34Å |
| 49 | E | 95.1 | Very high | 94.1 | Very high | 83 Ų | 83 | 90.9 Ų | 90.9 | 39% | 0.388 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.1 | -36 | 175 | -71.9 | -174.8 | 159.4 | 0 | 0 | 112.5 | W45 Y46 K52 R53 | W45-E49 PolarHBondContact NE1-OE1 3.39Å; W45-E49 PolarHBondContact O-N 2.97Å; Y46-E49 PolarHBondContact O-N 3.1Å; E49-K52 PolarHBondContact O-N 3.15Å; E49-R53 WeakPolarHBondContact O-CG 3.27Å; E49-R53 PolarHBondContact O-N 3.24Å; E49-R53 PolarHBondContact O-NE 2.87Å |
| 50 | R | 94.7 | Very high | 93.9 | Very high | 121 Ų | 121 | 92 Ų | 92 | 46% | 0.457 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59 | -49.5 | 170.7 | -179.9 | -172.1 | 174.9 | -79.7 | -0.2 | 110.5 | Y46 L47 K52 R53 V54 | Y46-R50 PolarHBondContact O-N 3.35Å; L47-R50 WeakPolarHBondContact O-CB 3.06Å; L47-R50 PolarHBondContact O-N 2.94Å; R50-K52 VanDerWaalsContact C-N 3.3Å; R50-K52 PolarHBondContact O-N 3.22Å; R50-R53 WeakPolarHBondContact O-CB 3.45Å; R50-R53 PolarHBondContact O-N 2.76Å; R50-R53 VanDerWaalsContact O-N 3.08Å; R50-V54 HydrophobicContact CG-CG2 4.25Å; R50-V54 WeakPolarHBondContact O-CG2 3.44Å; R50-V54 PolarHBondContact O-N 3.33Å |
| 51 | D | 94.5 | Very high | 93.8 | Very high | 45 Ų | 45 | 84.7 Ų | 84.7 | 24% | 0.241 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.1 | -37.7 | -178.5 | -66.2 | -16.4 | 0 | 0 | 0 | 111.5 | R37 L47 M48 R53 V54 S55 | R37-D51 IonicContact CZ-OD2 3.62Å; R37-D51 IonicContact NH1-OD2 2.64Å; R37-D51 PolarHBondContact NH1-OD2 2.93Å; R37-D51 IonicContact NH2-OD2 3.8Å; L47-D51 VanDerWaalsContact O-CG 3.26Å; L47-D51 PolarHBondContact O-N 2.89Å; M48-D51 PolarHBondContact O-N 2.85Å; D51-R53 VanDerWaalsContact C-N 3.32Å; D51-R53 PolarHBondContact O-N 3.5Å; D51-V54 PolarHBondContact O-N 3.41Å; D51-S55 WeakPolarHBondContact O-CB 3.46Å; D51-S55 PolarHBondContact O-N 3.4Å |
| 52 | K | 94.3 | Very high | 93.6 | Very high | 85 Ų | 85 | 82.6 Ų | 82.6 | 37% | 0.37 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.8 | -40.4 | 171.8 | -174.4 | 173.4 | 171 | 177 | 0 | 112.8 | M48 E49 R50 N58 | M48-K52 WeakPolarHBondContact O-CB 3.35Å; M48-K52 PolarHBondContact O-N 2.89Å; E49-K52 PolarHBondContact O-N 3.15Å; R50-K52 VanDerWaalsContact C-N 3.3Å; R50-K52 PolarHBondContact O-N 3.22Å; K52-N58 VanDerWaalsContact CE-CG 3.49Å; K52-N58 VanDerWaalsContact CE-O 3.29Å; K52-N58 WeakPolarHBondContact CE-O 3.15Å; K52-N58 WeakPolarHBondContact CE-OD1 3.3Å; K52-N58 WeakPolarHBondContact CG-O 3.34Å |
