| 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 | 47.9 | Very low | 68.2 | Low | 250 Ų | 250 | 112.8 Ų | 112.8 | 100% | 1.232 | 62% | 0.619 | S | S | * | * | 0 | 124.3 | 0 | -69.7 | 175.2 | 123.7 | 0 | 0 | 106.5 | |||||
| 2 | S | 57.8 | Low | 67.6 | Low | 84 Ų | 84 | 113.2 Ų | 113.2 | 59% | 0.587 | 62% | 0.618 | S | S | * | * | trans | -88.2 | 117.8 | -153.1 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | K4 D5 | S2-K4 PolarHBondContact O-N 3.33Å; S2-D5 PolarHBondContact O-N 2.81Å | ||
| 3 | S | 73.7 | Confident | 67.7 | Low | 90 Ų | 90 | 113.3 Ų | 113.3 | 63% | 0.629 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.8 | -6.1 | 179.8 | 179.8 | 0 | 0 | 0 | 0 | 117 | ||
| 4 | K | 66.1 | Low | 67.3 | Low | 162 Ų | 162 | 110.5 Ų | 110.5 | 70% | 0.704 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.3 | -29.5 | -179.6 | -71.9 | -174.1 | 174.8 | -179 | 0 | 113.1 | S2 D6 | S2-K4 PolarHBondContact O-N 3.33Å; K4-D6 VanDerWaalsContact C-N 3.33Å |
| 5 | D | 70.7 | Confident | 66.4 | Low | 111 Ų | 111 | 113.5 Ų | 113.5 | 59% | 0.594 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73.8 | -26.5 | -177.6 | -63.4 | -29.9 | 0 | 0 | 0 | 112.5 | S2 R9 | S2-D5 PolarHBondContact O-N 2.81Å; D5-R9 PolarHBondContact O-N 2.59Å |
| 6 | D | 74 | Confident | 65.7 | Low | 91 Ų | 91 | 113.6 Ų | 113.6 | 49% | 0.487 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -75.9 | -38.4 | 177.5 | -74.1 | -28.5 | 0 | 0 | 0 | 112.2 | K4 V8 R9 T10 | K4-D6 VanDerWaalsContact C-N 3.33Å; D6-V8 VanDerWaalsContact C-N 3.32Å; D6-V8 PolarHBondContact O-N 3.04Å; D6-R9 PolarHBondContact O-N 3.12Å; D6-R9 IonicContact OD1-CZ 3.8Å; D6-R9 IonicContact OD1-NH1 2.84Å; D6-R9 PolarHBondContact OD1-NH1 3.13Å; D6-T10 PolarHBondContact O-N 2.94Å; D6-T10 PolarHBondContact O-OG1 2.99Å |
| 7 | V | 74 | Confident | 65.2 | Low | 100 Ų | 100 | 117 Ų | 117 | 61% | 0.606 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -62.5 | -40 | 179.3 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | A11 | V7-A11 WeakPolarHBondContact O-CB 3.45Å; V7-A11 PolarHBondContact O-N 3.22Å; V7-A11 VanDerWaalsContact O-N 3.11Å |
| 8 | V | 72.2 | Confident | 64.6 | Low | 92 Ų | 92 | 116.1 Ų | 116.1 | 56% | 0.558 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.5 | -39 | 178.2 | 179.2 | 0 | 0 | 0 | 0 | 111 | D6 A11 L12 | D6-V8 VanDerWaalsContact C-N 3.32Å; D6-V8 PolarHBondContact O-N 3.04Å; V8-A11 PolarHBondContact O-N 3.05Å; V8-L12 HydrophobicContact CG1-CD1 4.15Å; V8-L12 WeakPolarHBondContact O-CG 3.35Å; V8-L12 PolarHBondContact O-N 3.41Å; V8-L12 VanDerWaalsContact O-N 3.16Å |
| 9 | R | 70.5 | Confident | 63.7 | Low | 124 Ų | 124 | 120.4 Ų | 120.4 | 47% | 0.468 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -66.6 | -45.6 | 178.8 | -161.8 | -178.1 | -56.1 | 114.3 | 10.3 | 111.5 | D5 D6 A11 L12 E13 | D5-R9 PolarHBondContact O-N 2.59Å; D6-R9 PolarHBondContact O-N 3.12Å; D6-R9 IonicContact OD1-CZ 3.8Å; D6-R9 IonicContact OD1-NH1 2.84Å; D6-R9 PolarHBondContact OD1-NH1 3.13Å; R9-A11 VanDerWaalsContact C-N 3.33Å; R9-A11 PolarHBondContact O-N 3.16Å; R9-L12 PolarHBondContact O-N 2.85Å; R9-E13 WeakPolarHBondContact CG-OE1 3.1Å; R9-E13 WeakPolarHBondContact O-CG 3.42Å; R9-E13 PolarHBondContact O-N 2.78Å |
| 10 | T | 73.4 | Confident | 63 | Low | 89 Ų | 89 | 120.5 Ų | 120.5 | 55% | 0.546 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -63.6 | -37.9 | 177.7 | -48.6 | 0 | 0 | 0 | 0 | 112.2 | D6 L12 S14 | D6-T10 PolarHBondContact O-N 2.94Å; D6-T10 PolarHBondContact O-OG1 2.99Å; T10-L12 VanDerWaalsContact C-N 3.35Å; T10-L12 PolarHBondContact O-N 2.97Å; T10-S14 WeakPolarHBondContact O-CB 3.5Å; T10-S14 PolarHBondContact O-N 2.67Å; T10-S14 VanDerWaalsContact O-N 3.12Å; T10-S14 PolarHBondContact O-OG 2.88Å |
| 11 | A | 70.4 | Confident | 62.5 | Low | 48 Ų | 48 | 119.1 Ų | 119.1 | 40% | 0.397 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -62.7 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V7 V8 R9 S14 H15 | V7-A11 WeakPolarHBondContact O-CB 3.45Å; V7-A11 PolarHBondContact O-N 3.22Å; V7-A11 VanDerWaalsContact O-N 3.11Å; V8-A11 PolarHBondContact O-N 3.05Å; R9-A11 VanDerWaalsContact C-N 3.33Å; R9-A11 PolarHBondContact O-N 3.16Å; A11-S14 PolarHBondContact O-OG 3.02Å; A11-H15 PolarHBondContact O-CD2 3.4Å |
| 12 | L | 61 | Low | 62.5 | Low | 117 Ų | 117 | 115.8 Ų | 115.8 | 61% | 0.613 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.9 | -39.8 | 179.8 | -69.9 | 172 | 0 | 0 | 0 | 113 | V8 R9 T10 S14 H15 | V8-L12 HydrophobicContact CG1-CD1 4.15Å; V8-L12 WeakPolarHBondContact O-CG 3.35Å; V8-L12 PolarHBondContact O-N 3.41Å; V8-L12 VanDerWaalsContact O-N 3.16Å; R9-L12 PolarHBondContact O-N 2.85Å; T10-L12 VanDerWaalsContact C-N 3.35Å; T10-L12 PolarHBondContact O-N 2.97Å; L12-S14 VanDerWaalsContact C-N 3.29Å; L12-S14 PolarHBondContact O-N 2.86Å; L12-H15 PolarHBondContact O-N 3.21Å |
| 13 | E | 68.4 | Low | 62.1 | Low | 115 Ų | 115 | 120.9 Ų | 120.9 | 54% | 0.537 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -66 | -32.7 | 177.6 | -72.3 | 171.1 | -178.8 | 0 | 0 | 111.7 | R9 H15 T16 | R9-E13 WeakPolarHBondContact CG-OE1 3.1Å; R9-E13 WeakPolarHBondContact O-CG 3.42Å; R9-E13 PolarHBondContact O-N 2.78Å; E13-H15 VanDerWaalsContact C-N 3.32Å; E13-H15 PolarHBondContact O-N 3.31Å; E13-T16 PolarHBondContact O-N 2.84Å; E13-T16 PolarHBondContact O-OG1 3.47Å |
