| 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 | I | 54.4 | Low | 61.5 | Low | 132 Ų | 132 | 101.6 Ų | 101.6 | 68% | 0.677 | 51% | 0.513 | S | S | * | . | 0 | 106.9 | 0 | -66.4 | 171.1 | 0 | 0 | 0 | 104.6 | N39 Q41 | I1-N39 PolarHBondContact N-OD1 3.08Å; I1-Q41 WeakPolarHBondContact O-CA 3.28Å | |||
| 2 | L | 60.4 | Low | 62.1 | Low | 75 Ų | 75 | 106.9 Ų | 106.9 | 39% | 0.393 | 52% | 0.524 | S | S | . | . | trans | -88.1 | 106.6 | -176.4 | 173.9 | 69.7 | 0 | 0 | 0 | 107.6 | I4 L42 | L2-I4 HydrophobicContact CD1-CG1 4.31Å; L2-I4 HydrophobicContact CD2-CD1 4.07Å; L2-I4 HydrophobicContact CD2-CG1 4.3Å; L2-I4 HydrophobicContact CG-CD1 4.29Å; L2-I4 HydrophobicContact CG-CG1 3.95Å; L2-L42 CarbonylContact C-O 3.51Å; L2-L42 WeakPolarHBondContact CA-O 3.41Å; L2-L42 VanDerWaalsContact CD1-C 3.45Å; L2-L42 HydrophobicContact CD1-CB 3.2Å; L2-L42 HydrophobicContact CD1-CD1 3.51Å; L2-L42 HydrophobicContact CD1-CG 3.6Å; L2-L42 WeakPolarHBondContact CD1-O 3.47Å | ||
| 3 | S | 55.8 | Low | 62.5 | Low | 54 Ų | 54 | 106.3 Ų | 106.3 | 38% | 0.378 | 54% | 0.537 | S | S | . | . | trans | -103.9 | 93.1 | -178.3 | -65.2 | 0 | 0 | 0 | 0 | 109.4 | W5 L42 A43 | S3-W5 PolarHBondContact O-N 3.2Å; S3-L42 PolarHBondContact N-O 3.11Å; S3-A43 WeakPolarHBondContact O-CA 3.41Å; S3-A43 VanDerWaalsContact O-CB 3.25Å; S3-A43 WeakPolarHBondContact O-CB 3.43Å | ||
| 4 | I | 63 | Low | 62.9 | Low | 39 Ų | 39 | 106.4 Ų | 106.4 | 20% | 0.2 | 54% | 0.539 | C | S | . | . | trans | -82 | 108.3 | 178.3 | -54.4 | 177.8 | 0 | 0 | 0 | 109.1 | L2 R6 P7 L11 L15 A44 | L2-I4 HydrophobicContact CD1-CG1 4.31Å; L2-I4 HydrophobicContact CD2-CD1 4.07Å; L2-I4 HydrophobicContact CD2-CG1 4.3Å; L2-I4 HydrophobicContact CG-CD1 4.29Å; L2-I4 HydrophobicContact CG-CG1 3.95Å; I4-R6 PolarHBondContact O-N 3.22Å; I4-P7 HydrophobicContact CB-CG 3.98Å; I4-P7 HydrophobicContact CG2-CB 3.85Å; I4-P7 HydrophobicContact CG2-CG 3.63Å; I4-L11 HydrophobicContact CD1-CD2 3.77Å; I4-L11 HydrophobicContact CG2-CD2 4.15Å; I4-L15 HydrophobicContact CD1-CD1 3.58Å; I4-A44 HydrophobicContact CB-CB 4.3Å; I4-A44 HydrophobicContact CD1-CB 4.5Å; I4-A44 HydrophobicContact CG1-CB 4.14Å; I4-A44 HydrophobicContact CG2-CB 3.48Å; I4-A44 VanDerWaalsContact CG2-CB 3.48Å | ||
| 5 | W | 58.6 | Low | 63.4 | Low | 207 Ų | 207 | 103.2 Ų | 103.2 | 78% | 0.784 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -79.1 | 117.3 | 173.1 | -81.5 | 89.1 | 0 | 0 | 0 | 110 | S3 | S3-W5 PolarHBondContact O-N 3.2Š|