| 53 | R | 93.4 | Very high | 93.3 | Very high | 159 Ų | 159 | 81 Ų | 81 | 60% | 0.6 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -71.7 | -45.8 | 177.7 | -73.3 | -179.6 | -74.1 | 168 | -4.4 | 112.3 | E49 R50 D51 S55 | E49-R53 WeakPolarHBondContact O-CG 3.27Å; E49-R53 PolarHBondContact O-N 3.24Å; E49-R53 PolarHBondContact O-NE 2.87Å; R50-R53 WeakPolarHBondContact O-CB 3.45Å; R50-R53 PolarHBondContact O-N 2.76Å; R50-R53 VanDerWaalsContact O-N 3.08Å; D51-R53 VanDerWaalsContact C-N 3.32Å; D51-R53 PolarHBondContact O-N 3.5Å; R53-S55 VanDerWaalsContact C-N 3.31Å; R53-S55 PolarHBondContact O-N 3.29Å |
| 54 | V | 93.7 | Very high | 93.1 | Very high | 65 Ų | 65 | 77.4 Ų | 77.4 | 39% | 0.394 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.7 | -30 | -178.5 | 175.2 | 0 | 0 | 0 | 0 | 112 | R50 D51 G56 K64 | R50-V54 HydrophobicContact CG-CG2 4.25Å; R50-V54 WeakPolarHBondContact O-CG2 3.44Å; R50-V54 PolarHBondContact O-N 3.33Å; D51-V54 PolarHBondContact O-N 3.41Å; V54-G56 PolarHBondContact O-N 2.88Å; V54-K64 HydrophobicContact CG1-CB 4.38Å; V54-K64 HydrophobicContact CG1-CG 4.25Å |
| 55 | S | 90.2 | Very high | 92.8 | Very high | 3 Ų | 3 | 76 Ų | 76 | 2% | 0.021 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.9 | -33.7 | 178.8 | 163.3 | 0 | 0 | 0 | 0 | 113.8 | D51 R53 T57 Q59 N62 K64 | D51-S55 WeakPolarHBondContact O-CB 3.46Å; D51-S55 PolarHBondContact O-N 3.4Å; R53-S55 VanDerWaalsContact C-N 3.31Å; R53-S55 PolarHBondContact O-N 3.29Å; S55-T57 PolarHBondContact O-N 2.98Å; S55-T57 VanDerWaalsContact O-N 3.13Å; S55-T57 PolarHBondContact OG-N 3.45Å; S55-T57 PolarHBondContact OG-OG1 2.99Å; S55-Q59 WeakPolarHBondContact CB-O 3.48Å; S55-Q59 PolarHBondContact OG-O 2.95Å; S55-Q59 VanDerWaalsContact OG-O 3.1Å; S55-N62 WeakPolarHBondContact OG-CB 3.39Å; S55-K64 WeakPolarHBondContact O-CE 3.35Å |
| 56 | G | 88.8 | Confident | 92.7 | Very high | 70 Ų | 70 | 76.4 Ų | 76.4 | 72% | 0.722 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 73.5 | -13.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | V54 | V54-G56 PolarHBondContact O-N 2.88Š|
| 57 | T | 88.7 | Confident | 92.5 | Very high | 69 Ų | 69 | 78 Ų | 78 | 42% | 0.423 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -103 | 10.9 | 177.2 | 65.4 | 0 | 0 | 0 | 0 | 113.3 | S55 Q59 N62 | S55-T57 PolarHBondContact O-N 2.98Å; S55-T57 VanDerWaalsContact O-N 3.13Å; S55-T57 PolarHBondContact OG-N 3.45Å; S55-T57 PolarHBondContact OG-OG1 2.99Å; T57-Q59 PolarHBondContact O-N 3.15Å; T57-Q59 VanDerWaalsContact O-N 3.08Å; T57-Q59 PolarHBondContact OG1-OE1 2.87Å; T57-N62 PolarHBondContact OG1-ND2 3.38Å |
| 58 | N | 90.1 | Very high | 92.3 | Very high | 114 Ų | 114 | 80.4 Ų | 80.4 | 61% | 0.61 | 42% | 0.419 | S | S | * | . | S | Bend | trans | 58.4 | 17.5 | -176.5 | -151.3 | 26.5 | 0 | 0 | 0 | 113.9 | K52 | K52-N58 VanDerWaalsContact CE-CG 3.49Å; K52-N58 VanDerWaalsContact CE-O 3.29Å; K52-N58 WeakPolarHBondContact CE-O 3.15Å; K52-N58 WeakPolarHBondContact CE-OD1 3.3Å; K52-N58 WeakPolarHBondContact CG-O 3.34Å |
