| 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 | 91.4 | Very high | 97.2 | Very high | 201 Ų | 201 | 102 Ų | 102 | 99% | 0.99 | 57% | 0.573 | S | S | * | * | 0 | -53 | 0 | -65.8 | -179.2 | 76.4 | 0 | 0 | 112.5 | S3 A4 L5 | M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 3.41Å; M1-A4 PolarHBondContact O-N 3.44Å; M1-A4 VanDerWaalsContact O-N 3.09Å; M1-L5 PolarHBondContact O-N 3.35Å; M1-L5 VanDerWaalsContact O-N 3.13Å | |||
| 2 | Q | 97 | Very high | 97 | Very high | 155 Ų | 155 | 109.2 Ų | 109.2 | 72% | 0.724 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -52.9 | -43.5 | -176.7 | -67.3 | -62.8 | -12.7 | 0 | 0 | 114.8 | A4 L5 K6 | Q2-A4 PolarHBondContact O-N 2.95Å; Q2-L5 PolarHBondContact O-N 3.08Å; Q2-K6 PolarHBondContact O-N 3.13Å |
| 3 | S | 97.8 | Very high | 97 | Very high | 94 Ų | 94 | 110.2 Ų | 110.2 | 66% | 0.657 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -58.4 | -47.8 | 176.6 | -171.1 | 0 | 0 | 0 | 0 | 112.5 | M1 L5 K6 T7 | M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 3.41Å; S3-L5 PolarHBondContact O-N 3.01Å; S3-K6 WeakPolarHBondContact O-CB 3.33Å; S3-K6 PolarHBondContact O-N 3.19Å; S3-T7 PolarHBondContact O-N 3.43Å; S3-T7 PolarHBondContact O-OG1 3.46Å |
| 4 | A | 97.9 | Very high | 97 | Very high | 68 Ų | 68 | 105.6 Ų | 105.6 | 56% | 0.562 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.8 | -37.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1 Q2 T7 F8 | M1-A4 PolarHBondContact O-N 3.44Å; M1-A4 VanDerWaalsContact O-N 3.09Å; Q2-A4 PolarHBondContact O-N 2.95Å; A4-T7 PolarHBondContact O-N 3.04Å; A4-F8 WeakPolarHBondContact O-CB 3.43Å; A4-F8 PolarHBondContact O-N 3.46Å |
| 5 | L | 98.3 | Very high | 97.1 | Very high | 98 Ų | 98 | 101.6 Ų | 101.6 | 51% | 0.513 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.6 | -41.3 | 174.5 | -67.7 | 175.5 | 0 | 0 | 0 | 111.6 | M1 Q2 S3 F8 A9 | M1-L5 PolarHBondContact O-N 3.35Å; M1-L5 VanDerWaalsContact O-N 3.13Å; Q2-L5 PolarHBondContact O-N 3.08Å; S3-L5 PolarHBondContact O-N 3.01Å; L5-F8 PolarHBondContact O-N 3.42Å; L5-A9 WeakPolarHBondContact O-CB 3.32Å; L5-A9 PolarHBondContact O-N 2.93Å |
| 6 | K | 98.2 | Very high | 97.1 | Very high | 146 Ų | 146 | 99 Ų | 99 | 64% | 0.635 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61 | -49.2 | 174.4 | -174.6 | 178.9 | 179.4 | -178.4 | 0 | 110.4 | Q2 S3 F8 A9 V10 | Q2-K6 PolarHBondContact O-N 3.13Å; S3-K6 WeakPolarHBondContact O-CB 3.33Å; S3-K6 PolarHBondContact O-N 3.19Å; K6-F8 PolarHBondContact O-N 3.46Å; K6-A9 PolarHBondContact O-N 3.33Å; K6-A9 VanDerWaalsContact O-N 3.11Å; K6-V10 HydrophobicContact CG-CG1 4.28Å; K6-V10 HydrophobicContact CG-CG2 4.38Å; K6-V10 WeakPolarHBondContact O-CG1 3.09Å; K6-V10 VanDerWaalsContact O-CG2 3.24Å; K6-V10 WeakPolarHBondContact O-CG2 3.48Å; K6-V10 PolarHBondContact O-N 3.41Å |
| 7 | T | 98.3 | Very high | 97.1 | Very high | 58 Ų | 58 | 95.9 Ų | 95.9 | 36% | 0.356 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -56.2 | -49.3 | 176.5 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | S3 A4 A9 V10 D11 | S3-T7 PolarHBondContact O-N 3.43Å; S3-T7 PolarHBondContact O-OG1 3.46Å; A4-T7 PolarHBondContact O-N 3.04Å; T7-A9 PolarHBondContact O-N 3.29Å; T7-V10 PolarHBondContact O-N 3.02Å; T7-D11 HydrophobicContact CG2-CB 4.23Å; T7-D11 WeakPolarHBondContact O-CB 3.47Å; T7-D11 PolarHBondContact O-N 3.24Å |
| 8 | F | 98.3 | Very high | 97.2 | Very high | 56 Ų | 56 | 92.9 Ų | 92.9 | 25% | 0.246 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -60.1 | -30.6 | 177.5 | -178.2 | -112.6 | 0 | 0 | 0 | 113.5 | A4 L5 K6 V15 Y20 L23 L24 | A4-F8 WeakPolarHBondContact O-CB 3.43Å; A4-F8 PolarHBondContact O-N 3.46Å; L5-F8 PolarHBondContact O-N 3.42Å; K6-F8 PolarHBondContact O-N 3.46Å; F8-V15 HydrophobicContact CD2-CG2 4.24Å; F8-V15 HydrophobicContact CE2-CG2 3.92Å; F8-Y20 HydrophobicContact CE1-CE2 4.49Å; F8-Y20 AromaticContact CE2-CD2 3.71Å; F8-Y20 HydrophobicContact CE2-CD2 3.71Å; F8-Y20 HydrophobicContact CE2-CE2 4.34Å; F8-Y20 AromaticContact CZ-CD2 3.75Å; F8-Y20 HydrophobicContact CZ-CD2 3.75Å; F8-Y20 HydrophobicContact CZ-CE2 4.09Å; F8-L23 HydrophobicContact CE2-CD1 4.15Å; F8-L23 HydrophobicContact CZ-CB 4.33Å; F8-L23 HydrophobicContact CZ-CD1 4.31Å; F8-L24 HydrophobicContact CE1-CD2 4.15Å; F8-L24 HydrophobicContact CZ-CD2 4.44Å |
| 9 | A | 97 | Very high | 97.2 | Very high | 79 Ų | 79 | 90.4 Ų | 90.4 | 65% | 0.653 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -84.7 | -30.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L5 K6 T7 | L5-A9 WeakPolarHBondContact O-CB 3.32Å; L5-A9 PolarHBondContact O-N 2.93Å; K6-A9 PolarHBondContact O-N 3.33Å; K6-A9 VanDerWaalsContact O-N 3.11Å; T7-A9 PolarHBondContact O-N 3.29Å |
| 10 | V | 97.2 | Very high | 97.3 | Very high | 105 Ų | 105 | 90.3 Ų | 90.3 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -112.2 | -20.3 | -171.2 | -51.3 | 0 | 0 | 0 | 0 | 114.3 | K6 T7 | K6-V10 HydrophobicContact CG-CG1 4.28Å; K6-V10 HydrophobicContact CG-CG2 4.38Å; K6-V10 WeakPolarHBondContact O-CG1 3.09Å; K6-V10 VanDerWaalsContact O-CG2 3.24Å; K6-V10 WeakPolarHBondContact O-CG2 3.48Å; K6-V10 PolarHBondContact O-N 3.41Å; T7-V10 PolarHBondContact O-N 3.02Å |
| 11 | D | 97.8 | Very high | 97.3 | Very high | 62 Ų | 62 | 89.4 Ų | 89.4 | 33% | 0.332 | 50% | 0.5 | S | S | . | . | trans | -110.7 | 99.1 | -179.9 | 178.3 | 7 | 0 | 0 | 0 | 109.9 | T7 T13 S14 | T7-D11 HydrophobicContact CG2-CB 4.23Å; T7-D11 WeakPolarHBondContact O-CB 3.47Å; T7-D11 PolarHBondContact O-N 3.24Å; D11-T13 PolarHBondContact O-N 3.31Å; D11-T13 VanDerWaalsContact O-N 3.15Å; D11-T13 WeakPolarHBondContact OD1-CA 3.43Å; D11-T13 WeakPolarHBondContact OD1-CB 3.33Å; D11-T13 PolarHBondContact OD1-N 3.14Å; D11-T13 PolarHBondContact OD1-OG1 3.2Å; D11-S14 VanDerWaalsContact O-CB 3.29Å; D11-S14 WeakPolarHBondContact O-CB 3.49Å; D11-S14 PolarHBondContact O-N 3.1Å; D11-S14 VanDerWaalsContact O-N 3.12Å; D11-S14 PolarHBondContact O-OG 3.31Å | ||
| 12 | E | 94.6 | Very high | 97.6 | Very high | 188 Ų | 188 | 83 Ų | 83 | 88% | 0.879 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -13.6 | 178.8 | -61.6 | -176.4 | -179.3 | 0 | 0 | 113.2 | ||