| 6 | R | 55.3 | Low | 63.6 | Low | 231 Ų | 231 | 100.4 Ų | 100.4 | 87% | 0.872 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 57.5 | 67.8 | -176.6 | -48.5 | -159.7 | 83.9 | 112.8 | 4.7 | 114.1 | I4 | I4-R6 PolarHBondContact O-N 3.22Š|
| 7 | P | 62.6 | Low | 63.8 | Low | 36 Ų | 36 | 106.3 Ų | 106.3 | 23% | 0.234 | 54% | 0.538 | C | S | . | . | trans | -62.7 | 139.3 | 173.1 | -11 | 26.6 | 0 | 0 | 0 | 110 | I4 L11 Y12 | I4-P7 HydrophobicContact CB-CG 3.98Å; I4-P7 HydrophobicContact CG2-CB 3.85Å; I4-P7 HydrophobicContact CG2-CG 3.63Å; P7-L11 HydrophobicContact CB-CD2 4.23Å; P7-Y12 HydrophobicContact CB-CD2 3.67Å; P7-Y12 HydrophobicContact CB-CE2 3.48Å; P7-Y12 VanDerWaalsContact CB-CE2 3.48Å; P7-Y12 HydrophobicContact CG-CD2 4.05Å; P7-Y12 HydrophobicContact CG-CE2 3.31Å | ||
| 8 | S | 66.4 | Low | 63.8 | Low | 70 Ų | 70 | 105.1 Ų | 105.1 | 49% | 0.49 | 56% | 0.557 | S | S | . | * | trans | -64.4 | 147.2 | 164 | -163.1 | 0 | 0 | 0 | 0 | 108.8 | D10 L11 Y12 | S8-D10 PolarHBondContact O-N 2.98Å; S8-D10 PolarHBondContact OG-OD2 2.87Å; S8-D10 VanDerWaalsContact OG-OD2 3.08Å; S8-L11 WeakPolarHBondContact O-CA 3.46Å; S8-L11 WeakPolarHBondContact O-CB 3.3Å; S8-L11 PolarHBondContact O-N 3.34Å; S8-Y12 PolarHBondContact O-N 3.18Å | ||
| 9 | S | 68 | Low | 63.8 | Low | 94 Ų | 94 | 107.1 Ų | 107.1 | 66% | 0.657 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -54.9 | -37.5 | 178.8 | -49.1 | 0 | 0 | 0 | 0 | 112.1 | L11 Y12 S13 | S9-L11 PolarHBondContact O-N 3.45Å; S9-Y12 PolarHBondContact O-N 2.89Å; S9-S13 PolarHBondContact O-N 3.27Å |
| 10 | D | 64.9 | Low | 64.1 | Low | 123 Ų | 123 | 114.7 Ų | 114.7 | 66% | 0.658 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.6 | -31.3 | 176.5 | -44.3 | -74.7 | 0 | 0 | 0 | 112.5 | S8 L14 | S8-D10 PolarHBondContact O-N 2.98Å; S8-D10 PolarHBondContact OG-OD2 2.87Å; S8-D10 VanDerWaalsContact OG-OD2 3.08Å; D10-L14 VanDerWaalsContact O-CB 3.28Å; D10-L14 WeakPolarHBondContact O-CB 3.22Å; D10-L14 PolarHBondContact O-N 3.36Å |
| 11 | L | 67.3 | Low | 64.4 | Low | 57 Ų | 57 | 113.1 Ų | 113.1 | 30% | 0.298 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -73.7 | -35.7 | 179.5 | -159.4 | 80.9 | 0 | 0 | 0 | 111.3 | I4 P7 S8 S9 L14 L15 | I4-L11 HydrophobicContact CD1-CD2 3.77Å; I4-L11 HydrophobicContact CG2-CD2 4.15Å; P7-L11 HydrophobicContact CB-CD2 4.23Å; S8-L11 WeakPolarHBondContact O-CA 3.46Å; S8-L11 WeakPolarHBondContact O-CB 3.3Å; S8-L11 PolarHBondContact O-N 3.34Å; S9-L11 PolarHBondContact O-N 3.45Å; L11-L14 PolarHBondContact O-N 3.35Å; L11-L15 HydrophobicContact CD1-CD1 4.46Å; L11-L15 HydrophobicContact CD2-CD1 3.95Å; L11-L15 HydrophobicContact CG-CD1 3.75Å; L11-L15 HydrophobicContact CG-CG 4.25Å; L11-L15 VanDerWaalsContact O-CB 3.28Å; L11-L15 WeakPolarHBondContact O-CB 3.28Å; L11-L15 VanDerWaalsContact O-CG 3.3Å; L11-L15 WeakPolarHBondContact O-CG 3.42Å; L11-L15 PolarHBondContact O-N 3.16Å |