| 14 | S | 63 | Low | 61 | Low | 74 Ų | 74 | 124.3 Ų | 124.3 | 52% | 0.517 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -69.1 | -25.9 | 177.3 | 72.9 | 0 | 0 | 0 | 0 | 114.4 | T10 A11 L12 | T10-S14 WeakPolarHBondContact O-CB 3.5Å; T10-S14 PolarHBondContact O-N 2.67Å; T10-S14 VanDerWaalsContact O-N 3.12Å; T10-S14 PolarHBondContact O-OG 2.88Å; A11-S14 PolarHBondContact O-OG 3.02Å; L12-S14 VanDerWaalsContact C-N 3.29Å; L12-S14 PolarHBondContact O-N 2.86Å |
| 15 | H | 53 | Low | 60.5 | Low | 155 Ų | 155 | 123.1 Ų | 123.1 | 72% | 0.718 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -84.3 | -15.9 | 179.9 | -79.7 | -63.4 | 0 | 0 | 0 | 113.5 | A11 L12 E13 | A11-H15 PolarHBondContact O-CD2 3.4Å; L12-H15 PolarHBondContact O-N 3.21Å; E13-H15 VanDerWaalsContact C-N 3.32Å; E13-H15 PolarHBondContact O-N 3.31Å |
| 16 | T | 55.9 | Low | 60.2 | Low | 116 Ų | 116 | 122.5 Ų | 122.5 | 71% | 0.712 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -83.6 | -15.5 | 179.5 | 46.6 | 0 | 0 | 0 | 0 | 114.1 | E13 | E13-T16 PolarHBondContact O-N 2.84Å; E13-T16 PolarHBondContact O-OG1 3.47Å |
| 17 | E | 56.1 | Low | 59.4 | Low | 171 Ų | 171 | 122.6 Ų | 122.6 | 80% | 0.799 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -106.5 | 6.9 | -173.7 | -67.9 | -167.5 | 165 | 0 | 0 | 115.3 | ||
| 18 | S | 54.9 | Low | 59.1 | Low | 101 Ų | 101 | 120.7 Ų | 120.7 | 71% | 0.706 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -146.4 | 71.5 | 178.9 | -76.5 | 0 | 0 | 0 | 0 | 113 | ||
| 19 | E | 47.2 | Very low | 58.6 | Low | 197 Ų | 197 | 122 Ų | 122 | 92% | 0.921 | 68% | 0.676 | S | S | * | * | trans | -158.5 | 60.5 | 148.4 | -116.4 | 169.1 | -168 | 0 | 0 | 109.6 | ||||
| 20 | S | 49.5 | Very low | 58.2 | Low | 123 Ų | 123 | 122.3 Ų | 122.3 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | trans | -90.1 | 118 | 158.8 | -74.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 21 | A | 52.3 | Low | 57.9 | Low | 92 Ų | 92 | 122.7 Ų | 122.7 | 76% | 0.76 | 69% | 0.693 | S | S | * | * | trans | 69.8 | 83.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 22 | E | 47.9 | Very low | 57.6 | Low | 179 Ų | 179 | 126.2 Ų | 126.2 | 84% | 0.836 | 71% | 0.705 | S | S | * | * | trans | -139.5 | 104.9 | 131.1 | -67.9 | -162.5 | 167.1 | 0 | 0 | 109.4 | E24 | E22-E24 PolarHBondContact O-N 3.43Š| ||
| 23 | Q | 49.8 | Very low | 57.6 | Low | 192 Ų | 192 | 126.1 Ų | 126.1 | 90% | 0.897 | 70% | 0.704 | S | S | * | * | trans | -76.1 | 68.5 | 178.8 | -133.2 | 172.9 | 11.8 | 0 | 0 | 108.7 | T25 | Q23-T25 PolarHBondContact O-N 2.96Å; Q23-T25 VanDerWaalsContact O-N 3.13Å | ||
| 24 | E | 51.3 | Low | 57.1 | Low | 162 Ų | 162 | 125.7 Ų | 125.7 | 76% | 0.757 | 71% | 0.712 | S | S | * | * | trans | -71.6 | 108.4 | 169.1 | -72.6 | -158.8 | 154.6 | 0 | 0 | 108.4 | E22 S26 | E22-E24 PolarHBondContact O-N 3.43Å; E24-S26 PolarHBondContact O-N 2.91Å | ||
| 25 | T | 56.2 | Low | 56.9 | Low | 137 Ų | 137 | 125.8 Ų | 125.8 | 84% | 0.84 | 73% | 0.725 | S | S | * | * | trans | -72.1 | 69.1 | 173.9 | 41.9 | 0 | 0 | 0 | 0 | 109.3 | Q23 | Q23-T25 PolarHBondContact O-N 2.96Å; Q23-T25 VanDerWaalsContact O-N 3.13Å | ||
| 26 | S | 63.5 | Low | 56.8 | Low | 97 Ų | 97 | 125.4 Ų | 125.4 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 130.9 | 167.4 | 50.1 | 0 | 0 | 0 | 0 | 108.6 | E24 S28 | E24-S26 PolarHBondContact O-N 2.91Å; S26-S28 PolarHBondContact O-N 3.42Å |
| 27 | P | 57.6 | Low | 56.8 | Low | 94 Ų | 94 | 125 Ų | 125 | 61% | 0.61 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 133.6 | -179.4 | 22.5 | -31.7 | 0 | 0 | 0 | 109.6 | I29 | P27-I29 PolarHBondContact O-N 3.43Š|
| 28 | S | 67.5 | Low | 56.8 | Low | 59 Ų | 59 | 122.8 Ų | 122.8 | 41% | 0.413 | 72% | 0.719 | S | S | . | * | P | Polyproline II helix | trans | -50.9 | 138 | -179.9 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | S26 D30 S31 | S26-S28 PolarHBondContact O-N 3.42Å; S28-D30 PolarHBondContact O-N 3.44Å; S28-D30 WeakPolarHBondContact OG-CB 3.49Å; S28-D30 PolarHBondContact OG-N 3.14Å; S28-D30 VanDerWaalsContact OG-N 3.16Å; S28-D30 PolarHBondContact OG-OD2 3.43Å; S28-S31 WeakPolarHBondContact O-CB 3.42Å; S28-S31 PolarHBondContact O-N 2.86Å |
| 29 | I | 62 | Low | 57 | Low | 119 Ų | 119 | 124.3 Ų | 124.3 | 61% | 0.61 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -49.2 | -31.6 | 171 | -70.1 | 171.1 | 0 | 0 | 0 | 110.9 | P27 S31 L32 L33 | P27-I29 PolarHBondContact O-N 3.43Å; I29-S31 PolarHBondContact O-N 2.96Å; I29-L32 PolarHBondContact O-N 3.16Å; I29-L33 HydrophobicContact CG2-CD1 3.83Å; I29-L33 HydrophobicContact CG2-CG 4.27Å; I29-L33 PolarHBondContact O-N 3.2Å; I29-L33 VanDerWaalsContact O-N 3.12Å |
| 30 | D | 60.4 | Low | 57.6 | Low | 132 Ų | 132 | 122.5 Ų | 122.5 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -62.9 | -24 | 177.4 | -56.6 | -41.9 | 0 | 0 | 0 | 113.5 | S28 | S28-D30 PolarHBondContact O-N 3.44Å; S28-D30 WeakPolarHBondContact OG-CB 3.49Å; S28-D30 PolarHBondContact OG-N 3.14Å; S28-D30 VanDerWaalsContact OG-N 3.16Å; S28-D30 PolarHBondContact OG-OD2 3.43Å |
| 31 | S | 68.4 | Low | 58.5 | Low | 96 Ų | 96 | 122.5 Ų | 122.5 | 67% | 0.671 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -81.5 | -22.7 | 174.1 | -56.7 | 0 | 0 | 0 | 0 | 112.7 | S28 I29 | S28-S31 WeakPolarHBondContact O-CB 3.42Å; S28-S31 PolarHBondContact O-N 2.86Å; I29-S31 PolarHBondContact O-N 2.96Å |