| 13 | T | 97.1 | Very high | 97.7 | Very high | 123 Ų | 123 | 80.6 Ų | 80.6 | 76% | 0.755 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -4.6 | 177.5 | 71.3 | 0 | 0 | 0 | 0 | 113.6 | D11 V15 | D11-T13 PolarHBondContact O-N 3.31Å; D11-T13 VanDerWaalsContact O-N 3.15Å; D11-T13 WeakPolarHBondContact OD1-CA 3.43Å; D11-T13 WeakPolarHBondContact OD1-CB 3.33Å; D11-T13 PolarHBondContact OD1-N 3.14Å; D11-T13 PolarHBondContact OD1-OG1 3.2Å; T13-V15 PolarHBondContact O-N 3.35Å |
| 14 | S | 97.8 | Very high | 97.7 | Very high | 45 Ų | 45 | 79.9 Ų | 79.9 | 32% | 0.315 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -65.8 | -24.1 | -177.9 | 64 | 0 | 0 | 0 | 0 | 114.1 | D11 | D11-S14 VanDerWaalsContact O-CB 3.29Å; D11-S14 WeakPolarHBondContact O-CB 3.49Å; D11-S14 PolarHBondContact O-N 3.1Å; D11-S14 VanDerWaalsContact O-N 3.12Å; D11-S14 PolarHBondContact O-OG 3.31Å |
| 15 | V | 97.8 | Very high | 97.7 | Very high | 46 Ų | 46 | 79.7 Ų | 79.7 | 28% | 0.279 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -144.8 | 164.4 | 172 | -64.2 | 0 | 0 | 0 | 0 | 110.2 | F8 T13 I19 | F8-V15 HydrophobicContact CD2-CG2 4.24Å; F8-V15 HydrophobicContact CE2-CG2 3.92Å; T13-V15 PolarHBondContact O-N 3.35Å; V15-I19 HydrophobicContact CB-CB 4.33Å; V15-I19 HydrophobicContact CB-CG2 4.1Å; V15-I19 HydrophobicContact CG1-CG2 4.28Å; V15-I19 HydrophobicContact CG2-CG2 4.43Å |
| 16 | S | 97.1 | Very high | 97.7 | Very high | 60 Ų | 60 | 79.5 Ų | 79.5 | 42% | 0.42 | 45% | 0.448 | S | S | . | . | trans | -67.9 | 151.1 | 171.3 | 70.7 | 0 | 0 | 0 | 0 | 111.6 | Y18 I19 Y20 | S16-Y18 PolarHBondContact O-N 2.94Å; S16-I19 PolarHBondContact O-N 3Å; S16-I19 WeakPolarHBondContact OG-CG1 3.29Å; S16-I19 PolarHBondContact OG-N 3.42Å; S16-Y20 PolarHBondContact O-N 3Å | ||
| 17 | G | 97.4 | Very high | 97.7 | Very high | 46 Ų | 46 | 82 Ų | 82 | 47% | 0.474 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56.5 | -34.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y20 H21 | G17-Y20 PolarHBondContact O-N 2.82Å; G17-H21 PolarHBondContact O-CD2 3.17Å; G17-H21 PolarHBondContact O-N 3.34Å |
| 18 | Y | 98.1 | Very high | 97.7 | Very high | 43 Ų | 43 | 81.1 Ų | 81.1 | 17% | 0.169 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 173.7 | -179.2 | -84.7 | 0 | 0 | 0 | 112.1 | S16 K22 V28 E29 V31 P64 L65 | S16-Y18 PolarHBondContact O-N 2.94Å; Y18-K22 HydrophobicContact CD1-CG 4.12Å; Y18-K22 HydrophobicContact CE1-CG 3.57Å; Y18-K22 HydrophobicContact CE2-CG 4.39Å; Y18-K22 WeakPolarHBondContact O-CB 3.38Å; Y18-K22 PolarHBondContact O-N 3.34Å; Y18-K22 WeakPolarHBondContact OH-CE 3.24Å; Y18-V28 HydrophobicContact CD2-CG2 4.14Å; Y18-V28 HydrophobicContact CE2-CG2 3.91Å; Y18-E29 WeakPolarHBondContact CE2-O 3.31Å; Y18-V31 HydrophobicContact CD2-CB 4.06Å; Y18-V31 HydrophobicContact CD2-CG2 3.51Å; Y18-V31 HydrophobicContact CE2-CB 3.97Å; Y18-V31 HydrophobicContact CE2-CG2 3.69Å; Y18-V31 HydrophobicContact CG-CG2 4.44Å; Y18-P64 HydrophobicContact CD1-CB 3.86Å; Y18-P64 HydrophobicContact CD1-CG 3.38Å; Y18-P64 HydrophobicContact CD2-CG 4.49Å; Y18-P64 HydrophobicContact CE1-CB 4.13Å; Y18-P64 HydrophobicContact CE1-CG 3.27Å; Y18-P64 HydrophobicContact CE2-CG 4.37Å; Y18-P64 HydrophobicContact CG-CG 4.02Å; Y18-L65 HydrophobicContact CE1-CB 4.34Å |
| 19 | I | 98.2 | Very high | 97.6 | Very high | 44 Ų | 44 | 86.9 Ų | 86.9 | 23% | 0.226 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -66 | -42.8 | 179.3 | -69.7 | 175 | 0 | 0 | 0 | 110 | V15 S16 H21 K22 L23 | V15-I19 HydrophobicContact CB-CB 4.33Å; V15-I19 HydrophobicContact CB-CG2 4.1Å; V15-I19 HydrophobicContact CG1-CG2 4.28Å; V15-I19 HydrophobicContact CG2-CG2 4.43Å; S16-I19 PolarHBondContact O-N 3Å; S16-I19 WeakPolarHBondContact OG-CG1 3.29Å; S16-I19 PolarHBondContact OG-N 3.42Å; I19-H21 PolarHBondContact O-N 3.22Å; I19-K22 PolarHBondContact O-N 3.28Å; I19-L23 HydrophobicContact CG2-CD1 3.67Å; I19-L23 HydrophobicContact CG2-CG 4.08Å; I19-L23 WeakPolarHBondContact O-CB 3.49Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.45Å; I19-L23 PolarHBondContact O-N 3.12Å |
| 20 | Y | 98.4 | Very high | 97.5 | Very high | 88 Ų | 88 | 88.9 Ų | 88.9 | 35% | 0.345 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -53.3 | -54.5 | 176.2 | 179.6 | -95.4 | 0 | 0 | 0 | 111.7 | F8 S16 G17 L23 L24 | F8-Y20 HydrophobicContact CE1-CE2 4.49Å; F8-Y20 AromaticContact CE2-CD2 3.71Å; F8-Y20 HydrophobicContact CE2-CD2 3.71Å; F8-Y20 HydrophobicContact CE2-CE2 4.34Å; F8-Y20 AromaticContact CZ-CD2 3.75Å; F8-Y20 HydrophobicContact CZ-CD2 3.75Å; F8-Y20 HydrophobicContact CZ-CE2 4.09Å; S16-Y20 PolarHBondContact O-N 3Å; G17-Y20 PolarHBondContact O-N 2.82Å; Y20-L23 PolarHBondContact O-N 2.91Å; Y20-L24 HydrophobicContact CD1-CD1 4.06Å; Y20-L24 HydrophobicContact CE1-CD1 3.43Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.43Å; Y20-L24 HydrophobicContact CE2-CD1 4.01Å; Y20-L24 VanDerWaalsContact CZ-CD1 3.41Å; Y20-L24 WeakPolarHBondContact O-CG 3.47Å; Y20-L24 PolarHBondContact O-N 2.89Å; Y20-L24 VanDerWaalsContact O-N 3.14Å |
| 21 | H | 98.3 | Very high | 97.5 | Very high | 72 Ų | 72 | 87.2 Ų | 87.2 | 33% | 0.333 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.8 | -41 | -178.7 | -72.5 | -51.5 | 0 | 0 | 0 | 113.5 | G17 I19 L23 L24 G25 H26 V28 | G17-H21 PolarHBondContact O-CD2 3.17Å; G17-H21 PolarHBondContact O-N 3.34Å; I19-H21 PolarHBondContact O-N 3.22Å; H21-L23 VanDerWaalsContact C-N 3.34Å; H21-L23 PolarHBondContact O-N 3.15Å; H21-L24 PolarHBondContact O-N 3.11Å; H21-G25 PolarHBondContact O-N 3.33Å; H21-H26 HydrophobicContact CB-CB 4.09Å; H21-H26 AromaticContact CE1-ND1 3.86Å; H21-H26 AromaticContact ND1-CE1 3.87Å; H21-H26 AromaticContact ND1-CG 3.94Å; H21-H26 AromaticContact ND1-ND1 3.08Å; H21-H26 PolarHBondContact ND1-ND1 2.64Å; H21-H26 PolarHBondContact O-N 2.94Å; H21-V28 HydrophobicContact CB-CG1 3.46Å; H21-V28 VanDerWaalsContact CB-CG1 3.46Å |
| 22 | K | 98.1 | Very high | 97.4 | Very high | 67 Ų | 67 | 90.4 Ų | 90.4 | 29% | 0.291 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 175.4 | -78.9 | -61.1 | -164.6 | -161.3 | 0 | 112 | Y18 I19 L24 G25 V28 D30 L65 | Y18-K22 HydrophobicContact CD1-CG 4.12Å; Y18-K22 HydrophobicContact CE1-CG 3.57Å; Y18-K22 HydrophobicContact CE2-CG 4.39Å; Y18-K22 WeakPolarHBondContact O-CB 3.38Å; Y18-K22 PolarHBondContact O-N 3.34Å; Y18-K22 WeakPolarHBondContact OH-CE 3.24Å; I19-K22 PolarHBondContact O-N 3.28Å; K22-L24 VanDerWaalsContact C-N 3.34Å; K22-G25 PolarHBondContact O-N 2.71Å; K22-V28 HydrophobicContact CD-CG2 3.47Å; K22-V28 VanDerWaalsContact CD-CG2 3.47Å; K22-V28 HydrophobicContact CG-CG2 3.66Å; K22-V28 PolarHBondContact NZ-O 2.95Å; K22-D30 IonicContact NZ-OD1 3.41Å; K22-D30 PolarHBondContact NZ-OD1 3.48Å; K22-L65 HydrophobicContact CB-CD2 4.03Å |