| 12 | Y | 68.6 | Low | 64.8 | Low | 165 Ų | 165 | 116.4 Ų | 116.4 | 65% | 0.647 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.2 | -41.3 | 173.3 | -92.5 | -70.8 | 0 | 0 | 0 | 111.8 | P7 S8 S9 L14 | P7-Y12 HydrophobicContact CB-CD2 3.67Å; P7-Y12 HydrophobicContact CB-CE2 3.48Å; P7-Y12 VanDerWaalsContact CB-CE2 3.48Å; P7-Y12 HydrophobicContact CG-CD2 4.05Å; P7-Y12 HydrophobicContact CG-CE2 3.31Å; S8-Y12 PolarHBondContact O-N 3.18Å; S9-Y12 PolarHBondContact O-N 2.89Å; Y12-L14 VanDerWaalsContact C-N 3.31Å |
| 13 | S | 67.6 | Low | 65.2 | Low | 99 Ų | 99 | 117 Ų | 117 | 69% | 0.692 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.7 | -33.1 | 174.5 | -67.4 | 0 | 0 | 0 | 0 | 112.4 | S9 | S9-S13 PolarHBondContact O-N 3.27Å |
| 14 | L | 68.3 | Low | 65.3 | Low | 108 Ų | 108 | 121.3 Ų | 121.3 | 57% | 0.565 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -77.2 | -38.4 | 179.9 | -173 | 63.1 | 0 | 0 | 0 | 112.6 | D10 L11 Y12 T16 Y21 | D10-L14 VanDerWaalsContact O-CB 3.28Å; D10-L14 WeakPolarHBondContact O-CB 3.22Å; D10-L14 PolarHBondContact O-N 3.36Å; L11-L14 PolarHBondContact O-N 3.35Å; Y12-L14 VanDerWaalsContact C-N 3.31Å; L14-T16 PolarHBondContact O-N 3.03Å; L14-Y21 WeakPolarHBondContact O-CE1 3.35Å; L14-Y21 PolarHBondContact O-OH 3.08Å |
| 15 | L | 69.5 | Low | 65.1 | Low | 58 Ų | 58 | 128.6 Ų | 128.6 | 30% | 0.304 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -88.6 | 76.7 | -178.9 | -65.4 | 174.9 | 0 | 0 | 0 | 110.7 | I4 L11 Y21 | I4-L15 HydrophobicContact CD1-CD1 3.58Å; L11-L15 HydrophobicContact CD1-CD1 4.46Å; L11-L15 HydrophobicContact CD2-CD1 3.95Å; L11-L15 HydrophobicContact CG-CD1 3.75Å; L11-L15 HydrophobicContact CG-CG 4.25Å; L11-L15 VanDerWaalsContact O-CB 3.28Å; L11-L15 WeakPolarHBondContact O-CB 3.28Å; L11-L15 VanDerWaalsContact O-CG 3.3Å; L11-L15 WeakPolarHBondContact O-CG 3.42Å; L11-L15 PolarHBondContact O-N 3.16Å; L15-Y21 HydrophobicContact CD2-CD2 3.99Å; L15-Y21 HydrophobicContact CD2-CE2 4.34Å; L15-Y21 HydrophobicContact CD2-CG 4.19Å |
| 16 | T | 67.4 | Low | 65.1 | Low | 58 Ų | 58 | 121.8 Ų | 121.8 | 36% | 0.356 | 60% | 0.596 | S | S | . | * | trans | -83.7 | 142 | 173.5 | 60.7 | 0 | 0 | 0 | 0 | 111 | L14 K19 Y21 | L14-T16 PolarHBondContact O-N 3.03Å; T16-K19 WeakPolarHBondContact OG1-CD 3.45Å; T16-Y21 PolarHBondContact N-OH 2.62Å; T16-Y21 VanDerWaalsContact N-OH 3.09Å; T16-Y21 PolarHBondContact OG1-OH 2.85Å | ||