| 32 | L | 63.5 | Low | 59.1 | Low | 122 Ų | 122 | 123.2 Ų | 123.2 | 64% | 0.639 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -91.6 | -23.4 | -176.6 | -69.1 | 170.7 | 0 | 0 | 0 | 112.8 | I29 P34 | I29-L32 PolarHBondContact O-N 3.16Å; L32-P34 WeakPolarHBondContact O-CD 3.46Å |
| 33 | L | 61.6 | Low | 60.3 | Low | 115 Ų | 115 | 122.3 Ų | 122.3 | 60% | 0.602 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -90.5 | 100.4 | 172.8 | -64.1 | 174.2 | 0 | 0 | 0 | 107.6 | I29 G35 | I29-L33 HydrophobicContact CG2-CD1 3.83Å; I29-L33 HydrophobicContact CG2-CG 4.27Å; I29-L33 PolarHBondContact O-N 3.2Å; I29-L33 VanDerWaalsContact O-N 3.12Å; L33-G35 PolarHBondContact O-N 3.48Å |
| 34 | P | 58.4 | Low | 61.9 | Low | 106 Ų | 106 | 115.6 Ų | 115.6 | 69% | 0.688 | 65% | 0.648 | S | S | * | * | trans | -52.1 | 125.1 | 163.3 | 22.4 | -30.4 | 0 | 0 | 0 | 105.5 | L32 L36 | L32-P34 WeakPolarHBondContact O-CD 3.46Å; P34-L36 PolarHBondContact O-N 3.49Å | ||
| 35 | G | 57.3 | Low | 63.5 | Low | 77 Ų | 77 | 114 Ų | 114 | 79% | 0.794 | 64% | 0.64 | S | S | * | * | trans | -55.3 | 86.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | L33 P37 | L33-G35 PolarHBondContact O-N 3.48Å; G35-P37 WeakPolarHBondContact O-CD 3.43Å; G35-P37 VanDerWaalsContact O-N 3.1Å | ||
| 36 | L | 51.9 | Low | 65 | Low | 146 Ų | 146 | 114.6 Ų | 114.6 | 76% | 0.764 | 63% | 0.633 | S | S | * | * | trans | -58.2 | 119.7 | 169.2 | -82.9 | 162.7 | 0 | 0 | 0 | 102.3 | P34 I38 | P34-L36 PolarHBondContact O-N 3.49Å; L36-I38 VanDerWaalsContact C-N 3.35Å; L36-I38 PolarHBondContact O-N 3.41Å | ||
| 37 | P | 54.6 | Low | 66.1 | Low | 107 Ų | 107 | 112.2 Ų | 112.2 | 70% | 0.695 | 62% | 0.617 | S | S | * | * | trans | -53.9 | 112.6 | 177.7 | 21.9 | -30.7 | 0 | 0 | 0 | 104.9 | G35 Q39 | G35-P37 WeakPolarHBondContact O-CD 3.43Å; G35-P37 VanDerWaalsContact O-N 3.1Å; P37-Q39 VanDerWaalsContact C-N 3.29Å; P37-Q39 PolarHBondContact O-N 3.11Å | ||
| 38 | I | 56.9 | Low | 67.5 | Low | 126 Ų | 126 | 110.4 Ų | 110.4 | 65% | 0.646 | 60% | 0.602 | S | S | * | * | trans | -54.3 | 113.2 | 164 | -61.5 | 174 | 0 | 0 | 0 | 101.2 | L36 E40 Y43 | L36-I38 VanDerWaalsContact C-N 3.35Å; L36-I38 PolarHBondContact O-N 3.41Å; I38-E40 HydrophobicContact CG2-CG 4.45Å; I38-E40 PolarHBondContact O-N 2.95Å; I38-Y43 HydrophobicContact CG2-CD2 4.06Å; I38-Y43 HydrophobicContact CG2-CE2 4.37Å | ||
| 39 | Q | 58.3 | Low | 68.4 | Low | 133 Ų | 133 | 115.5 Ų | 115.5 | 62% | 0.621 | 61% | 0.612 | S | S | * | * | trans | -67.4 | 82.6 | 173.9 | -69.9 | -176.2 | -43.3 | 0 | 0 | 104.4 | P37 D41 L42 | P37-Q39 VanDerWaalsContact C-N 3.29Å; P37-Q39 PolarHBondContact O-N 3.11Å; Q39-D41 PolarHBondContact O-N 3.43Å; Q39-L42 HydrophobicContact CB-CB 4.48Å; Q39-L42 HydrophobicContact CB-CD1 3.73Å; Q39-L42 HydrophobicContact CG-CD1 4.4Å; Q39-L42 WeakPolarHBondContact O-CB 3.35Å; Q39-L42 PolarHBondContact O-N 3.12Å | ||
| 40 | E | 61.5 | Low | 69.7 | Low | 158 Ų | 158 | 113.8 Ų | 113.8 | 74% | 0.738 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | -27.1 | -178.5 | -74.3 | -178.2 | 170.2 | 0 | 0 | 109.9 | I38 L42 Y43 N44 | I38-E40 HydrophobicContact CG2-CG 4.45Å; I38-E40 PolarHBondContact O-N 2.95Å; E40-L42 VanDerWaalsContact C-N 3.35Å; E40-L42 PolarHBondContact O-N 3.37Å; E40-Y43 CarbonylContact O-C 3.37Å; E40-Y43 PolarHBondContact O-N 2.89Å; E40-Y43 VanDerWaalsContact O-N 3.14Å; E40-N44 PolarHBondContact O-N 3.4Å |
| 41 | D | 67.8 | Low | 70.9 | Confident | 123 Ų | 123 | 112.1 Ų | 112.1 | 66% | 0.658 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -35.4 | 175.4 | -153.4 | 19.4 | 0 | 0 | 0 | 113.4 | Q39 Y43 N44 S47 | Q39-D41 PolarHBondContact O-N 3.43Å; D41-Y43 VanDerWaalsContact C-N 3.3Å; D41-Y43 PolarHBondContact O-N 3Å; D41-N44 PolarHBondContact O-N 2.89Å; D41-N44 PolarHBondContact O-ND2 2.79Å; D41-N44 PolarHBondContact OD1-ND2 3.19Å; D41-S47 PolarHBondContact O-OG 3.02Å |
| 42 | L | 64.1 | Low | 71.8 | Confident | 108 Ų | 108 | 114.3 Ų | 114.3 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -27.8 | 174.5 | -95.4 | 125.4 | 0 | 0 | 0 | 113 | Q39 E40 S47 | Q39-L42 HydrophobicContact CB-CB 4.48Å; Q39-L42 HydrophobicContact CB-CD1 3.73Å; Q39-L42 HydrophobicContact CG-CD1 4.4Å; Q39-L42 WeakPolarHBondContact O-CB 3.35Å; Q39-L42 PolarHBondContact O-N 3.12Å; E40-L42 VanDerWaalsContact C-N 3.35Å; E40-L42 PolarHBondContact O-N 3.37Å; L42-S47 WeakPolarHBondContact O-CB 3.25Å |
| 43 | Y | 72.9 | Confident | 73 | Confident | 160 Ų | 160 | 111.5 Ų | 111.5 | 63% | 0.627 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 12.5 | 179.8 | -63.9 | -74.5 | 0 | 0 | 0 | 112.8 | I38 E40 D41 L48 | I38-Y43 HydrophobicContact CG2-CD2 4.06Å; I38-Y43 HydrophobicContact CG2-CE2 4.37Å; E40-Y43 CarbonylContact O-C 3.37Å; E40-Y43 PolarHBondContact O-N 2.89Å; E40-Y43 VanDerWaalsContact O-N 3.14Å; D41-Y43 VanDerWaalsContact C-N 3.3Å; D41-Y43 PolarHBondContact O-N 3Å; Y43-L48 HydrophobicContact CD1-CD2 4.21Å; Y43-L48 WeakPolarHBondContact O-CD1 3.46Å |
| 44 | N | 85.2 | Confident | 74.3 | Confident | 51 Ų | 51 | 109.8 Ų | 109.8 | 27% | 0.273 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -62.8 | 153.5 | 173.7 | 78.8 | 35.8 | 0 | 0 | 0 | 110 | E40 D41 E46 S47 L48 | E40-N44 PolarHBondContact O-N 3.4Å; D41-N44 PolarHBondContact O-N 2.89Å; D41-N44 PolarHBondContact O-ND2 2.79Å; D41-N44 PolarHBondContact OD1-ND2 3.19Å; N44-E46 PolarHBondContact O-N 3.2Å; N44-E46 PolarHBondContact OD1-N 3.37Å; N44-S47 PolarHBondContact ND2-OG 3.3Å; N44-S47 PolarHBondContact O-N 3.37Å; N44-S47 VanDerWaalsContact OD1-CB 3.25Å; N44-S47 WeakPolarHBondContact OD1-CB 3.37Å; N44-S47 PolarHBondContact OD1-N 3.21Å; N44-S47 PolarHBondContact OD1-OG 3.2Å; N44-L48 PolarHBondContact O-N 3.45Å |