| 23 | L | 98.1 | Very high | 97.4 | Very high | 105 Ų | 105 | 84.8 Ų | 84.8 | 55% | 0.55 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.5 | -31.7 | 178 | -72 | 177.3 | 0 | 0 | 0 | 112.8 | F8 I19 Y20 H21 G25 | F8-L23 HydrophobicContact CE2-CD1 4.15Å; F8-L23 HydrophobicContact CZ-CB 4.33Å; F8-L23 HydrophobicContact CZ-CD1 4.31Å; I19-L23 HydrophobicContact CG2-CD1 3.67Å; I19-L23 HydrophobicContact CG2-CG 4.08Å; I19-L23 WeakPolarHBondContact O-CB 3.49Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.45Å; I19-L23 PolarHBondContact O-N 3.12Å; Y20-L23 PolarHBondContact O-N 2.91Å; H21-L23 VanDerWaalsContact C-N 3.34Å; H21-L23 PolarHBondContact O-N 3.15Å; L23-G25 VanDerWaalsContact C-N 3.28Å |
| 24 | L | 98.2 | Very high | 97.3 | Very high | 78 Ų | 78 | 88.7 Ų | 88.7 | 41% | 0.408 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -0.1 | 175.5 | -65.3 | -176.5 | 0 | 0 | 0 | 114.1 | F8 Y20 H21 K22 H26 | F8-L24 HydrophobicContact CE1-CD2 4.15Å; F8-L24 HydrophobicContact CZ-CD2 4.44Å; Y20-L24 HydrophobicContact CD1-CD1 4.06Å; Y20-L24 HydrophobicContact CE1-CD1 3.43Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.43Å; Y20-L24 HydrophobicContact CE2-CD1 4.01Å; Y20-L24 VanDerWaalsContact CZ-CD1 3.41Å; Y20-L24 WeakPolarHBondContact O-CG 3.47Å; Y20-L24 PolarHBondContact O-N 2.89Å; Y20-L24 VanDerWaalsContact O-N 3.14Å; H21-L24 PolarHBondContact O-N 3.11Å; K22-L24 VanDerWaalsContact C-N 3.34Å; L24-H26 VanDerWaalsContact C-N 3.29Å; L24-H26 PolarHBondContact O-N 3.33Å |
| 25 | G | 98.3 | Very high | 97 | Very high | 65 Ų | 65 | 88 Ų | 88 | 67% | 0.67 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 17.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | H21 K22 L23 | H21-G25 PolarHBondContact O-N 3.33Å; K22-G25 PolarHBondContact O-N 2.71Å; L23-G25 VanDerWaalsContact C-N 3.28Å |
| 26 | H | 98.4 | Very high | 96.8 | Very high | 94 Ų | 94 | 94.6 Ų | 94.6 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | trans | -72.2 | 147.5 | 173.5 | -61.9 | -172.9 | 0 | 0 | 0 | 110.1 | H21 L24 V28 | H21-H26 HydrophobicContact CB-CB 4.09Å; H21-H26 AromaticContact CE1-ND1 3.86Å; H21-H26 AromaticContact ND1-CE1 3.87Å; H21-H26 AromaticContact ND1-CG 3.94Å; H21-H26 AromaticContact ND1-ND1 3.08Å; H21-H26 PolarHBondContact ND1-ND1 2.64Å; H21-H26 PolarHBondContact O-N 2.94Å; L24-H26 VanDerWaalsContact C-N 3.29Å; L24-H26 PolarHBondContact O-N 3.33Å; H26-V28 PolarHBondContact O-N 2.76Å | ||
| 27 | E | 97.8 | Very high | 96.6 | Very high | 199 Ų | 199 | 94.7 Ų | 94.7 | 93% | 0.93 | 49% | 0.489 | S | S | * | . | trans | -71.8 | 120.5 | 171.3 | -66.2 | -170.1 | 168.9 | 0 | 0 | 110 | ||||
| 28 | V | 97.6 | Very high | 96.4 | Very high | 39 Ų | 39 | 94 Ų | 94 | 24% | 0.236 | 48% | 0.477 | C | S | . | . | trans | -138.1 | 141.4 | 173.1 | -61.4 | 0 | 0 | 0 | 0 | 109.5 | Y18 H21 K22 H26 | Y18-V28 HydrophobicContact CD2-CG2 4.14Å; Y18-V28 HydrophobicContact CE2-CG2 3.91Å; H21-V28 HydrophobicContact CB-CG1 3.46Å; H21-V28 VanDerWaalsContact CB-CG1 3.46Å; K22-V28 HydrophobicContact CD-CG2 3.47Å; K22-V28 VanDerWaalsContact CD-CG2 3.47Å; K22-V28 HydrophobicContact CG-CG2 3.66Å; K22-V28 PolarHBondContact NZ-O 2.95Å; H26-V28 PolarHBondContact O-N 2.76Å | ||
| 29 | E | 97.3 | Very high | 96.1 | Very high | 177 Ų | 177 | 102.7 Ų | 102.7 | 83% | 0.827 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 143.1 | 175.6 | -64.7 | -173.7 | 176 | 0 | 0 | 111.3 | Y18 V31 | Y18-E29 WeakPolarHBondContact CE2-O 3.31Å; E29-V31 PolarHBondContact O-N 3.49Å |
| 30 | D | 94.9 | Very high | 95.8 | Very high | 120 Ų | 120 | 108.1 Ų | 108.1 | 64% | 0.642 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 129.8 | -179.4 | -78.2 | -13 | 0 | 0 | 0 | 111.4 | K22 | K22-D30 IonicContact NZ-OD1 3.41Å; K22-D30 PolarHBondContact NZ-OD1 3.48Å |
| 31 | V | 95.9 | Very high | 95.5 | Very high | 71 Ų | 71 | 105.5 Ų | 105.5 | 43% | 0.43 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -101.1 | 135.1 | 179.2 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | Y18 E29 P64 | Y18-V31 HydrophobicContact CD2-CB 4.06Å; Y18-V31 HydrophobicContact CD2-CG2 3.51Å; Y18-V31 HydrophobicContact CE2-CB 3.97Å; Y18-V31 HydrophobicContact CE2-CG2 3.69Å; Y18-V31 HydrophobicContact CG-CG2 4.44Å; E29-V31 PolarHBondContact O-N 3.49Å; V31-P64 HydrophobicContact CB-CG 4.27Å; V31-P64 VanDerWaalsContact O-CD 3.32Å; V31-P64 WeakPolarHBondContact O-CD 3.24Å |
| 32 | I | 96.1 | Very high | 95.1 | Very high | 128 Ų | 128 | 103.2 Ų | 103.2 | 66% | 0.656 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -103.3 | 119.2 | 172.2 | -58.3 | 177.5 | 0 | 0 | 0 | 109.3 | K34 Q62 | I32-K34 PolarHBondContact O-N 3.1Å; I32-Q62 CarbonylContact C-O 3.59Å; I32-Q62 WeakPolarHBondContact CA-O 3.38Å; I32-Q62 HydrophobicContact CG2-CB 4.41Å |
| 33 | I | 95.2 | Very high | 94.8 | Very high | 70 Ų | 70 | 100.2 Ų | 100.2 | 36% | 0.359 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 121.7 | 170.7 | -61 | 177.9 | 0 | 0 | 0 | 108.4 | C35 Q62 P64 | I33-C35 PolarHBondContact O-N 3.35Å; I33-Q62 PolarHBondContact N-O 3.37Å; I33-P64 HydrophobicContact CD1-CB 4.13Å |
| 34 | K | 93.8 | Very high | 94.4 | Very high | 205 Ų | 205 | 103.7 Ų | 103.7 | 89% | 0.891 | 52% | 0.515 | S | S | * | . | trans | -76 | 113.8 | 170.9 | -66.3 | -177.1 | -178.7 | 177.3 | 0 | 108.7 | I32 | I32-K34 PolarHBondContact O-N 3.1Š| ||
| 35 | C | 92.3 | Very high | 93.9 | Very high | 32 Ų | 32 | 103.8 Ų | 103.8 | 22% | 0.216 | 54% | 0.536 | C | S | . | . | trans | -140.3 | 156.3 | 174.2 | 67.2 | 0 | 0 | 0 | 0 | 109.9 | I33 L37 L61 | I33-C35 PolarHBondContact O-N 3.35Å; C35-L37 PolarHBondContact O-N 2.97Å; C35-L61 PolarHBondContact SG-O 3.24Å | ||
| 36 | Q | 92.9 | Very high | 93.5 | Very high | 183 Ų | 183 | 103.5 Ų | 103.5 | 86% | 0.855 | 52% | 0.518 | S | S | * | . | trans | -77.7 | 111.3 | 168.4 | -68.9 | -171.9 | -8.4 | 0 | 0 | 108.5 | ||||