| 17 | E | 66.1 | Low | 65 | Low | 201 Ų | 201 | 114.3 Ų | 114.3 | 94% | 0.939 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 140.5 | 173.8 | -167.6 | 174 | 178.9 | 0 | 0 | 111.1 | ||
| 18 | G | 64.5 | Low | 64.3 | Low | 85 Ų | 85 | 119.1 Ų | 119.1 | 88% | 0.876 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.6 | 1.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 19 | K | 64.1 | Low | 63.3 | Low | 143 Ų | 143 | 120.5 Ų | 120.5 | 62% | 0.622 | 62% | 0.621 | S | S | * | * | trans | -107.5 | 145.9 | 174.9 | -67.1 | -167 | -172.2 | 173.4 | 0 | 112.8 | T16 Y21 | T16-K19 WeakPolarHBondContact OG1-CD 3.45Å; K19-Y21 HydrophobicContact CB-CD2 4.32Å; K19-Y21 HydrophobicContact CB-CE1 4.41Å; K19-Y21 HydrophobicContact CB-CE2 3.47Å; K19-Y21 VanDerWaalsContact CB-CE2 3.47Å; K19-Y21 WeakPolarHBondContact CB-OH 3.25Å; K19-Y21 WeakPolarHBondContact O-CD2 3.14Å | ||
| 20 | R | 70.2 | Confident | 62.2 | Low | 258 Ų | 258 | 125.6 Ų | 125.6 | 97% | 0.974 | 63% | 0.632 | S | S | * | * | trans | -92.8 | 113.2 | 176 | -75.6 | 179.6 | 176.9 | 161.1 | -0.4 | 110 | ||||
| 21 | Y | 68.6 | Low | 61.2 | Low | 83 Ų | 83 | 122.7 Ų | 122.7 | 33% | 0.325 | 62% | 0.621 | S | S | . | * | trans | -106.8 | 134.4 | 177.4 | -58.3 | -85 | 0 | 0 | 0 | 111.1 | L14 L15 T16 K19 | L14-Y21 WeakPolarHBondContact O-CE1 3.35Å; L14-Y21 PolarHBondContact O-OH 3.08Å; L15-Y21 HydrophobicContact CD2-CD2 3.99Å; L15-Y21 HydrophobicContact CD2-CE2 4.34Å; L15-Y21 HydrophobicContact CD2-CG 4.19Å; T16-Y21 PolarHBondContact N-OH 2.62Å; T16-Y21 VanDerWaalsContact N-OH 3.09Å; T16-Y21 PolarHBondContact OG1-OH 2.85Å; K19-Y21 HydrophobicContact CB-CD2 4.32Å; K19-Y21 HydrophobicContact CB-CE1 4.41Å; K19-Y21 HydrophobicContact CB-CE2 3.47Å; K19-Y21 VanDerWaalsContact CB-CE2 3.47Å; K19-Y21 WeakPolarHBondContact CB-OH 3.25Å; K19-Y21 WeakPolarHBondContact O-CD2 3.14Å | ||
| 22 | R | 63.6 | Low | 60 | Low | 200 Ų | 200 | 130.5 Ų | 130.5 | 76% | 0.755 | 65% | 0.653 | S | S | * | * | trans | -89.4 | 104.1 | 167.6 | -106.1 | 164.4 | 71.2 | 163.6 | -3.8 | 108.2 | Y24 | R22-Y24 HydrophobicContact CB-CE2 3.96Å; R22-Y24 PolarHBondContact NE-OH 3.09Å; R22-Y24 PolarHBondContact NH2-OH 3.23Å; R22-Y24 WeakPolarHBondContact O-CD2 3.2Å; R22-Y24 WeakPolarHBondContact O-CE2 3.47Å | ||
| 23 | I | 69.3 | Low | 58.8 | Low | 88 Ų | 88 | 124.7 Ų | 124.7 | 45% | 0.451 | 64% | 0.636 | S | S | . | * | trans | -86.7 | 122.3 | 177.1 | -53.5 | 172.1 | 0 | 0 | 0 | 108.2 | L26 | I23-L26 HydrophobicContact CG2-CD1 3.66Š| ||