| 45 | E | 84.7 | Confident | 75.9 | Confident | 129 Ų | 129 | 106.8 Ų | 106.8 | 60% | 0.603 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59.5 | -34.5 | -171.2 | -167.4 | -174.7 | 159.7 | 0 | 0 | 112.6 | R49 | E45-R49 WeakPolarHBondContact O-CB 3.5Å; E45-R49 WeakPolarHBondContact O-CD 3.33Å; E45-R49 WeakPolarHBondContact O-CG 3.33Å; E45-R49 PolarHBondContact O-N 3.02Å; E45-R49 IonicContact OE1-CZ 3.25Å; E45-R49 VanDerWaalsContact OE1-CZ 3.25Å; E45-R49 IonicContact OE1-NE 3Å; E45-R49 PolarHBondContact OE1-NE 2.83Å; E45-R49 IonicContact OE1-NH2 2.66Å; E45-R49 PolarHBondContact OE1-NH2 3.48Å |
| 46 | E | 87.8 | Confident | 77.6 | Confident | 149 Ų | 149 | 104.8 Ų | 104.8 | 70% | 0.696 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -70.9 | -42.9 | 179.1 | -175.7 | 173 | -173.8 | 0 | 0 | 112.4 | N44 R49 T50 | N44-E46 PolarHBondContact O-N 3.2Å; N44-E46 PolarHBondContact OD1-N 3.37Å; E46-R49 PolarHBondContact O-N 2.66Å; E46-T50 WeakPolarHBondContact O-CB 3.43Å; E46-T50 PolarHBondContact O-N 2.86Å; E46-T50 PolarHBondContact O-OG1 3.31Å |
| 47 | S | 86 | Confident | 79.6 | Confident | 47 Ų | 47 | 107 Ų | 107 | 33% | 0.329 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 176 | -64.9 | 0 | 0 | 0 | 0 | 110.7 | D41 L42 N44 T50 L51 | D41-S47 PolarHBondContact O-OG 3.02Å; L42-S47 WeakPolarHBondContact O-CB 3.25Å; N44-S47 PolarHBondContact ND2-OG 3.3Å; N44-S47 PolarHBondContact O-N 3.37Å; N44-S47 VanDerWaalsContact OD1-CB 3.25Å; N44-S47 WeakPolarHBondContact OD1-CB 3.37Å; N44-S47 PolarHBondContact OD1-N 3.21Å; N44-S47 PolarHBondContact OD1-OG 3.2Å; S47-T50 PolarHBondContact O-N 2.98Å; S47-L51 WeakPolarHBondContact O-CB 3.39Å; S47-L51 PolarHBondContact O-N 2.96Å |
| 48 | L | 87.1 | Confident | 81.5 | Confident | 56 Ų | 56 | 107.3 Ų | 107.3 | 29% | 0.293 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 174.1 | -71.7 | 178.3 | 0 | 0 | 0 | 111.9 | Y43 N44 T50 L51 F52 | Y43-L48 HydrophobicContact CD1-CD2 4.21Å; Y43-L48 WeakPolarHBondContact O-CD1 3.46Å; N44-L48 PolarHBondContact O-N 3.45Å; L48-T50 VanDerWaalsContact C-N 3.32Å; L48-T50 PolarHBondContact O-N 3.27Å; L48-L51 PolarHBondContact O-N 2.93Å; L48-F52 HydrophobicContact CB-CD2 4.33Å; L48-F52 HydrophobicContact CB-CE2 4.34Å; L48-F52 HydrophobicContact CD2-CE2 4.46Å; L48-F52 WeakPolarHBondContact O-CB 3.36Å; L48-F52 WeakPolarHBondContact O-CD2 3.4Å; L48-F52 PolarHBondContact O-N 3.38Å |
| 49 | R | 86.5 | Confident | 83.3 | Confident | 165 Ų | 165 | 106.8 Ų | 106.8 | 62% | 0.623 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.3 | -44.5 | 176.8 | -78.6 | 169.1 | -179.7 | -99 | 5.3 | 111.6 | E45 E46 F52 A53 | E45-R49 WeakPolarHBondContact O-CB 3.5Å; E45-R49 WeakPolarHBondContact O-CD 3.33Å; E45-R49 WeakPolarHBondContact O-CG 3.33Å; E45-R49 PolarHBondContact O-N 3.02Å; E45-R49 IonicContact OE1-CZ 3.25Å; E45-R49 VanDerWaalsContact OE1-CZ 3.25Å; E45-R49 IonicContact OE1-NE 3Å; E45-R49 PolarHBondContact OE1-NE 2.83Å; E45-R49 IonicContact OE1-NH2 2.66Å; E45-R49 PolarHBondContact OE1-NH2 3.48Å; E46-R49 PolarHBondContact O-N 2.66Å; R49-F52 PolarHBondContact O-N 2.79Å; R49-A53 VanDerWaalsContact O-CB 3.31Å; R49-A53 WeakPolarHBondContact O-CB 3.43Å; R49-A53 PolarHBondContact O-N 3.48Å |
| 50 | T | 88.4 | Confident | 85.1 | Confident | 84 Ų | 84 | 104.1 Ų | 104.1 | 52% | 0.515 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 176.6 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | E46 S47 L48 F52 A53 V54 | E46-T50 WeakPolarHBondContact O-CB 3.43Å; E46-T50 PolarHBondContact O-N 2.86Å; E46-T50 PolarHBondContact O-OG1 3.31Å; S47-T50 PolarHBondContact O-N 2.98Å; L48-T50 VanDerWaalsContact C-N 3.32Å; L48-T50 PolarHBondContact O-N 3.27Å; T50-F52 PolarHBondContact O-N 3.4Å; T50-A53 PolarHBondContact O-N 2.92Å; T50-V54 WeakPolarHBondContact O-CG2 3.31Å; T50-V54 PolarHBondContact O-N 2.89Å |
| 51 | L | 86.4 | Confident | 86.8 | Confident | 97 Ų | 97 | 102.5 Ų | 102.5 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.2 | -47.5 | 177 | -179.9 | 64.7 | 0 | 0 | 0 | 111.4 | S47 L48 A53 V54 T55 | S47-L51 WeakPolarHBondContact O-CB 3.39Å; S47-L51 PolarHBondContact O-N 2.96Å; L48-L51 PolarHBondContact O-N 2.93Å; L51-A53 VanDerWaalsContact C-N 3.35Å; L51-A53 PolarHBondContact O-N 3Å; L51-V54 PolarHBondContact O-N 3.12Å; L51-T55 HydrophobicContact CD1-CG2 3.8Å; L51-T55 HydrophobicContact CG-CG2 4.28Å; L51-T55 WeakPolarHBondContact O-CB 3.48Å; L51-T55 WeakPolarHBondContact O-CG2 3.44Å; L51-T55 PolarHBondContact O-N 2.66Å; L51-T55 PolarHBondContact O-OG1 3.3Å |
| 52 | F | 86.9 | Confident | 88.2 | Confident | 141 Ų | 141 | 101.1 Ų | 101.1 | 62% | 0.618 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.9 | -34.2 | 177.3 | -78.9 | -62.6 | 0 | 0 | 0 | 112.9 | L48 R49 T50 T55 G56 | L48-F52 HydrophobicContact CB-CD2 4.33Å; L48-F52 HydrophobicContact CB-CE2 4.34Å; L48-F52 HydrophobicContact CD2-CE2 4.46Å; L48-F52 WeakPolarHBondContact O-CB 3.36Å; L48-F52 WeakPolarHBondContact O-CD2 3.4Å; L48-F52 PolarHBondContact O-N 3.38Å; R49-F52 PolarHBondContact O-N 2.79Å; T50-F52 PolarHBondContact O-N 3.4Å; F52-T55 WeakPolarHBondContact CA-OG1 3.19Å; F52-G56 VanDerWaalsContact O-CA 3.22Å; F52-G56 WeakPolarHBondContact O-CA 3.41Å; F52-G56 PolarHBondContact O-N 3.43Å |