| 37 | L | 94.2 | Very high | 93.1 | Very high | 62 Ų | 62 | 103 Ų | 103 | 33% | 0.325 | 52% | 0.524 | S | S | . | . | trans | -69 | 141.3 | 175.3 | -68.2 | 178 | 0 | 0 | 0 | 110.4 | C35 F41 K58 L61 Q62 | C35-L37 PolarHBondContact O-N 2.97Å; L37-F41 HydrophobicContact CB-CZ 4.46Å; L37-F41 HydrophobicContact CD2-CE1 4.47Å; L37-K58 HydrophobicContact CD1-CD 4.48Å; L37-K58 HydrophobicContact CD1-CG 4.07Å; L37-L61 HydrophobicContact CD2-CB 4.08Å; L37-L61 HydrophobicContact CD2-CD1 4.22Å; L37-Q62 HydrophobicContact CD2-CG 4.01Å | ||
| 38 | P | 93 | Very high | 92.8 | Very high | 33 Ų | 33 | 99 Ų | 99 | 21% | 0.214 | 51% | 0.509 | C | S | . | . | trans | -67.7 | 146.4 | 178.2 | 31.3 | -37.1 | 0 | 0 | 0 | 110.5 | R40 F41 L61 | P38-R40 WeakPolarHBondContact CB-O 3.43Å; P38-R40 PolarHBondContact O-N 3.38Å; P38-F41 HydrophobicContact CG-CD1 3.73Å; P38-F41 HydrophobicContact CG-CE1 3.77Å; P38-F41 HydrophobicContact CG-CG 4.39Å; P38-F41 HydrophobicContact CG-CZ 4.44Å; P38-L61 HydrophobicContact CG-CD1 4.42Å | ||
| 39 | K | 91.2 | Very high | 92.7 | Very high | 225 Ų | 225 | 98.2 Ų | 98.2 | 98% | 0.978 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -64.1 | -31.3 | 174.9 | -66 | -176.8 | 179.5 | 179.7 | 0 | 112.5 | ||
| 40 | R | 91.6 | Very high | 92.6 | Very high | 157 Ų | 157 | 93.6 Ų | 93.6 | 59% | 0.592 | 48% | 0.483 | S | S | * | . | trans | -127.6 | 127.3 | 174.4 | -173 | 176.3 | -177 | 179.3 | 0.1 | 109.1 | P38 D48 | P38-R40 WeakPolarHBondContact CB-O 3.43Å; P38-R40 PolarHBondContact O-N 3.38Å; R40-D48 IonicContact CZ-OD1 3.86Å; R40-D48 IonicContact NH2-OD1 2.78Å; R40-D48 PolarHBondContact NH2-OD1 2.97Å; R40-D48 IonicContact NH2-OD2 3.89Å | ||
| 41 | F | 92.8 | Very high | 92.6 | Very high | 34 Ų | 34 | 95.6 Ų | 95.6 | 15% | 0.149 | 49% | 0.488 | C | S | . | . | trans | -80.4 | -27.6 | -179.8 | -72.5 | -79.4 | 0 | 0 | 0 | 113 | L37 P38 A43 I54 V57 K58 L61 T82 H86 | L37-F41 HydrophobicContact CB-CZ 4.46Å; L37-F41 HydrophobicContact CD2-CE1 4.47Å; P38-F41 HydrophobicContact CG-CD1 3.73Å; P38-F41 HydrophobicContact CG-CE1 3.77Å; P38-F41 HydrophobicContact CG-CG 4.39Å; P38-F41 HydrophobicContact CG-CZ 4.44Å; F41-A43 PolarHBondContact O-N 3.36Å; F41-I54 HydrophobicContact CB-CG1 4.49Å; F41-I54 HydrophobicContact CB-CG2 4.42Å; F41-I54 HydrophobicContact CD2-CG2 3.73Å; F41-I54 HydrophobicContact CE2-CG2 4.26Å; F41-I54 HydrophobicContact CG-CG2 4.17Å; F41-V57 HydrophobicContact CD1-CB 4.07Å; F41-V57 HydrophobicContact CD1-CG1 3.64Å; F41-V57 HydrophobicContact CE1-CG1 4.3Å; F41-K58 HydrophobicContact CE1-CB 3.86Å; F41-K58 HydrophobicContact CE1-CG 4.45Å; F41-K58 HydrophobicContact CZ-CB 3.78Å; F41-K58 HydrophobicContact CZ-CD 4.39Å; F41-K58 HydrophobicContact CZ-CG 4.02Å; F41-L61 HydrophobicContact CE1-CD1 4.34Å; F41-T82 WeakPolarHBondContact O-CG2 3.32Å; F41-H86 PolarHBondContact O-NE2 3.09Å | ||
| 42 | T | 90.4 | Very high | 92.7 | Very high | 23 Ų | 23 | 96.1 Ų | 96.1 | 14% | 0.141 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -62.9 | 127.4 | 173.4 | -44.5 | 0 | 0 | 0 | 0 | 110.8 | P47 D48 | T42-P47 WeakPolarHBondContact CG2-O 3.41Å; T42-D48 PolarHBondContact OG1-OD1 3.21Å |
| 43 | A | 90.5 | Very high | 92.8 | Very high | 5 Ų | 5 | 91.1 Ų | 91.1 | 4% | 0.041 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -79 | 151.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F41 G45 L46 T82 Y85 | F41-A43 PolarHBondContact O-N 3.36Å; A43-G45 PolarHBondContact O-N 3.49Å; A43-L46 HydrophobicContact CB-CD1 3.99Å; A43-L46 HydrophobicContact CB-CG 4.37Å; A43-L46 PolarHBondContact O-N 2.96Å; A43-T82 HydrophobicContact CB-CG2 4.39Å; A43-Y85 HydrophobicContact CB-CD1 3.57Å; A43-Y85 HydrophobicContact CB-CD2 4.1Å; A43-Y85 HydrophobicContact CB-CE1 4.02Å; A43-Y85 HydrophobicContact CB-CE2 4.49Å; A43-Y85 HydrophobicContact CB-CG 3.62Å |
| 44 | Q | 89.2 | Confident | 92.8 | Very high | 177 Ų | 177 | 90.6 Ų | 90.6 | 83% | 0.827 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 131.7 | 178.4 | -172.4 | 177.6 | 17.7 | 0 | 0 | 110.9 | L46 | Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.43Å |
| 45 | G | 88.5 | Confident | 93 | Very high | 81 Ų | 81 | 87.9 Ų | 87.9 | 84% | 0.835 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 2.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | A43 | A43-G45 PolarHBondContact O-N 3.49Š|
| 46 | L | 89.9 | Confident | 93.3 | Very high | 58 Ų | 58 | 87.2 Ų | 87.2 | 30% | 0.304 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -106 | 154.2 | 173.1 | -63.8 | -173.7 | 0 | 0 | 0 | 111.9 | A43 Q44 V78 A81 T82 | A43-L46 HydrophobicContact CB-CD1 3.99Å; A43-L46 HydrophobicContact CB-CG 4.37Å; A43-L46 PolarHBondContact O-N 2.96Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.43Å; L46-V78 HydrophobicContact CB-CG1 4.17Å; L46-V78 HydrophobicContact CD1-CG1 4.09Å; L46-V78 HydrophobicContact CD2-CG1 4.43Å; L46-V78 HydrophobicContact CG-CG1 4.47Å; L46-A81 HydrophobicContact CD1-CB 3.99Å; L46-T82 VanDerWaalsContact CD1-OG1 3.3Å; L46-T82 WeakPolarHBondContact CD1-OG1 3.35Å |
| 47 | P | 90.6 | Very high | 93.5 | Very high | 84 Ų | 84 | 78.5 Ų | 78.5 | 55% | 0.545 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 154.4 | 174.6 | -23.3 | 33 | 0 | 0 | 0 | 112.4 | T42 F49 | T42-P47 WeakPolarHBondContact CG2-O 3.41Å; P47-F49 VanDerWaalsContact O-CD1 3.27Å; P47-F49 WeakPolarHBondContact O-CD1 3.39Å |
| 48 | D | 91.5 | Very high | 93.7 | Very high | 116 Ų | 116 | 80.1 Ų | 80.1 | 62% | 0.62 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 145.5 | 172.6 | -80.6 | -42 | 0 | 0 | 0 | 112 | R40 T42 | R40-D48 IonicContact CZ-OD1 3.86Å; R40-D48 IonicContact NH2-OD1 2.78Å; R40-D48 PolarHBondContact NH2-OD1 2.97Å; R40-D48 IonicContact NH2-OD2 3.89Å; T42-D48 PolarHBondContact OG1-OD1 3.21Å |
| 49 | F | 94.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 79.6 Ų | 79.6 | 9% | 0.092 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -93.4 | 141.7 | -173.1 | -80.9 | 23.3 | 0 | 0 | 0 | 110.8 | P47 Q53 I54 V57 V78 T79 T82 | P47-F49 VanDerWaalsContact O-CD1 3.27Å; P47-F49 WeakPolarHBondContact O-CD1 3.39Å; F49-Q53 HydrophobicContact CB-CB 3.94Å; F49-Q53 HydrophobicContact CD2-CB 3.51Å; F49-Q53 HydrophobicContact CE2-CB 4.1Å; F49-Q53 HydrophobicContact CG-CB 3.84Å; F49-I54 HydrophobicContact CB-CD1 4.36Å; F49-I54 HydrophobicContact CB-CG1 3.68Å; F49-V57 HydrophobicContact CD2-CG2 4.09Å; F49-V57 HydrophobicContact CE2-CG2 3.66Å; F49-V78 HydrophobicContact CE1-CG1 3.58Å; F49-V78 HydrophobicContact CZ-CG1 3.96Å; F49-T79 HydrophobicContact CE2-CG2 4.42Å; F49-T82 HydrophobicContact CE2-CG2 3.79Å; F49-T82 HydrophobicContact CZ-CG2 3.94Å; F49-T82 WeakPolarHBondContact CZ-OG1 3.49Å |