| 24 | Y | 58.6 | Low | 57.7 | Low | 144 Ų | 144 | 130.6 Ų | 130.6 | 57% | 0.565 | 65% | 0.649 | S | S | * | * | trans | -103.6 | 146.1 | 177.3 | -58.4 | -80.2 | 0 | 0 | 0 | 110.1 | R22 | R22-Y24 HydrophobicContact CB-CE2 3.96Å; R22-Y24 PolarHBondContact NE-OH 3.09Å; R22-Y24 PolarHBondContact NH2-OH 3.23Å; R22-Y24 WeakPolarHBondContact O-CD2 3.2Å; R22-Y24 WeakPolarHBondContact O-CE2 3.47Å | ||
| 25 | H | 57 | Low | 56.4 | Low | 193 Ų | 193 | 130 Ų | 130 | 89% | 0.894 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 63 | 47.7 | 180 | -46.4 | 147 | 0 | 0 | 0 | 114.9 | A27 | H25-A27 PolarHBondContact O-N 2.95Š|
| 26 | L | 59.1 | Low | 55.2 | Low | 64 Ų | 64 | 136.5 Ų | 136.5 | 34% | 0.335 | 68% | 0.683 | S | S | . | * | trans | -74.5 | 117.6 | 171.3 | -149.8 | 79.7 | 0 | 0 | 0 | 109.6 | I23 T28 L42 | I23-L26 HydrophobicContact CG2-CD1 3.66Å; L26-T28 PolarHBondContact O-N 2.85Å; L26-L42 HydrophobicContact CD1-CB 4.1Å; L26-L42 HydrophobicContact CD2-CB 3.49Å; L26-L42 VanDerWaalsContact CD2-CB 3.49Å; L26-L42 HydrophobicContact CD2-CD1 3.8Å; L26-L42 HydrophobicContact CD2-CD2 3.23Å; L26-L42 HydrophobicContact CD2-CG 3.64Å; L26-L42 HydrophobicContact CG-CB 4.12Å | ||
| 27 | A | 53.3 | Low | 54.1 | Low | 74 Ų | 74 | 144.4 Ų | 144.4 | 61% | 0.612 | 71% | 0.706 | S | S | * | * | trans | -61.6 | 112.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | H25 S29 | H25-A27 PolarHBondContact O-N 2.95Å; A27-S29 VanDerWaalsContact C-N 3.27Å; A27-S29 PolarHBondContact O-N 3.35Å | ||
| 28 | T | 47.9 | Very low | 53.2 | Low | 137 Ų | 137 | 139.5 Ų | 139.5 | 84% | 0.84 | 70% | 0.7 | S | S | * | * | trans | -73.5 | 80.5 | -178.5 | 54 | 0 | 0 | 0 | 0 | 110 | L26 K30 | L26-T28 PolarHBondContact O-N 2.85Å; T28-K30 PolarHBondContact O-N 3.4Å | ||
| 29 | S | 45.8 | Very low | 52.2 | Low | 98 Ų | 98 | 139 Ų | 139 | 69% | 0.685 | 68% | 0.677 | S | S | * | * | trans | -74.9 | 112.7 | 164.7 | 170.9 | 0 | 0 | 0 | 0 | 108.1 | A27 S31 | A27-S29 VanDerWaalsContact C-N 3.27Å; A27-S29 PolarHBondContact O-N 3.35Å; S29-S31 PolarHBondContact O-N 3.41Å; S29-S31 VanDerWaalsContact O-N 3.15Å | ||
| 30 | K | 43.7 | Very low | 51.3 | Low | 202 Ų | 202 | 137.8 Ų | 137.8 | 88% | 0.878 | 68% | 0.676 | S | S | * | * | trans | -52.8 | 120.7 | 176.6 | -75.2 | -165.4 | -179.7 | -178 | 0 | 109.9 | T28 K32 | T28-K30 PolarHBondContact O-N 3.4Å; K30-K32 PolarHBondContact O-N 2.59Å | ||