| 59 | Q | 92.1 | Very high | 92 | Very high | 89 Ų | 89 | 85.4 Ų | 85.4 | 42% | 0.416 | 45% | 0.445 | S | S | . | . | trans | -116.1 | 118.3 | -179.2 | -70.5 | 171.7 | -19.6 | 0 | 0 | 109.6 | S55 T57 F61 N62 | S55-Q59 WeakPolarHBondContact CB-O 3.48Å; S55-Q59 PolarHBondContact OG-O 2.95Å; S55-Q59 VanDerWaalsContact OG-O 3.1Å; T57-Q59 PolarHBondContact O-N 3.15Å; T57-Q59 VanDerWaalsContact O-N 3.08Å; T57-Q59 PolarHBondContact OG1-OE1 2.87Å; Q59-F61 HydrophobicContact CB-CD1 4.31Å; Q59-F61 HydrophobicContact CB-CE1 3.86Å; Q59-F61 HydrophobicContact CB-CE2 4.34Å; Q59-F61 HydrophobicContact CB-CZ 3.88Å; Q59-F61 HydrophobicContact CG-CE1 4.03Å; Q59-F61 HydrophobicContact CG-CZ 3.9Å; Q59-F61 PolarHBondContact O-N 3.27Å; Q59-N62 PolarHBondContact O-N 3.21Å | ||
| 60 | Y | 92.3 | Very high | 91.4 | Very high | 63 Ų | 63 | 94.3 Ų | 94.3 | 25% | 0.247 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -21.8 | -176 | 62 | -101.6 | 0 | 0 | 0 | 114.1 | N31 R37 M48 N62 | N31-Y60 WeakPolarHBondContact OD1-CE2 3.3Å; N31-Y60 VanDerWaalsContact OD1-CZ 3.27Å; N31-Y60 PolarHBondContact OD1-OH 3.43Å; R37-Y60 HydrophobicContact CB-CE2 4.47Å; M48-Y60 HydrophobicContact CG-CD1 4.22Å; M48-Y60 HydrophobicContact CG-CD2 4.3Å; M48-Y60 HydrophobicContact CG-CG 3.86Å; M48-Y60 HydrophobicContact SD-CD1 4.22Å; M48-Y60 HydrophobicContact SD-CE1 4.43Å; M48-Y60 HydrophobicContact SD-CG 4.34Å; Y60-N62 VanDerWaalsContact C-N 3.33Å |
| 61 | F | 91.9 | Very high | 91.2 | Very high | 49 Ų | 49 | 93 Ų | 93 | 22% | 0.215 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -9.5 | -176.7 | 58.5 | -100.2 | 0 | 0 | 0 | 112.8 | T30 N31 K34 Q59 S63 | T30-F61 WeakPolarHBondContact O-CE1 3.17Å; N31-F61 HydrophobicContact CB-CB 4.36Å; N31-F61 WeakPolarHBondContact O-CB 3.36Å; K34-F61 VanDerWaalsContact CE-O 3.32Å; K34-F61 WeakPolarHBondContact CE-O 3.31Å; K34-F61 PolarHBondContact NZ-O 3.26Å; Q59-F61 HydrophobicContact CB-CD1 4.31Å; Q59-F61 HydrophobicContact CB-CE1 3.86Å; Q59-F61 HydrophobicContact CB-CE2 4.34Å; Q59-F61 HydrophobicContact CB-CZ 3.88Å; Q59-F61 HydrophobicContact CG-CE1 4.03Å; Q59-F61 HydrophobicContact CG-CZ 3.9Å; Q59-F61 PolarHBondContact O-N 3.27Å; F61-S63 PolarHBondContact O-N 2.94Å |
| 62 | N | 91.9 | Very high | 91 | Very high | 53 Ų | 53 | 95.5 Ų | 95.5 | 28% | 0.283 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -83.5 | 94.4 | 176.9 | -175.2 | 6.8 | 0 | 0 | 0 | 109.6 | S55 T57 Q59 Y60 | S55-N62 WeakPolarHBondContact OG-CB 3.39Å; T57-N62 PolarHBondContact OG1-ND2 3.38Å; Q59-N62 PolarHBondContact O-N 3.21Å; Y60-N62 VanDerWaalsContact C-N 3.33Å |
| 63 | S | 90.4 | Very high | 90.9 | Very high | 82 Ų | 82 | 96.1 Ų | 96.1 | 57% | 0.573 | 50% | 0.504 | S | S | * | . | trans | -76.2 | 138.5 | -174.4 | -60 | 0 | 0 | 0 | 0 | 111.2 | K34 F61 | K34-S63 PolarHBondContact NZ-OG 2.78Å; F61-S63 PolarHBondContact O-N 2.94Å | ||