| 50 | N | 95.1 | Very high | 94.2 | Very high | 80 Ų | 80 | 70.2 Ų | 70.2 | 43% | 0.428 | 37% | 0.37 | S | S | . | . | trans | -77.3 | 174.8 | 166 | 69.3 | 39.3 | 0 | 0 | 0 | 111 | S52 Q53 I54 | N50-S52 VanDerWaalsContact C-N 3.34Å; N50-S52 PolarHBondContact O-N 3.37Å; N50-S52 PolarHBondContact OD1-N 2.91Å; N50-S52 VanDerWaalsContact OD1-N 3.1Å; N50-S52 PolarHBondContact OD1-OG 3.46Å; N50-Q53 PolarHBondContact O-N 3.19Å; N50-Q53 WeakPolarHBondContact OD1-CG 3.36Å; N50-Q53 PolarHBondContact OD1-N 3.42Å; N50-I54 WeakPolarHBondContact O-CG1 3.49Å; N50-I54 PolarHBondContact O-N 3.24Å | ||
| 51 | H | 96.3 | Very high | 94.5 | Very high | 162 Ų | 162 | 62.9 Ų | 62.9 | 75% | 0.75 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.9 | -38.7 | -174.9 | -158.5 | 76.8 | 0 | 0 | 0 | 113.5 | I54 Y55 | H51-I54 PolarHBondContact O-N 3.28Å; H51-Y55 WeakPolarHBondContact O-CB 3.38Å; H51-Y55 PolarHBondContact O-N 3.38Å |
| 52 | S | 97.4 | Very high | 94.7 | Very high | 82 Ų | 82 | 64 Ų | 64 | 57% | 0.573 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -71.8 | -34.5 | -178.9 | 64.1 | 0 | 0 | 0 | 0 | 112.2 | N50 Y55 A56 | N50-S52 VanDerWaalsContact C-N 3.34Å; N50-S52 PolarHBondContact O-N 3.37Å; N50-S52 PolarHBondContact OD1-N 2.91Å; N50-S52 VanDerWaalsContact OD1-N 3.1Å; N50-S52 PolarHBondContact OD1-OG 3.46Å; S52-Y55 PolarHBondContact O-N 2.96Å; S52-A56 WeakPolarHBondContact O-CB 3.43Å; S52-A56 PolarHBondContact O-N 3.02Å |
| 53 | Q | 97.5 | Very high | 95 | Very high | 24 Ų | 24 | 69 Ų | 69 | 11% | 0.112 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.9 | -43.7 | 174.4 | -65.7 | 168 | -29.5 | 0 | 0 | 111.3 | F49 N50 Y55 A56 V57 T74 | F49-Q53 HydrophobicContact CB-CB 3.94Å; F49-Q53 HydrophobicContact CD2-CB 3.51Å; F49-Q53 HydrophobicContact CE2-CB 4.1Å; F49-Q53 HydrophobicContact CG-CB 3.84Å; N50-Q53 PolarHBondContact O-N 3.19Å; N50-Q53 WeakPolarHBondContact OD1-CG 3.36Å; N50-Q53 PolarHBondContact OD1-N 3.42Å; Q53-Y55 VanDerWaalsContact C-N 3.32Å; Q53-Y55 PolarHBondContact O-N 3.45Å; Q53-A56 PolarHBondContact O-N 3.1Å; Q53-V57 WeakPolarHBondContact O-CG2 3.42Å; Q53-V57 PolarHBondContact O-N 2.91Å; Q53-T74 PolarHBondContact NE2-O 2.98Å |
| 54 | I | 97.1 | Very high | 95.3 | Very high | 58 Ų | 58 | 70.3 Ų | 70.3 | 30% | 0.297 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 173.9 | -67.4 | 171.1 | 0 | 0 | 0 | 110.4 | F41 F49 N50 H51 A56 V57 K58 | F41-I54 HydrophobicContact CB-CG1 4.49Å; F41-I54 HydrophobicContact CB-CG2 4.42Å; F41-I54 HydrophobicContact CD2-CG2 3.73Å; F41-I54 HydrophobicContact CE2-CG2 4.26Å; F41-I54 HydrophobicContact CG-CG2 4.17Å; F49-I54 HydrophobicContact CB-CD1 4.36Å; F49-I54 HydrophobicContact CB-CG1 3.68Å; N50-I54 WeakPolarHBondContact O-CG1 3.49Å; N50-I54 PolarHBondContact O-N 3.24Å; H51-I54 PolarHBondContact O-N 3.28Å; I54-A56 VanDerWaalsContact C-N 3.33Å; I54-A56 PolarHBondContact O-N 3.33Å; I54-V57 PolarHBondContact O-N 3.12Å; I54-K58 WeakPolarHBondContact O-CB 3.5Å; I54-K58 PolarHBondContact O-N 3.22Å |
| 55 | Y | 97.7 | Very high | 95.7 | Very high | 148 Ų | 148 | 65.6 Ų | 65.6 | 58% | 0.58 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.9 | -42.9 | 177.2 | 179.2 | -99.7 | 0 | 0 | 0 | 112.1 | H51 S52 Q53 K58 T59 | H51-Y55 WeakPolarHBondContact O-CB 3.38Å; H51-Y55 PolarHBondContact O-N 3.38Å; S52-Y55 PolarHBondContact O-N 2.96Å; Q53-Y55 VanDerWaalsContact C-N 3.32Å; Q53-Y55 PolarHBondContact O-N 3.45Å; Y55-K58 PolarHBondContact O-N 3.49Å; Y55-T59 VanDerWaalsContact O-CB 3.31Å; Y55-T59 WeakPolarHBondContact O-CB 3.49Å; Y55-T59 PolarHBondContact O-N 3.47Å; Y55-T59 PolarHBondContact O-OG1 3.35Å |
| 56 | A | 98.1 | Very high | 96.2 | Very high | 19 Ų | 19 | 63.6 Ų | 63.6 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61 | -49.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S52 Q53 I54 K58 T59 V60 T79 | S52-A56 WeakPolarHBondContact O-CB 3.43Å; S52-A56 PolarHBondContact O-N 3.02Å; Q53-A56 PolarHBondContact O-N 3.1Å; I54-A56 VanDerWaalsContact C-N 3.33Å; I54-A56 PolarHBondContact O-N 3.33Å; A56-K58 PolarHBondContact O-N 2.93Å; A56-T59 PolarHBondContact O-N 3.45Å; A56-V60 WeakPolarHBondContact O-CB 3.38Å; A56-V60 WeakPolarHBondContact O-CG2 3.08Å; A56-V60 PolarHBondContact O-N 3.13Å; A56-T79 HydrophobicContact CB-CG2 4.09Å |
| 57 | V | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.1 | -49.6 | 178.5 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | F41 F49 Q53 I54 T59 V60 L61 T79 T82 I83 | F41-V57 HydrophobicContact CD1-CB 4.07Å; F41-V57 HydrophobicContact CD1-CG1 3.64Å; F41-V57 HydrophobicContact CE1-CG1 4.3Å; F49-V57 HydrophobicContact CD2-CG2 4.09Å; F49-V57 HydrophobicContact CE2-CG2 3.66Å; Q53-V57 WeakPolarHBondContact O-CG2 3.42Å; Q53-V57 PolarHBondContact O-N 2.91Å; I54-V57 PolarHBondContact O-N 3.12Å; V57-T59 VanDerWaalsContact C-N 3.33Å; V57-T59 PolarHBondContact O-N 2.98Å; V57-V60 PolarHBondContact O-N 3.43Å; V57-L61 HydrophobicContact CG1-CD1 4.03Å; V57-L61 HydrophobicContact CG1-CG 4.39Å; V57-L61 WeakPolarHBondContact O-CG 2.92Å; V57-L61 PolarHBondContact O-N 3.35Å; V57-L61 VanDerWaalsContact O-N 3.1Å; V57-T79 HydrophobicContact CG2-CG2 4.09Å; V57-T82 HydrophobicContact CG1-CG2 4.25Å; V57-T82 HydrophobicContact CG2-CG2 3.93Å; V57-I83 HydrophobicContact CB-CG1 4.4Å; V57-I83 HydrophobicContact CG1-CG1 4.28Å; V57-I83 HydrophobicContact CG2-CG1 4.11Å |
| 58 | K | 97.3 | Very high | 96.9 | Very high | 95 Ų | 95 | 68.5 Ų | 68.5 | 41% | 0.413 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.8 | -47.1 | 179.3 | 179.9 | 179.8 | 176.6 | -175.2 | 0 | 111.8 | L37 F41 I54 Y55 A56 | L37-K58 HydrophobicContact CD1-CD 4.48Å; L37-K58 HydrophobicContact CD1-CG 4.07Å; F41-K58 HydrophobicContact CE1-CB 3.86Å; F41-K58 HydrophobicContact CE1-CG 4.45Å; F41-K58 HydrophobicContact CZ-CB 3.78Å; F41-K58 HydrophobicContact CZ-CD 4.39Å; F41-K58 HydrophobicContact CZ-CG 4.02Å; I54-K58 WeakPolarHBondContact O-CB 3.5Å; I54-K58 PolarHBondContact O-N 3.22Å; Y55-K58 PolarHBondContact O-N 3.49Å; A56-K58 PolarHBondContact O-N 2.93Å |