| 31 | S | 43.9 | Very low | 50.3 | Low | 62 Ų | 62 | 129.6 Ų | 129.6 | 43% | 0.434 | 65% | 0.649 | S | S | . | * | trans | -70.3 | 121.4 | 176.9 | 50 | 0 | 0 | 0 | 0 | 110.4 | S29 S33 | S29-S31 PolarHBondContact O-N 3.41Å; S29-S31 VanDerWaalsContact O-N 3.15Å; S31-S33 VanDerWaalsContact C-N 3.32Å; S31-S33 PolarHBondContact O-N 2.94Å | ||
| 32 | K | 43.9 | Very low | 49.5 | Very low | 221 Ų | 221 | 127.7 Ų | 127.7 | 96% | 0.961 | 64% | 0.644 | S | S | * | * | trans | -93.3 | 65.4 | 169.8 | -152.6 | -177.3 | -167.1 | -178 | 0 | 108.5 | K30 | K30-K32 PolarHBondContact O-N 2.59Š| ||
| 33 | S | 42.1 | Very low | 48.7 | Very low | 42 Ų | 42 | 120.2 Ų | 120.2 | 29% | 0.294 | 63% | 0.625 | S | S | . | * | trans | -133.7 | 103 | 172.6 | 58.2 | 0 | 0 | 0 | 0 | 109.9 | S31 S35 Q41 | S31-S33 VanDerWaalsContact C-N 3.32Å; S31-S33 PolarHBondContact O-N 2.94Å; S33-S35 VanDerWaalsContact C-N 3.25Å; S33-S35 PolarHBondContact O-N 3.18Å; S33-Q41 PolarHBondContact OG-NE2 3.15Å | ||
| 34 | K | 45.7 | Very low | 47.6 | Very low | 224 Ų | 224 | 118 Ų | 118 | 97% | 0.974 | 62% | 0.62 | S | S | * | * | trans | -59.7 | 88.3 | 163.3 | -76.5 | -179.3 | 173.7 | -176.2 | 0 | 107.9 | ||||
| 35 | S | 40.5 | Very low | 47 | Very low | 94 Ų | 94 | 116.3 Ų | 116.3 | 66% | 0.657 | 63% | 0.625 | S | S | * | * | trans | -153.9 | 126.1 | 164.3 | -166.5 | 0 | 0 | 0 | 0 | 109.4 | S33 R37 | S33-S35 VanDerWaalsContact C-N 3.25Å; S33-S35 PolarHBondContact O-N 3.18Å; S35-R37 PolarHBondContact O-N 2.83Å | ||
| 36 | E | 44.4 | Very low | 46.4 | Very low | 195 Ų | 195 | 116.1 Ų | 116.1 | 91% | 0.911 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -67.9 | 51.8 | -166.5 | -173.3 | 167 | 72.9 | 0 | 0 | 114.5 | ||
| 37 | R | 44.1 | Very low | 45.7 | Very low | 224 Ų | 224 | 121.9 Ų | 121.9 | 85% | 0.845 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -174.6 | 98.2 | 162.6 | -113.7 | 171.2 | -167.8 | 178.7 | 4.5 | 106.9 | S35 N39 | S35-R37 PolarHBondContact O-N 2.83Å; R37-N39 WeakPolarHBondContact O-CA 2.94Å; R37-N39 WeakPolarHBondContact O-CB 3.32Å; R37-N39 PolarHBondContact O-N 2.77Å |
| 38 | A | 48 | Very low | 45.1 | Very low | 99 Ų | 99 | 125.1 Ų | 125.1 | 82% | 0.818 | 65% | 0.651 | S | S | * | * | trans | -5.7 | 68.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | I40 | A38-I40 VanDerWaalsContact C-N 3.3Å; A38-I40 PolarHBondContact O-N 3.06Å; A38-I40 VanDerWaalsContact O-N 3.11Å | ||
| 39 | N | 41.6 | Very low | 44.8 | Very low | 74 Ų | 74 | 123 Ų | 123 | 40% | 0.396 | 64% | 0.642 | S | S | . | * | trans | -93.5 | 81 | -177.6 | -146 | -78.4 | 0 | 0 | 0 | 104.8 | I1 R37 Q41 | I1-N39 PolarHBondContact N-OD1 3.08Å; R37-N39 WeakPolarHBondContact O-CA 2.94Å; R37-N39 WeakPolarHBondContact O-CB 3.32Å; R37-N39 PolarHBondContact O-N 2.77Å; N39-Q41 PolarHBondContact O-N 3.38Å | ||