| 64 | K | 92.1 | Very high | 90.7 | Very high | 90 Ų | 90 | 92.4 Ų | 92.4 | 39% | 0.391 | 50% | 0.498 | S | S | . | . | trans | -108.2 | 123.1 | 171.1 | -59 | -61.2 | -176.7 | 178.5 | 0 | 108.6 | V54 S55 N68 | V54-K64 HydrophobicContact CG1-CB 4.38Å; V54-K64 HydrophobicContact CG1-CG 4.25Å; S55-K64 WeakPolarHBondContact O-CE 3.35Å; K64-N68 HydrophobicContact CB-CB 4.17Å | ||
| 65 | G | 91.1 | Very high | 90.5 | Very high | 37 Ų | 37 | 94.1 Ų | 94.1 | 38% | 0.381 | 51% | 0.505 | S | S | . | . | trans | -94 | -153.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E67 N68 | G65-E67 WeakPolarHBondContact CA-OE1 3.36Å; G65-E67 WeakPolarHBondContact CA-OE2 3.23Å; G65-E67 VanDerWaalsContact N-CD 3.32Å; G65-E67 PolarHBondContact N-OE1 2.76Å; G65-E67 PolarHBondContact N-OE2 2.67Å; G65-E67 PolarHBondContact O-N 3.21Å; G65-N68 PolarHBondContact O-N 3.34Å | ||
| 66 | L | 93.6 | Very high | 90.6 | Very high | 147 Ų | 147 | 100.2 Ų | 100.2 | 77% | 0.77 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -68.6 | -18.1 | -179.5 | -63.9 | 175 | 0 | 0 | 0 | 112.6 | N68 I69 | L66-N68 PolarHBondContact O-N 3.08Å; L66-N68 VanDerWaalsContact O-N 3.12Å; L66-I69 HydrophobicContact CD2-CD1 4.13Å; L66-I69 PolarHBondContact O-N 2.98Å; L66-I69 VanDerWaalsContact O-N 3.09Å |
| 67 | E | 93 | Very high | 90.7 | Very high | 146 Ų | 146 | 102.4 Ų | 102.4 | 68% | 0.682 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -62.3 | -16.4 | 175.9 | 71 | -76.8 | 175.4 | 0 | 0 | 113.7 | G65 | G65-E67 WeakPolarHBondContact CA-OE1 3.36Å; G65-E67 WeakPolarHBondContact CA-OE2 3.23Å; G65-E67 VanDerWaalsContact N-CD 3.32Å; G65-E67 PolarHBondContact N-OE1 2.76Å; G65-E67 PolarHBondContact N-OE2 2.67Å; G65-E67 PolarHBondContact O-N 3.21Å |
| 68 | N | 91 | Very high | 90.8 | Very high | 100 Ų | 100 | 104.9 Ų | 104.9 | 54% | 0.535 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -90.4 | -2 | 178.6 | -164.6 | 65.6 | 0 | 0 | 0 | 113.3 | K64 G65 L66 | K64-N68 HydrophobicContact CB-CB 4.17Å; G65-N68 PolarHBondContact O-N 3.34Å; L66-N68 PolarHBondContact O-N 3.08Å; L66-N68 VanDerWaalsContact O-N 3.12Å |
| 69 | I | 89.9 | Confident | 90.9 | Very high | 124 Ų | 124 | 104.2 Ų | 104.2 | 64% | 0.636 | 53% | 0.525 | S | S | * | . | trans | -108.9 | 135 | -178.3 | -53.8 | 171.8 | 0 | 0 | 0 | 108.1 | L66 | L66-I69 HydrophobicContact CD2-CD1 4.13Å; L66-I69 PolarHBondContact O-N 2.98Å; L66-I69 VanDerWaalsContact O-N 3.09Å | ||
| 70 | K | 81.5 | Confident | 90.8 | Very high | 270 Ų | 270 | 105.5 Ų | 105.5 | 100% | 1.174 | 54% | 0.535 | S | S | * | . | trans | -101.4 | 0 | 179 | -174.3 | 177.9 | -179.8 | -179 | 0 | 110.9 |
Retrieved 70 of 70 residues in 13.5 ms
(Link to these results)