| 59 | T | 97.9 | Very high | 97.2 | Very high | 23 Ų | 23 | 72.2 Ų | 72.2 | 14% | 0.141 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.4 | -43.5 | -177.6 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | Y55 A56 V57 L61 Q62 R63 | Y55-T59 VanDerWaalsContact O-CB 3.31Å; Y55-T59 WeakPolarHBondContact O-CB 3.49Å; Y55-T59 PolarHBondContact O-N 3.47Å; Y55-T59 PolarHBondContact O-OG1 3.35Å; A56-T59 PolarHBondContact O-N 3.45Å; V57-T59 VanDerWaalsContact C-N 3.33Å; V57-T59 PolarHBondContact O-N 2.98Å; T59-L61 PolarHBondContact O-N 3.09Å; T59-Q62 PolarHBondContact O-N 3.47Å; T59-R63 HydrophobicContact CG2-CG 4.48Å; T59-R63 WeakPolarHBondContact O-CG 3.32Å; T59-R63 PolarHBondContact O-N 3.33Å |
| 60 | V | 98 | Very high | 97.3 | Very high | 28 Ų | 28 | 72 Ų | 72 | 17% | 0.17 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.7 | -40.2 | -178.6 | 172 | 0 | 0 | 0 | 0 | 111.6 | A56 V57 Q62 R63 I68 I83 | A56-V60 WeakPolarHBondContact O-CB 3.38Å; A56-V60 WeakPolarHBondContact O-CG2 3.08Å; A56-V60 PolarHBondContact O-N 3.13Å; V57-V60 PolarHBondContact O-N 3.43Å; V60-Q62 PolarHBondContact O-N 2.8Å; V60-Q62 VanDerWaalsContact O-N 3.1Å; V60-R63 PolarHBondContact O-N 2.94Å; V60-I68 HydrophobicContact CG2-CD1 3.71Å; V60-I68 HydrophobicContact CG2-CG1 4.03Å; V60-I83 HydrophobicContact CB-CD1 4.13Å; V60-I83 HydrophobicContact CB-CG1 4.37Å; V60-I83 HydrophobicContact CG1-CD1 4.04Å; V60-I83 HydrophobicContact CG1-CG1 4.23Å; V60-I83 HydrophobicContact CG1-CG2 3.68Å; V60-I83 HydrophobicContact CG2-CD1 3.98Å |
| 61 | L | 96.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 72.4 Ų | 72.4 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -16.1 | 179 | -68.9 | 177.5 | 0 | 0 | 0 | 113.7 | C35 L37 P38 F41 V57 T59 H86 L87 | C35-L61 PolarHBondContact SG-O 3.24Å; L37-L61 HydrophobicContact CD2-CB 4.08Å; L37-L61 HydrophobicContact CD2-CD1 4.22Å; P38-L61 HydrophobicContact CG-CD1 4.42Å; F41-L61 HydrophobicContact CE1-CD1 4.34Å; V57-L61 HydrophobicContact CG1-CD1 4.03Å; V57-L61 HydrophobicContact CG1-CG 4.39Å; V57-L61 WeakPolarHBondContact O-CG 2.92Å; V57-L61 PolarHBondContact O-N 3.35Å; V57-L61 VanDerWaalsContact O-N 3.1Å; T59-L61 PolarHBondContact O-N 3.09Å; L61-H86 HydrophobicContact CD1-CB 4Å; L61-H86 HydrophobicContact CD2-CB 4Å; L61-L87 HydrophobicContact CD2-CD2 3.78Å; L61-L87 HydrophobicContact CD2-CG 3.96Å |
| 62 | Q | 97.2 | Very high | 97.3 | Very high | 56 Ų | 56 | 70.7 Ų | 70.7 | 26% | 0.262 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 2.1 | -176.6 | -60.1 | -170.8 | -84.2 | 0 | 0 | 113.4 | I32 I33 L37 T59 V60 | I32-Q62 CarbonylContact C-O 3.59Å; I32-Q62 WeakPolarHBondContact CA-O 3.38Å; I32-Q62 HydrophobicContact CG2-CB 4.41Å; I33-Q62 PolarHBondContact N-O 3.37Å; L37-Q62 HydrophobicContact CD2-CG 4.01Å; T59-Q62 PolarHBondContact O-N 3.47Å; V60-Q62 PolarHBondContact O-N 2.8Å; V60-Q62 VanDerWaalsContact O-N 3.1Å |
| 63 | R | 97.6 | Very high | 97.2 | Very high | 129 Ų | 129 | 71 Ų | 71 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | trans | -125.2 | 136.1 | -177.1 | -70.9 | -174.4 | 177.7 | -176.6 | -4.1 | 111.4 | T59 V60 L65 | T59-R63 HydrophobicContact CG2-CG 4.48Å; T59-R63 WeakPolarHBondContact O-CG 3.32Å; T59-R63 PolarHBondContact O-N 3.33Å; V60-R63 PolarHBondContact O-N 2.94Å; R63-L65 PolarHBondContact O-N 3.08Å | ||
| 64 | P | 96.9 | Very high | 97.1 | Very high | 33 Ų | 33 | 72.7 Ų | 72.7 | 21% | 0.214 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -68.4 | -21.3 | 176.1 | 29 | -37 | 0 | 0 | 0 | 113.6 | Y18 V31 I33 | Y18-P64 HydrophobicContact CD1-CB 3.86Å; Y18-P64 HydrophobicContact CD1-CG 3.38Å; Y18-P64 HydrophobicContact CD2-CG 4.49Å; Y18-P64 HydrophobicContact CE1-CB 4.13Å; Y18-P64 HydrophobicContact CE1-CG 3.27Å; Y18-P64 HydrophobicContact CE2-CG 4.37Å; Y18-P64 HydrophobicContact CG-CG 4.02Å; V31-P64 HydrophobicContact CB-CG 4.27Å; V31-P64 VanDerWaalsContact O-CD 3.32Å; V31-P64 WeakPolarHBondContact O-CD 3.24Å; I33-P64 HydrophobicContact CD1-CB 4.13Å |
| 65 | L | 98 | Very high | 97.1 | Very high | 78 Ų | 78 | 71 Ų | 71 | 41% | 0.408 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -140.6 | 130.4 | 174.3 | -177.1 | 62.1 | 0 | 0 | 0 | 109.2 | Y18 K22 R63 | Y18-L65 HydrophobicContact CE1-CB 4.34Å; K22-L65 HydrophobicContact CB-CD2 4.03Å; R63-L65 PolarHBondContact O-N 3.08Å |
| 66 | S | 98.2 | Very high | 97 | Very high | 39 Ų | 39 | 68 Ų | 68 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | trans | -141.4 | 141.5 | 177.5 | -69.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 67 | L | 98.2 | Very high | 96.9 | Very high | 173 Ų | 173 | 72.8 Ų | 72.8 | 91% | 0.906 | 42% | 0.416 | S | S | * | . | trans | -113.1 | 125.9 | 170.6 | -68.9 | 173 | 0 | 0 | 0 | 108.5 | ||||
| 68 | I | 97.8 | Very high | 96.9 | Very high | 71 Ų | 71 | 74.8 Ų | 74.8 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | trans | -111.3 | 121.9 | 176.8 | -54.9 | 174.4 | 0 | 0 | 0 | 108 | V60 I83 | V60-I68 HydrophobicContact CG2-CD1 3.71Å; V60-I68 HydrophobicContact CG2-CG1 4.03Å; I68-I83 HydrophobicContact CD1-CD1 3.42Å; I68-I83 VanDerWaalsContact CD1-CD1 3.42Å | ||
| 69 | Q | 97.3 | Very high | 96.9 | Very high | 195 Ų | 195 | 70.5 Ų | 70.5 | 91% | 0.911 | 41% | 0.41 | S | S | * | . | trans | -114.7 | 140.3 | 174.8 | -173.7 | -175.3 | -3.8 | 0 | 0 | 109.7 | ||||
| 70 | G | 95.4 | Very high | 96.9 | Very high | 17 Ų | 17 | 72.1 Ų | 72.1 | 18% | 0.175 | 42% | 0.422 | C | S | . | . | trans | -158.1 | 137.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T74 K76 | G70-T74 VanDerWaalsContact C-OG1 3.28Å; G70-T74 WeakPolarHBondContact CA-OG1 3.36Å; G70-K76 WeakPolarHBondContact O-CD 3.35Å; G70-K76 WeakPolarHBondContact O-CE 3.35Å; G70-K76 PolarHBondContact O-NZ 3.08Å | ||
| 71 | P | 95.9 | Very high | 96.8 | Very high | 88 Ų | 88 | 72.9 Ų | 72.9 | 57% | 0.571 | 43% | 0.431 | S | S | * | . | trans | -53.9 | 168.3 | 170.9 | -26.9 | 31.5 | 0 | 0 | 0 | 114.1 | T74 K76 | P71-T74 HydrophobicContact CB-CG2 3.87Å; P71-T74 HydrophobicContact CG-CG2 4.12Å; P71-T74 WeakPolarHBondContact O-CG2 3.4Å; P71-T74 PolarHBondContact O-N 3.22Å; P71-T74 PolarHBondContact O-OG1 3.49Å; P71-K76 PolarHBondContact O-NZ 3.39Å; P71-K76 VanDerWaalsContact O-NZ 3.09Å | ||