| 40 | I | 46.9 | Very low | 44.7 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 60% | 0.6 | 65% | 0.647 | S | S | * | * | trans | -64.5 | 104.8 | -177.8 | -42.9 | 179.1 | 0 | 0 | 0 | 106.5 | A38 L42 | A38-I40 VanDerWaalsContact C-N 3.3Å; A38-I40 PolarHBondContact O-N 3.06Å; A38-I40 VanDerWaalsContact O-N 3.11Å; I40-L42 HydrophobicContact CB-CD2 3.82Å; I40-L42 HydrophobicContact CG2-CD2 3.23Å; I40-L42 PolarHBondContact O-N 3.35Å | ||
| 41 | Q | 49.3 | Very low | 44.8 | Very low | 86 Ų | 86 | 120.2 Ų | 120.2 | 40% | 0.402 | 64% | 0.642 | S | S | . | * | trans | -81.6 | 109.1 | 174.7 | -66.6 | -175.1 | 36 | 0 | 0 | 107.3 | I1 S33 N39 | I1-Q41 WeakPolarHBondContact O-CA 3.28Å; S33-Q41 PolarHBondContact OG-NE2 3.15Å; N39-Q41 PolarHBondContact O-N 3.38Å | ||
| 42 | L | 51.1 | Low | 44.6 | Very low | 43 Ų | 43 | 123.7 Ų | 123.7 | 23% | 0.225 | 66% | 0.661 | C | S | . | * | trans | -102.9 | 131.9 | 177.4 | -10 | 149.8 | 0 | 0 | 0 | 107.7 | L2 S3 L26 I40 | L2-L42 CarbonylContact C-O 3.51Å; L2-L42 WeakPolarHBondContact CA-O 3.41Å; L2-L42 VanDerWaalsContact CD1-C 3.45Å; L2-L42 HydrophobicContact CD1-CB 3.2Å; L2-L42 HydrophobicContact CD1-CD1 3.51Å; L2-L42 HydrophobicContact CD1-CG 3.6Å; L2-L42 WeakPolarHBondContact CD1-O 3.47Å; S3-L42 PolarHBondContact N-O 3.11Å; L26-L42 HydrophobicContact CD1-CB 4.1Å; L26-L42 HydrophobicContact CD2-CB 3.49Å; L26-L42 VanDerWaalsContact CD2-CB 3.49Å; L26-L42 HydrophobicContact CD2-CD1 3.8Å; L26-L42 HydrophobicContact CD2-CD2 3.23Å; L26-L42 HydrophobicContact CD2-CG 3.64Å; L26-L42 HydrophobicContact CG-CB 4.12Å; I40-L42 HydrophobicContact CB-CD2 3.82Å; I40-L42 HydrophobicContact CG2-CD2 3.23Å; I40-L42 PolarHBondContact O-N 3.35Å | ||
| 43 | A | 47.2 | Very low | 44.3 | Very low | 43 Ų | 43 | 119.3 Ų | 119.3 | 36% | 0.355 | 65% | 0.653 | S | S | . | * | trans | -120.1 | 123.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | S3 T45 | S3-A43 WeakPolarHBondContact O-CA 3.41Å; S3-A43 VanDerWaalsContact O-CB 3.25Å; S3-A43 WeakPolarHBondContact O-CB 3.43Å; A43-T45 PolarHBondContact O-N 2.9Å; A43-T45 VanDerWaalsContact O-N 3.08Å | ||
| 44 | A | 45.5 | Very low | 44.2 | Very low | 41 Ų | 41 | 127.5 Ų | 127.5 | 34% | 0.339 | 70% | 0.701 | S | S | . | * | trans | -81.1 | 89.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109 | I4 | I4-A44 HydrophobicContact CB-CB 4.3Å; I4-A44 HydrophobicContact CD1-CB 4.5Å; I4-A44 HydrophobicContact CG1-CB 4.14Å; I4-A44 HydrophobicContact CG2-CB 3.48Å; I4-A44 VanDerWaalsContact CG2-CB 3.48Å | ||