| 53 | A | 89.3 | Confident | 89.8 | Confident | 63 Ų | 63 | 103.2 Ų | 103.2 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.9 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | R49 T50 L51 R57 | R49-A53 VanDerWaalsContact O-CB 3.31Å; R49-A53 WeakPolarHBondContact O-CB 3.43Å; R49-A53 PolarHBondContact O-N 3.48Å; T50-A53 PolarHBondContact O-N 2.92Å; L51-A53 VanDerWaalsContact C-N 3.35Å; L51-A53 PolarHBondContact O-N 3Å; A53-R57 WeakPolarHBondContact O-CB 3.22Å; A53-R57 PolarHBondContact O-N 2.84Å |
| 54 | V | 88.6 | Confident | 91 | Very high | 79 Ų | 79 | 103 Ų | 103 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.7 | -58 | 177.1 | 176 | 0 | 0 | 0 | 0 | 110.4 | T50 L51 G56 R57 E58 | T50-V54 WeakPolarHBondContact O-CG2 3.31Å; T50-V54 PolarHBondContact O-N 2.89Å; L51-V54 PolarHBondContact O-N 3.12Å; V54-G56 VanDerWaalsContact C-N 3.31Å; V54-G56 PolarHBondContact O-N 3.12Å; V54-R57 WeakPolarHBondContact O-CB 3.07Å; V54-R57 PolarHBondContact O-N 3.34Å; V54-R57 VanDerWaalsContact O-N 3.12Å; V54-E58 PolarHBondContact O-N 3.4Å; V54-E58 VanDerWaalsContact O-N 3.12Å |
| 55 | T | 92.2 | Very high | 91.6 | Very high | 44 Ų | 44 | 108.4 Ų | 108.4 | 27% | 0.27 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | -178.7 | 55.9 | 0 | 0 | 0 | 0 | 111.9 | L51 F52 R57 E58 I59 | L51-T55 HydrophobicContact CD1-CG2 3.8Å; L51-T55 HydrophobicContact CG-CG2 4.28Å; L51-T55 WeakPolarHBondContact O-CB 3.48Å; L51-T55 WeakPolarHBondContact O-CG2 3.44Å; L51-T55 PolarHBondContact O-N 2.66Å; L51-T55 PolarHBondContact O-OG1 3.3Å; F52-T55 WeakPolarHBondContact CA-OG1 3.19Å; T55-R57 VanDerWaalsContact C-N 3.33Å; T55-R57 PolarHBondContact O-N 2.88Å; T55-E58 PolarHBondContact O-N 2.8Å; T55-I59 WeakPolarHBondContact O-CB 3.45Å; T55-I59 WeakPolarHBondContact O-CD1 3.16Å; T55-I59 WeakPolarHBondContact O-CG1 3.46Å; T55-I59 PolarHBondContact O-N 3.26Å |
| 56 | G | 92.1 | Very high | 92.3 | Very high | 34 Ų | 34 | 107.3 Ų | 107.3 | 35% | 0.351 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -37.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F52 V54 L60 | F52-G56 VanDerWaalsContact O-CA 3.22Å; F52-G56 WeakPolarHBondContact O-CA 3.41Å; F52-G56 PolarHBondContact O-N 3.43Å; V54-G56 VanDerWaalsContact C-N 3.31Å; V54-G56 PolarHBondContact O-N 3.12Å; G56-L60 VanDerWaalsContact O-CB 3.26Å; G56-L60 WeakPolarHBondContact O-CB 3.36Å; G56-L60 PolarHBondContact O-N 3.46Å |
| 57 | R | 93.8 | Very high | 92.8 | Very high | 193 Ų | 193 | 107.1 Ų | 107.1 | 73% | 0.728 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.1 | -46.7 | 174.3 | -176.5 | -177.3 | -66.3 | -150 | 0.6 | 111.3 | A53 V54 T55 L60 E61 | A53-R57 WeakPolarHBondContact O-CB 3.22Å; A53-R57 PolarHBondContact O-N 2.84Å; V54-R57 WeakPolarHBondContact O-CB 3.07Å; V54-R57 PolarHBondContact O-N 3.34Å; V54-R57 VanDerWaalsContact O-N 3.12Å; T55-R57 VanDerWaalsContact C-N 3.33Å; T55-R57 PolarHBondContact O-N 2.88Å; R57-L60 PolarHBondContact O-N 2.86Å; R57-E61 PolarHBondContact O-N 3.41Å |
| 58 | E | 95.2 | Very high | 93.4 | Very high | 114 Ų | 114 | 112.3 Ų | 112.3 | 53% | 0.533 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 178.8 | -68.3 | 178.1 | 167.4 | 0 | 0 | 112.2 | V54 T55 L60 E61 T62 | V54-E58 PolarHBondContact O-N 3.4Å; V54-E58 VanDerWaalsContact O-N 3.12Å; T55-E58 PolarHBondContact O-N 2.8Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 3.28Å; E58-E61 PolarHBondContact O-N 2.87Å; E58-T62 WeakPolarHBondContact O-CB 3.36Å; E58-T62 PolarHBondContact O-N 3.43Å; E58-T62 PolarHBondContact O-OG1 3.48Å |
| 59 | I | 94.9 | Very high | 93.9 | Very high | 114 Ų | 114 | 113 Ų | 113 | 59% | 0.585 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.1 | -44.5 | 174.6 | -70 | 164.9 | 0 | 0 | 0 | 110.1 | T55 T62 K63 | T55-I59 WeakPolarHBondContact O-CB 3.45Å; T55-I59 WeakPolarHBondContact O-CD1 3.16Å; T55-I59 WeakPolarHBondContact O-CG1 3.46Å; T55-I59 PolarHBondContact O-N 3.26Å; I59-T62 PolarHBondContact O-N 2.85Å; I59-K63 WeakPolarHBondContact O-CB 3.38Å; I59-K63 PolarHBondContact O-N 2.92Å |
| 60 | L | 95.2 | Very high | 94.5 | Very high | 78 Ų | 78 | 108.6 Ų | 108.6 | 41% | 0.408 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 179.5 | -178.7 | 60.5 | 0 | 0 | 0 | 112 | G56 R57 E58 K63 R64 | G56-L60 VanDerWaalsContact O-CB 3.26Å; G56-L60 WeakPolarHBondContact O-CB 3.36Å; G56-L60 PolarHBondContact O-N 3.46Å; R57-L60 PolarHBondContact O-N 2.86Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 3.28Å; L60-K63 PolarHBondContact O-N 3.27Å; L60-R64 WeakPolarHBondContact O-CG 3.33Å; L60-R64 PolarHBondContact O-N 3.47Å |
| 61 | E | 97.2 | Very high | 94.9 | Very high | 124 Ų | 124 | 109 Ų | 109 | 58% | 0.579 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | 175 | -175.8 | 170.7 | -179.1 | 0 | 0 | 111.6 | R57 E58 K63 R64 R65 | R57-E61 PolarHBondContact O-N 3.41Å; E58-E61 PolarHBondContact O-N 2.87Å; E61-K63 VanDerWaalsContact C-N 3.32Å; E61-K63 PolarHBondContact O-N 2.97Å; E61-R64 WeakPolarHBondContact O-CB 3.49Å; E61-R64 PolarHBondContact O-N 3.15Å; E61-R64 VanDerWaalsContact O-N 3.15Å; E61-R65 WeakPolarHBondContact O-CB 3.5Å; E61-R65 PolarHBondContact O-N 2.85Å |