| 72 | P | 97 | Very high | 96.8 | Very high | 126 Ų | 126 | 72.7 Ų | 72.7 | 82% | 0.818 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 141.2 | 169 | -24.9 | 35.4 | 0 | 0 | 0 | 111.5 | T74 | P72-T74 VanDerWaalsContact C-N 3.28Å; P72-T74 PolarHBondContact O-N 3.39Å |
| 73 | G | 94.6 | Very high | 96.8 | Very high | 87 Ų | 87 | 70.7 Ų | 70.7 | 90% | 0.897 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | -3.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | G75 | G73-G75 PolarHBondContact O-N 3.42Å; G73-G75 VanDerWaalsContact O-N 3.16Å |
| 74 | T | 95.6 | Very high | 96.7 | Very high | 60 Ų | 60 | 69 Ų | 69 | 37% | 0.368 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -82 | 13.2 | -176.4 | 58.7 | 0 | 0 | 0 | 0 | 115.6 | Q53 G70 P71 P72 K76 | Q53-T74 PolarHBondContact NE2-O 2.98Å; G70-T74 VanDerWaalsContact C-OG1 3.28Å; G70-T74 WeakPolarHBondContact CA-OG1 3.36Å; P71-T74 HydrophobicContact CB-CG2 3.87Å; P71-T74 HydrophobicContact CG-CG2 4.12Å; P71-T74 WeakPolarHBondContact O-CG2 3.4Å; P71-T74 PolarHBondContact O-N 3.22Å; P71-T74 PolarHBondContact O-OG1 3.49Å; P72-T74 VanDerWaalsContact C-N 3.28Å; P72-T74 PolarHBondContact O-N 3.39Å; T74-K76 PolarHBondContact O-N 3.48Å |
| 75 | G | 95.9 | Very high | 96.7 | Very high | 22 Ų | 22 | 71.3 Ų | 71.3 | 23% | 0.227 | 43% | 0.43 | C | S | . | . | trans | 74.5 | 19.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | G73 T77 V78 T79 | G73-G75 PolarHBondContact O-N 3.42Å; G73-G75 VanDerWaalsContact O-N 3.16Å; G75-T77 VanDerWaalsContact C-N 3.27Å; G75-T77 PolarHBondContact O-N 3.18Å; G75-V78 PolarHBondContact O-N 3.44Å; G75-T79 PolarHBondContact O-N 3.19Å; G75-T79 PolarHBondContact O-OG1 2.99Å; G75-T79 VanDerWaalsContact O-OG1 3.11Å | ||
| 76 | K | 96.9 | Very high | 96.6 | Very high | 85 Ų | 85 | 68.3 Ų | 68.3 | 37% | 0.37 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -45.1 | -48.7 | 177.3 | -68.9 | -172.5 | -65.6 | -68.3 | 0 | 113.2 | G70 P71 T74 V78 T79 S80 | G70-K76 WeakPolarHBondContact O-CD 3.35Å; G70-K76 WeakPolarHBondContact O-CE 3.35Å; G70-K76 PolarHBondContact O-NZ 3.08Å; P71-K76 PolarHBondContact O-NZ 3.39Å; P71-K76 VanDerWaalsContact O-NZ 3.09Å; T74-K76 PolarHBondContact O-N 3.48Å; K76-V78 PolarHBondContact O-N 2.92Å; K76-T79 PolarHBondContact O-N 3.11Å; K76-S80 WeakPolarHBondContact O-CB 2.99Å; K76-S80 PolarHBondContact O-N 3.26Å; K76-S80 PolarHBondContact O-OG 3.15Å; K76-S80 VanDerWaalsContact O-OG 3.08Å |
| 77 | T | 96.1 | Very high | 96.4 | Very high | 120 Ų | 120 | 70.5 Ų | 70.5 | 74% | 0.736 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.3 | -41.9 | 179.9 | -49.7 | 0 | 0 | 0 | 0 | 112.2 | G75 S80 A81 | G75-T77 VanDerWaalsContact C-N 3.27Å; G75-T77 PolarHBondContact O-N 3.18Å; T77-S80 PolarHBondContact O-N 3.33Å; T77-A81 WeakPolarHBondContact O-CB 3.27Å; T77-A81 PolarHBondContact O-N 3.01Å |
| 78 | V | 96.4 | Very high | 96.2 | Very high | 43 Ų | 43 | 66 Ų | 66 | 26% | 0.261 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 178.4 | -173.7 | 0 | 0 | 0 | 0 | 110.2 | L46 F49 G75 K76 A81 T82 | L46-V78 HydrophobicContact CB-CG1 4.17Å; L46-V78 HydrophobicContact CD1-CG1 4.09Å; L46-V78 HydrophobicContact CD2-CG1 4.43Å; L46-V78 HydrophobicContact CG-CG1 4.47Å; F49-V78 HydrophobicContact CE1-CG1 3.58Å; F49-V78 HydrophobicContact CZ-CG1 3.96Å; G75-V78 PolarHBondContact O-N 3.44Å; K76-V78 PolarHBondContact O-N 2.92Å; V78-A81 PolarHBondContact O-N 2.87Å; V78-T82 PolarHBondContact O-N 2.99Å; V78-T82 PolarHBondContact O-OG1 3.28Å |
| 79 | T | 97.5 | Very high | 95.9 | Very high | 5 Ų | 5 | 71 Ų | 71 | 3% | 0.031 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.6 | -47.4 | 173.8 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | F49 A56 V57 G75 K76 T82 I83 | F49-T79 HydrophobicContact CE2-CG2 4.42Å; A56-T79 HydrophobicContact CB-CG2 4.09Å; V57-T79 HydrophobicContact CG2-CG2 4.09Å; G75-T79 PolarHBondContact O-N 3.19Å; G75-T79 PolarHBondContact O-OG1 2.99Å; G75-T79 VanDerWaalsContact O-OG1 3.11Å; K76-T79 PolarHBondContact O-N 3.11Å; T79-T82 WeakPolarHBondContact O-CB 3.49Å; T79-T82 PolarHBondContact O-N 3.32Å; T79-I83 HydrophobicContact CG2-CD1 4.21Å; T79-I83 WeakPolarHBondContact O-CG1 3.3Å; T79-I83 PolarHBondContact O-N 2.78Å |
| 80 | S | 97.4 | Very high | 95.4 | Very high | 56 Ų | 56 | 64.2 Ų | 64.2 | 39% | 0.392 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 177.2 | -63 | 0 | 0 | 0 | 0 | 112.5 | K76 T77 T82 I83 V84 | K76-S80 WeakPolarHBondContact O-CB 2.99Å; K76-S80 PolarHBondContact O-N 3.26Å; K76-S80 PolarHBondContact O-OG 3.15Å; K76-S80 VanDerWaalsContact O-OG 3.08Å; T77-S80 PolarHBondContact O-N 3.33Å; S80-T82 VanDerWaalsContact C-N 3.25Å; S80-T82 PolarHBondContact O-N 3.35Å; S80-I83 PolarHBondContact O-N 3.08Å; S80-V84 WeakPolarHBondContact O-CG2 3.43Å; S80-V84 PolarHBondContact O-N 3.41Å |
| 81 | A | 96.8 | Very high | 94.1 | Very high | 44 Ų | 44 | 66.4 Ų | 66.4 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.2 | -38 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | L46 T77 V78 V84 Y85 | L46-A81 HydrophobicContact CD1-CB 3.99Å; T77-A81 WeakPolarHBondContact O-CB 3.27Å; T77-A81 PolarHBondContact O-N 3.01Å; V78-A81 PolarHBondContact O-N 2.87Å; A81-V84 PolarHBondContact O-N 3.46Å; A81-Y85 WeakPolarHBondContact O-CB 3.49Å; A81-Y85 PolarHBondContact O-N 2.91Å |
| 82 | T | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -69.2 | -38.8 | 175.6 | -65.6 | 0 | 0 | 0 | 0 | 112.8 | F41 A43 L46 F49 V57 V78 T79 S80 Y85 H86 | F41-T82 WeakPolarHBondContact O-CG2 3.32Å; A43-T82 HydrophobicContact CB-CG2 4.39Å; L46-T82 VanDerWaalsContact CD1-OG1 3.3Å; L46-T82 WeakPolarHBondContact CD1-OG1 3.35Å; F49-T82 HydrophobicContact CE2-CG2 3.79Å; F49-T82 HydrophobicContact CZ-CG2 3.94Å; F49-T82 WeakPolarHBondContact CZ-OG1 3.49Å; V57-T82 HydrophobicContact CG1-CG2 4.25Å; V57-T82 HydrophobicContact CG2-CG2 3.93Å; V78-T82 PolarHBondContact O-N 2.99Å; V78-T82 PolarHBondContact O-OG1 3.28Å; T79-T82 WeakPolarHBondContact O-CB 3.49Å; T79-T82 PolarHBondContact O-N 3.32Å; S80-T82 VanDerWaalsContact C-N 3.25Å; S80-T82 PolarHBondContact O-N 3.35Å; T82-Y85 WeakPolarHBondContact O-CB 3.47Å; T82-Y85 PolarHBondContact O-N 2.89Å; T82-H86 PolarHBondContact O-CD2 3.32Å; T82-H86 PolarHBondContact O-N 3.19Å; T82-H86 VanDerWaalsContact O-N 3.08Å |