| 45 | T | 46.9 | Very low | 44.1 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 67% | 0.669 | 69% | 0.687 | S | S | * | * | trans | -87.2 | 115.7 | 165.9 | 11.4 | 0 | 0 | 0 | 0 | 108.9 | A43 K47 | A43-T45 PolarHBondContact O-N 2.9Å; A43-T45 VanDerWaalsContact O-N 3.08Å; T45-K47 PolarHBondContact O-N 2.63Å; T45-K47 VanDerWaalsContact O-N 3.16Å | ||
| 46 | K | 43.3 | Very low | 44.3 | Very low | 190 Ų | 190 | 124.2 Ų | 124.2 | 83% | 0.826 | 69% | 0.689 | S | S | * | * | trans | -49.5 | 116.2 | 167.3 | -179.5 | -176.2 | 173.5 | -170.6 | 0 | 109 | N48 | K46-N48 PolarHBondContact O-N 2.84Š| ||
| 47 | K | 44.1 | Very low | 44.3 | Very low | 185 Ų | 185 | 120.2 Ų | 120.2 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | trans | -60.2 | 101.3 | 177.7 | -179.7 | -175.8 | 162 | -172.9 | 0 | 109.9 | T45 | T45-K47 PolarHBondContact O-N 2.63Å; T45-K47 VanDerWaalsContact O-N 3.16Å | ||
| 48 | N | 40.8 | Very low | 44.3 | Very low | 142 Ų | 142 | 114.1 Ų | 114.1 | 76% | 0.759 | 67% | 0.667 | S | S | * | * | trans | -87.9 | 109.2 | 152.2 | -86.7 | 20.9 | 0 | 0 | 0 | 106.9 | K46 | K46-N48 PolarHBondContact O-N 2.84Š| ||
| 49 | S | 42.4 | Very low | 44.1 | Very low | 92 Ų | 92 | 115.1 Ų | 115.1 | 64% | 0.643 | 66% | 0.657 | S | S | * | * | trans | -64.8 | 121.9 | 167 | 41.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 50 | V | 43.7 | Very low | 44.2 | Very low | 131 Ų | 131 | 117.8 Ų | 117.8 | 79% | 0.794 | 68% | 0.675 | S | S | * | * | trans | -141.4 | 107.1 | 150.2 | 176.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 51 | S | 45.5 | Very low | 44 | Very low | 111 Ų | 111 | 117.9 Ų | 117.9 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | trans | -80.1 | 125.7 | 166 | -39.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 52 | T | 39.1 | Very low | 43.6 | Very low | 134 Ų | 134 | 120.3 Ų | 120.3 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | trans | -160.1 | 118.7 | 141.2 | -18.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 53 | T | 38.5 | Very low | 43 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 80% | 0.798 | 74% | 0.741 | S | S | * | * | trans | -64 | 136.3 | 160.8 | -45.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 54 | T | 39 | Very low | 42.6 | Very low | 213 Ų | 213 | 134.4 Ų | 134.4 | 100% | 1.307 | 78% | 0.776 | S | S | * | * | trans | 177.8 | 0 | 135.2 | -66.5 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 54 of 54 residues in 14.2 ms
(Link to these results)