| 62 | T | 97.7 | Very high | 95.5 | Very high | 93 Ų | 93 | 110.2 Ų | 110.2 | 57% | 0.571 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.2 | -44.1 | 175.8 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | E58 I59 R64 R65 L66 | E58-T62 WeakPolarHBondContact O-CB 3.36Å; E58-T62 PolarHBondContact O-N 3.43Å; E58-T62 PolarHBondContact O-OG1 3.48Å; I59-T62 PolarHBondContact O-N 2.85Å; T62-R64 PolarHBondContact O-N 3.37Å; T62-R65 PolarHBondContact O-N 2.89Å; T62-L66 WeakPolarHBondContact O-CB 3.26Å; T62-L66 PolarHBondContact O-N 3.37Å |
| 63 | K | 97.6 | Very high | 96.1 | Very high | 152 Ų | 152 | 108.5 Ų | 108.5 | 66% | 0.661 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.5 | -43.3 | 174.8 | -176.4 | 178.7 | 179.8 | 177 | 0 | 112.2 | I59 L60 E61 L66 K67 | I59-K63 WeakPolarHBondContact O-CB 3.38Å; I59-K63 PolarHBondContact O-N 2.92Å; L60-K63 PolarHBondContact O-N 3.27Å; E61-K63 VanDerWaalsContact C-N 3.32Å; E61-K63 PolarHBondContact O-N 2.97Å; K63-L66 PolarHBondContact O-N 2.99Å; K63-K67 PolarHBondContact O-N 2.96Å |
| 64 | R | 98.2 | Very high | 96.5 | Very high | 155 Ų | 155 | 108.9 Ų | 108.9 | 59% | 0.585 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.1 | -40.4 | 176.3 | -73 | 172.3 | -178.1 | 161.3 | -0.7 | 111.8 | L60 E61 T62 K67 R68 | L60-R64 WeakPolarHBondContact O-CG 3.33Å; L60-R64 PolarHBondContact O-N 3.47Å; E61-R64 WeakPolarHBondContact O-CB 3.49Å; E61-R64 PolarHBondContact O-N 3.15Å; E61-R64 VanDerWaalsContact O-N 3.15Å; T62-R64 PolarHBondContact O-N 3.37Å; R64-K67 PolarHBondContact O-N 3.4Å; R64-R68 PolarHBondContact O-N 3.17Å |
| 65 | R | 98.3 | Very high | 96.9 | Very high | 165 Ų | 165 | 111.4 Ų | 111.4 | 62% | 0.623 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.4 | -48 | 175.3 | -175.6 | 178.3 | 179.1 | 179.6 | -0.5 | 111.1 | E61 T62 K67 R68 I69 | E61-R65 WeakPolarHBondContact O-CB 3.5Å; E61-R65 PolarHBondContact O-N 2.85Å; T62-R65 PolarHBondContact O-N 2.89Å; R65-K67 VanDerWaalsContact C-N 3.32Å; R65-K67 PolarHBondContact O-N 3.22Å; R65-R68 PolarHBondContact O-N 3.44Å; R65-R68 VanDerWaalsContact O-N 3.15Å; R65-I69 HydrophobicContact CG-CD1 4.29Å; R65-I69 PolarHBondContact O-N 3.15Å; R65-I69 VanDerWaalsContact O-N 3.17Å |
| 66 | L | 98.6 | Very high | 97.2 | Very high | 107 Ų | 107 | 116.6 Ų | 116.6 | 56% | 0.56 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.9 | -42.4 | 177.5 | -175.2 | 63 | 0 | 0 | 0 | 111.7 | T62 K63 R68 I69 V70 | T62-L66 WeakPolarHBondContact O-CB 3.26Å; T62-L66 PolarHBondContact O-N 3.37Å; K63-L66 PolarHBondContact O-N 2.99Å; L66-R68 VanDerWaalsContact C-N 3.3Å; L66-R68 PolarHBondContact O-N 3Å; L66-I69 PolarHBondContact O-N 3.12Å; L66-V70 HydrophobicContact CG-CG2 4.49Å; L66-V70 WeakPolarHBondContact O-CG2 3.31Å; L66-V70 PolarHBondContact O-N 2.99Å |
| 67 | K | 98.1 | Very high | 97.5 | Very high | 145 Ų | 145 | 119.7 Ų | 119.7 | 63% | 0.63 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -56.6 | -42.3 | 175.6 | -175.5 | 179.6 | 178.2 | -178.4 | 0 | 112.4 | K63 R64 R65 V70 L71 | K63-K67 PolarHBondContact O-N 2.96Å; R64-K67 PolarHBondContact O-N 3.4Å; R65-K67 VanDerWaalsContact C-N 3.32Å; R65-K67 PolarHBondContact O-N 3.22Å; K67-V70 PolarHBondContact O-N 3.36Å; K67-L71 HydrophobicContact CG-CD1 4.47Å; K67-L71 WeakPolarHBondContact O-CG 3.36Å; K67-L71 PolarHBondContact O-N 3.34Å; K67-L71 VanDerWaalsContact O-N 3.15Å |
| 68 | R | 98.4 | Very high | 97.7 | Very high | 155 Ų | 155 | 116.4 Ų | 116.4 | 59% | 0.585 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.9 | -48.2 | 176.9 | -73.5 | -174 | -73.2 | -175.9 | -2.1 | 111.7 | R64 R65 L66 V70 L71 E72 | R64-R68 PolarHBondContact O-N 3.17Å; R65-R68 PolarHBondContact O-N 3.44Å; R65-R68 VanDerWaalsContact O-N 3.15Å; L66-R68 VanDerWaalsContact C-N 3.3Å; L66-R68 PolarHBondContact O-N 3Å; R68-V70 VanDerWaalsContact C-N 3.31Å; R68-V70 PolarHBondContact O-N 3.31Å; R68-L71 PolarHBondContact O-N 3.23Å; R68-L71 VanDerWaalsContact O-N 3.12Å; R68-E72 WeakPolarHBondContact O-CG 3.45Å; R68-E72 PolarHBondContact O-N 3.05Å |
| 69 | I | 98.4 | Very high | 97.8 | Very high | 72 Ų | 72 | 116.5 Ų | 116.5 | 37% | 0.369 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57.6 | -45.2 | 178.2 | -65.4 | 168 | 0 | 0 | 0 | 110.8 | R65 L66 L71 E72 L73 | R65-I69 HydrophobicContact CG-CD1 4.29Å; R65-I69 PolarHBondContact O-N 3.15Å; R65-I69 VanDerWaalsContact O-N 3.17Å; L66-I69 PolarHBondContact O-N 3.12Å; I69-L71 VanDerWaalsContact C-N 3.32Å; I69-L71 PolarHBondContact O-N 3.2Å; I69-E72 PolarHBondContact O-N 2.87Å; I69-L73 HydrophobicContact CG2-CD1 4.03Å; I69-L73 HydrophobicContact CG2-CG 4.4Å; I69-L73 VanDerWaalsContact O-CG 3.31Å; I69-L73 WeakPolarHBondContact O-CG 3.38Å; I69-L73 PolarHBondContact O-N 3.36Å |
| 70 | V | 98.3 | Very high | 97.9 | Very high | 71 Ų | 71 | 113.4 Ų | 113.4 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 178.5 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | L66 K67 R68 L73 I74 | L66-V70 HydrophobicContact CG-CG2 4.49Å; L66-V70 WeakPolarHBondContact O-CG2 3.31Å; L66-V70 PolarHBondContact O-N 2.99Å; K67-V70 PolarHBondContact O-N 3.36Å; R68-V70 VanDerWaalsContact C-N 3.31Å; R68-V70 PolarHBondContact O-N 3.31Å; V70-L73 PolarHBondContact O-N 3.39Å; V70-I74 HydrophobicContact CG1-CD1 4.04Å; V70-I74 VanDerWaalsContact O-CG1 3.31Å; V70-I74 WeakPolarHBondContact O-CG1 3.49Å; V70-I74 PolarHBondContact O-N 3.15Å |