| 83 | I | 96.9 | Very high | 90.2 | Very high | 13 Ų | 13 | 70 Ų | 70 | 7% | 0.067 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -59.6 | -50.5 | 173.2 | -71.5 | 158.4 | 0 | 0 | 0 | 110.1 | V57 V60 I68 T79 S80 Y85 H86 L87 | V57-I83 HydrophobicContact CB-CG1 4.4Å; V57-I83 HydrophobicContact CG1-CG1 4.28Å; V57-I83 HydrophobicContact CG2-CG1 4.11Å; V60-I83 HydrophobicContact CB-CD1 4.13Å; V60-I83 HydrophobicContact CB-CG1 4.37Å; V60-I83 HydrophobicContact CG1-CD1 4.04Å; V60-I83 HydrophobicContact CG1-CG1 4.23Å; V60-I83 HydrophobicContact CG1-CG2 3.68Å; V60-I83 HydrophobicContact CG2-CD1 3.98Å; I68-I83 HydrophobicContact CD1-CD1 3.42Å; I68-I83 VanDerWaalsContact CD1-CD1 3.42Å; T79-I83 HydrophobicContact CG2-CD1 4.21Å; T79-I83 WeakPolarHBondContact O-CG1 3.3Å; T79-I83 PolarHBondContact O-N 2.78Å; S80-I83 PolarHBondContact O-N 3.08Å; I83-Y85 VanDerWaalsContact C-N 3.32Å; I83-Y85 PolarHBondContact O-N 2.86Å; I83-H86 PolarHBondContact O-N 3.35Å; I83-L87 HydrophobicContact CG2-CD1 3.77Å; I83-L87 HydrophobicContact CG2-CG 4.32Å; I83-L87 WeakPolarHBondContact O-CG 3.46Å; I83-L87 PolarHBondContact O-N 2.75Å |
| 84 | V | 96.1 | Very high | 90 | Very high | 95 Ų | 95 | 69.2 Ų | 69.2 | 58% | 0.576 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60.3 | -43.1 | 178.6 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | S80 A81 H86 L87 A88 | S80-V84 WeakPolarHBondContact O-CG2 3.43Å; S80-V84 PolarHBondContact O-N 3.41Å; A81-V84 PolarHBondContact O-N 3.46Å; V84-H86 VanDerWaalsContact C-N 3.33Å; V84-H86 PolarHBondContact O-N 2.65Å; V84-L87 PolarHBondContact O-N 3.45Å; V84-A88 WeakPolarHBondContact O-CB 3.39Å; V84-A88 PolarHBondContact O-N 2.97Å |
| 85 | Y | 95.6 | Very high | 89.7 | Confident | 81 Ų | 81 | 69.6 Ų | 69.6 | 32% | 0.318 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -55 | -46.7 | 175.9 | 172.7 | -92.1 | 0 | 0 | 0 | 112.2 | A43 A81 T82 I83 R89 | A43-Y85 HydrophobicContact CB-CD1 3.57Å; A43-Y85 HydrophobicContact CB-CD2 4.1Å; A43-Y85 HydrophobicContact CB-CE1 4.02Å; A43-Y85 HydrophobicContact CB-CE2 4.49Å; A43-Y85 HydrophobicContact CB-CG 3.62Å; A81-Y85 WeakPolarHBondContact O-CB 3.49Å; A81-Y85 PolarHBondContact O-N 2.91Å; T82-Y85 WeakPolarHBondContact O-CB 3.47Å; T82-Y85 PolarHBondContact O-N 2.89Å; I83-Y85 VanDerWaalsContact C-N 3.32Å; I83-Y85 PolarHBondContact O-N 2.86Å; Y85-R89 VanDerWaalsContact CE1-CD 3.5Å; Y85-R89 VanDerWaalsContact CZ-CD 3.41Å; Y85-R89 VanDerWaalsContact O-CG 3.32Å; Y85-R89 WeakPolarHBondContact O-CG 3.36Å; Y85-R89 PolarHBondContact O-N 2.89Å |
| 86 | H | 95.3 | Very high | 89.3 | Confident | 14 Ų | 14 | 72.3 Ų | 72.3 | 7% | 0.065 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -72.3 | -40.3 | 179.7 | -69.7 | -55.6 | 0 | 0 | 0 | 112.5 | F41 L61 T82 I83 V84 A88 R89 Q90 | F41-H86 PolarHBondContact O-NE2 3.09Å; L61-H86 HydrophobicContact CD1-CB 4Å; L61-H86 HydrophobicContact CD2-CB 4Å; T82-H86 PolarHBondContact O-CD2 3.32Å; T82-H86 PolarHBondContact O-N 3.19Å; T82-H86 VanDerWaalsContact O-N 3.08Å; I83-H86 PolarHBondContact O-N 3.35Å; V84-H86 VanDerWaalsContact C-N 3.33Å; V84-H86 PolarHBondContact O-N 2.65Å; H86-A88 PolarHBondContact O-N 3.27Å; H86-R89 PolarHBondContact O-N 3.17Å; H86-Q90 WeakPolarHBondContact O-CG 3.39Å; H86-Q90 PolarHBondContact O-N 3.19Å |
| 87 | L | 94.7 | Very high | 88.9 | Confident | 85 Ų | 85 | 71.5 Ų | 71.5 | 45% | 0.445 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 176.5 | -72.5 | 173.6 | 0 | 0 | 0 | 111.7 | L61 I83 V84 R89 Q90 | L61-L87 HydrophobicContact CD2-CD2 3.78Å; L61-L87 HydrophobicContact CD2-CG 3.96Å; I83-L87 HydrophobicContact CG2-CD1 3.77Å; I83-L87 HydrophobicContact CG2-CG 4.32Å; I83-L87 WeakPolarHBondContact O-CG 3.46Å; I83-L87 PolarHBondContact O-N 2.75Å; V84-L87 PolarHBondContact O-N 3.45Å; L87-R89 PolarHBondContact O-N 3.16Å; L87-Q90 PolarHBondContact O-N 3.2Å; L87-Q90 VanDerWaalsContact O-N 3.12Å |
| 88 | A | 93.7 | Very high | 88.4 | Confident | 80 Ų | 80 | 68.5 Ų | 68.5 | 66% | 0.661 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60.8 | -28 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | V84 H86 | V84-A88 WeakPolarHBondContact O-CB 3.39Å; V84-A88 PolarHBondContact O-N 2.97Å; H86-A88 PolarHBondContact O-N 3.27Å |
| 89 | R | 91.8 | Very high | 87.9 | Confident | 175 Ų | 175 | 70.2 Ų | 70.2 | 66% | 0.66 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -87.9 | -9.7 | -180 | -68.8 | 176.1 | 63 | 76.5 | 4.8 | 114.2 | Y85 H86 L87 G91 | Y85-R89 VanDerWaalsContact CE1-CD 3.5Å; Y85-R89 VanDerWaalsContact CZ-CD 3.41Å; Y85-R89 VanDerWaalsContact O-CG 3.32Å; Y85-R89 WeakPolarHBondContact O-CG 3.36Å; Y85-R89 PolarHBondContact O-N 2.89Å; H86-R89 PolarHBondContact O-N 3.17Å; L87-R89 PolarHBondContact O-N 3.16Å; R89-G91 VanDerWaalsContact C-N 3.27Å |
| 90 | Q | 87.3 | Confident | 87.2 | Confident | 52 Ų | 52 | 74.9 Ų | 74.9 | 24% | 0.243 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -14.5 | 175.1 | -72.1 | 179.8 | 9.7 | 0 | 0 | 112.6 | H86 L87 N92 | H86-Q90 WeakPolarHBondContact O-CG 3.39Å; H86-Q90 PolarHBondContact O-N 3.19Å; L87-Q90 PolarHBondContact O-N 3.2Å; L87-Q90 VanDerWaalsContact O-N 3.12Å; Q90-N92 PolarHBondContact O-N 3.5Å |
| 91 | G | 68.8 | Low | 86.4 | Confident | 63 Ų | 63 | 76.3 Ų | 76.3 | 65% | 0.649 | 49% | 0.486 | S | S | * | . | trans | 68.7 | 15.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R89 G93 | R89-G91 VanDerWaalsContact C-N 3.27Å; G91-G93 VanDerWaalsContact C-N 3.26Å; G91-G93 PolarHBondContact O-N 3.38Å | ||
| 92 | N | 63.1 | Low | 85.6 | Confident | 145 Ų | 145 | 79 Ų | 79 | 78% | 0.775 | 50% | 0.496 | S | S | * | . | trans | -92.2 | 32.7 | 178.5 | -67.8 | -22.6 | 0 | 0 | 0 | 112.6 | Q90 | Q90-N92 PolarHBondContact O-N 3.5Š| ||
| 93 | G | 46.6 | Very low | 84.5 | Confident | 145 Ų | 145 | 86.2 Ų | 86.2 | 100% | 1.495 | 54% | 0.541 | S | S | * | . | trans | -97.1 | 0 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G91 | G91-G93 VanDerWaalsContact C-N 3.26Å; G91-G93 PolarHBondContact O-N 3.38Å |
Retrieved 93 of 93 residues in 56.5 ms
(Link to these results)