| 71 | L | 98.2 | Very high | 97.9 | Very high | 93 Ų | 93 | 115.5 Ų | 115.5 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 177.2 | -69.9 | 172.7 | 0 | 0 | 0 | 112.1 | K67 R68 I69 L73 I74 E75 | K67-L71 HydrophobicContact CG-CD1 4.47Å; K67-L71 WeakPolarHBondContact O-CG 3.36Å; K67-L71 PolarHBondContact O-N 3.34Å; K67-L71 VanDerWaalsContact O-N 3.15Å; R68-L71 PolarHBondContact O-N 3.23Å; R68-L71 VanDerWaalsContact O-N 3.12Å; I69-L71 VanDerWaalsContact C-N 3.32Å; I69-L71 PolarHBondContact O-N 3.2Å; L71-L73 VanDerWaalsContact C-N 3.3Å; L71-L73 PolarHBondContact O-N 2.95Å; L71-I74 PolarHBondContact O-N 3.48Å; L71-E75 PolarHBondContact O-N 2.91Å |
| 72 | E | 98.2 | Very high | 97.8 | Very high | 123 Ų | 123 | 118 Ų | 118 | 58% | 0.575 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.1 | -40.6 | 175.4 | -71 | 170.6 | -161.5 | 0 | 0 | 111.6 | R68 I69 E75 Y76 | R68-E72 WeakPolarHBondContact O-CG 3.45Å; R68-E72 PolarHBondContact O-N 3.05Å; I69-E72 PolarHBondContact O-N 2.87Å; E72-E75 PolarHBondContact O-N 3.28Å; E72-Y76 WeakPolarHBondContact O-CB 3.41Å; E72-Y76 PolarHBondContact O-N 3.42Å |
| 73 | L | 98.6 | Very high | 97.7 | Very high | 105 Ų | 105 | 118.9 Ų | 118.9 | 55% | 0.55 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 176 | -72.1 | 173.6 | 0 | 0 | 0 | 112.4 | I69 V70 L71 Y76 E77 | I69-L73 HydrophobicContact CG2-CD1 4.03Å; I69-L73 HydrophobicContact CG2-CG 4.4Å; I69-L73 VanDerWaalsContact O-CG 3.31Å; I69-L73 WeakPolarHBondContact O-CG 3.38Å; I69-L73 PolarHBondContact O-N 3.36Å; V70-L73 PolarHBondContact O-N 3.39Å; L71-L73 VanDerWaalsContact C-N 3.3Å; L71-L73 PolarHBondContact O-N 2.95Å; L73-Y76 PolarHBondContact O-N 3.41Å; L73-E77 WeakPolarHBondContact O-CB 3.31Å; L73-E77 PolarHBondContact O-N 3.4Å |
| 74 | I | 97.9 | Very high | 97.6 | Very high | 70 Ų | 70 | 119 Ų | 119 | 36% | 0.359 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 175.4 | -69.5 | 164.3 | 0 | 0 | 0 | 110.7 | V70 L71 E77 K78 | V70-I74 HydrophobicContact CG1-CD1 4.04Å; V70-I74 VanDerWaalsContact O-CG1 3.31Å; V70-I74 WeakPolarHBondContact O-CG1 3.49Å; V70-I74 PolarHBondContact O-N 3.15Å; L71-I74 PolarHBondContact O-N 3.48Å; I74-E77 PolarHBondContact O-N 3.42Å; I74-K78 HydrophobicContact CG2-CD 4.45Å; I74-K78 WeakPolarHBondContact O-CG 3.42Å; I74-K78 PolarHBondContact O-N 2.93Å |
| 75 | E | 98 | Very high | 97.4 | Very high | 133 Ų | 133 | 114 Ų | 114 | 62% | 0.621 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.2 | -41.5 | 176.5 | -71.2 | -176.5 | 169.4 | 0 | 0 | 112 | L71 E72 K78 K79 | L71-E75 PolarHBondContact O-N 2.91Å; E72-E75 PolarHBondContact O-N 3.28Å; E75-K78 PolarHBondContact O-N 3.31Å; E75-K79 PolarHBondContact O-N 3.12Å |
| 76 | Y | 98.2 | Very high | 97.1 | Very high | 153 Ų | 153 | 108.9 Ų | 108.9 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.2 | -45.4 | 174.6 | -174.5 | -100 | 0 | 0 | 0 | 111.5 | E72 L73 K78 K79 V80 | E72-Y76 WeakPolarHBondContact O-CB 3.41Å; E72-Y76 PolarHBondContact O-N 3.42Å; L73-Y76 PolarHBondContact O-N 3.41Å; Y76-K78 PolarHBondContact O-N 3.33Å; Y76-K79 WeakPolarHBondContact O-CB 3.38Å; Y76-K79 PolarHBondContact O-N 3.03Å; Y76-K79 VanDerWaalsContact O-N 3.12Å; Y76-V80 HydrophobicContact CD1-CG2 4.12Å; Y76-V80 HydrophobicContact CE1-CG2 3.73Å; Y76-V80 WeakPolarHBondContact O-CG2 3.46Å; Y76-V80 PolarHBondContact O-N 3.49Å |
| 77 | E | 97.8 | Very high | 96.8 | Very high | 98 Ų | 98 | 109.7 Ų | 109.7 | 46% | 0.458 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 176.1 | -168.1 | -165.2 | 160.5 | 0 | 0 | 111.5 | L73 I74 K79 V80 K81 | L73-E77 WeakPolarHBondContact O-CB 3.31Å; L73-E77 PolarHBondContact O-N 3.4Å; I74-E77 PolarHBondContact O-N 3.42Å; E77-K79 VanDerWaalsContact C-N 3.3Å; E77-K79 PolarHBondContact O-N 2.96Å; E77-V80 PolarHBondContact O-N 3.42Å; E77-K81 WeakPolarHBondContact O-CG 3.38Å; E77-K81 PolarHBondContact O-N 3.5Å; E77-K81 WeakPolarHBondContact OE1-CE 3.42Å; E77-K81 IonicContact OE1-NZ 2.66Å; E77-K81 PolarHBondContact OE1-NZ 2.88Å |
| 78 | K | 97.9 | Very high | 96.4 | Very high | 125 Ų | 125 | 108.6 Ų | 108.6 | 54% | 0.543 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.5 | -39.2 | 175 | -72.7 | 175 | -177.3 | 178 | 0 | 112 | I74 E75 Y76 R82 | I74-K78 HydrophobicContact CG2-CD 4.45Å; I74-K78 WeakPolarHBondContact O-CG 3.42Å; I74-K78 PolarHBondContact O-N 2.93Å; E75-K78 PolarHBondContact O-N 3.31Å; Y76-K78 PolarHBondContact O-N 3.33Å; K78-R82 WeakPolarHBondContact O-CG 3.36Å; K78-R82 PolarHBondContact O-N 3.03Å; K78-R82 VanDerWaalsContact O-N 3.14Å |
| 79 | K | 97.7 | Very high | 95.6 | Very high | 115 Ų | 115 | 108.2 Ų | 108.2 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 176.2 | -174.3 | 179 | 177.4 | -178.7 | 0 | 111.2 | E75 Y76 E77 K81 R82 M83 | E75-K79 PolarHBondContact O-N 3.12Å; Y76-K79 WeakPolarHBondContact O-CB 3.38Å; Y76-K79 PolarHBondContact O-N 3.03Å; Y76-K79 VanDerWaalsContact O-N 3.12Å; E77-K79 VanDerWaalsContact C-N 3.3Å; E77-K79 PolarHBondContact O-N 2.96Å; K79-K81 VanDerWaalsContact C-N 3.35Å; K79-K81 PolarHBondContact O-N 2.66Å; K79-R82 PolarHBondContact O-N 2.89Å; K79-M83 HydrophobicContact CG-SD 4.23Å; K79-M83 WeakPolarHBondContact O-CG 3.4Å; K79-M83 PolarHBondContact O-N 2.95Å |
| 80 | V | 97 | Very high | 94.6 | Very high | 50 Ų | 50 | 108 Ų | 108 | 30% | 0.303 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 177.2 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | Y76 E77 R82 M83 R84 | Y76-V80 HydrophobicContact CD1-CG2 4.12Å; Y76-V80 HydrophobicContact CE1-CG2 3.73Å; Y76-V80 WeakPolarHBondContact O-CG2 3.46Å; Y76-V80 PolarHBondContact O-N 3.49Å; E77-V80 PolarHBondContact O-N 3.42Å; V80-R82 PolarHBondContact O-N 3.37Å; V80-M83 PolarHBondContact O-N 3.46Å; V80-R84 WeakPolarHBondContact O-CB 3.1Å; V80-R84 PolarHBondContact O-N 3.14Å |
| 81 | K | 96.4 | Very high | 93.1 | Very high | 122 Ų | 122 | 110.3 Ų | 110.3 | 53% | 0.53 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 175.9 | -74.2 | 178.1 | -176.7 | 169 | 0 | 112.2 | E77 K79 R84 A85 | E77-K81 WeakPolarHBondContact O-CG 3.38Å; E77-K81 PolarHBondContact O-N 3.5Å; E77-K81 WeakPolarHBondContact OE1-CE 3.42Å; E77-K81 IonicContact OE1-NZ 2.66Å; E77-K81 PolarHBondContact OE1-NZ 2.88Å; K79-K81 VanDerWaalsContact C-N 3.35Å; K79-K81 PolarHBondContact O-N 2.66Å; K81-R84 PolarHBondContact O-N 3.1Å; K81-A85 PolarHBondContact O-N 3.37Å |
| 82 | R | 95 | Very high | 90.9 | Very high | 177 Ų | 177 | 119.4 Ų | 119.4 | 67% | 0.668 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.5 | -44.5 | 175.9 | -73.3 | -173.9 | -69.9 | 168.5 | -2.9 | 112.4 | K78 K79 V80 R84 A85 A86 | K78-R82 WeakPolarHBondContact O-CG 3.36Å; K78-R82 PolarHBondContact O-N 3.03Å; K78-R82 VanDerWaalsContact O-N 3.14Å; K79-R82 PolarHBondContact O-N 2.89Å; V80-R82 PolarHBondContact O-N 3.37Å; R82-R84 VanDerWaalsContact C-N 3.35Å; R82-R84 PolarHBondContact O-N 3.14Å; R82-A85 PolarHBondContact O-N 3.03Å; R82-A86 PolarHBondContact O-N 3.31Å |
| 83 | M | 95.8 | Very high | 90.6 | Very high | 110 Ų | 110 | 119.3 Ų | 119.3 | 54% | 0.542 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.5 | -42.1 | 177.1 | -71.1 | 177.3 | 66.4 | 0 | 0 | 111.8 | K79 V80 A85 A86 L87 | K79-M83 HydrophobicContact CG-SD 4.23Å; K79-M83 WeakPolarHBondContact O-CG 3.4Å; K79-M83 PolarHBondContact O-N 2.95Å; V80-M83 PolarHBondContact O-N 3.46Å; M83-A85 PolarHBondContact O-N 3.24Å; M83-A86 PolarHBondContact O-N 3.44Å; M83-L87 WeakPolarHBondContact O-CG 3.47Å; M83-L87 PolarHBondContact O-N 3.4Å |
| 84 | R | 94.3 | Very high | 90.1 | Very high | 155 Ų | 155 | 120 Ų | 120 | 59% | 0.585 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.6 | -43.5 | 176.2 | -173.9 | -178.1 | -64.6 | 175.4 | -1.2 | 111.8 | V80 K81 R82 L87 H88 | V80-R84 WeakPolarHBondContact O-CB 3.1Å; V80-R84 PolarHBondContact O-N 3.14Å; K81-R84 PolarHBondContact O-N 3.1Å; R82-R84 VanDerWaalsContact C-N 3.35Å; R82-R84 PolarHBondContact O-N 3.14Å; R84-L87 PolarHBondContact O-N 3.44Å; R84-H88 PolarHBondContact O-CD2 3.44Å; R84-H88 PolarHBondContact O-N 3.03Å; R84-H88 VanDerWaalsContact O-N 3.14Å |
| 85 | A | 93.4 | Very high | 89.7 | Confident | 49 Ų | 49 | 122.8 Ų | 122.8 | 41% | 0.405 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.5 | -46.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K81 R82 M83 L87 H88 E89 | K81-A85 PolarHBondContact O-N 3.37Å; R82-A85 PolarHBondContact O-N 3.03Å; M83-A85 PolarHBondContact O-N 3.24Å; A85-L87 VanDerWaalsContact C-N 3.33Å; A85-L87 PolarHBondContact O-N 3.02Å; A85-H88 PolarHBondContact O-N 3.32Å; A85-H88 VanDerWaalsContact O-N 3.14Å; A85-E89 PolarHBondContact O-N 2.73Å |
| 86 | A | 92.9 | Very high | 89.2 | Confident | 59 Ų | 59 | 122.2 Ų | 122.2 | 49% | 0.488 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.3 | -38.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | R82 M83 E89 G90 | R82-A86 PolarHBondContact O-N 3.31Å; M83-A86 PolarHBondContact O-N 3.44Å; A86-E89 PolarHBondContact O-N 3.43Å; A86-G90 PolarHBondContact O-N 3.1Å; A86-G90 VanDerWaalsContact O-N 3.1Å |
| 87 | L | 92.2 | Very high | 88.7 | Confident | 123 Ų | 123 | 120.3 Ų | 120.3 | 64% | 0.644 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.8 | -38.8 | 175.1 | -72.1 | 171.9 | 0 | 0 | 0 | 112.2 | M83 R84 A85 T91 | M83-L87 WeakPolarHBondContact O-CG 3.47Å; M83-L87 PolarHBondContact O-N 3.4Å; R84-L87 PolarHBondContact O-N 3.44Å; A85-L87 VanDerWaalsContact C-N 3.33Å; A85-L87 PolarHBondContact O-N 3.02Å; L87-T91 PolarHBondContact O-N 3.34Å; L87-T91 PolarHBondContact O-OG1 3Å |
| 88 | H | 89.5 | Confident | 88 | Confident | 122 Ų | 122 | 121.7 Ų | 121.7 | 57% | 0.565 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.8 | -31.8 | 177.2 | -72.6 | -50.8 | 0 | 0 | 0 | 113.2 | R84 A85 | R84-H88 PolarHBondContact O-CD2 3.44Å; R84-H88 PolarHBondContact O-N 3.03Å; R84-H88 VanDerWaalsContact O-N 3.14Å; A85-H88 PolarHBondContact O-N 3.32Å; A85-H88 VanDerWaalsContact O-N 3.14Å |
| 89 | E | 82 | Confident | 87.3 | Confident | 147 Ų | 147 | 121.5 Ų | 121.5 | 69% | 0.687 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.7 | -40.3 | 173.3 | -74.6 | 176.7 | -176.3 | 0 | 0 | 112.1 | A85 A86 T91 R92 | A85-E89 PolarHBondContact O-N 2.73Å; A86-E89 PolarHBondContact O-N 3.43Å; E89-T91 VanDerWaalsContact C-N 3.26Å; E89-T91 PolarHBondContact O-N 3.29Å; E89-R92 PolarHBondContact O-N 3.14Å |
| 90 | G | 76.5 | Confident | 86.5 | Confident | 68 Ų | 68 | 122 Ų | 122 | 70% | 0.701 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -6.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | A86 | A86-G90 PolarHBondContact O-N 3.1Å; A86-G90 VanDerWaalsContact O-N 3.1Å |
| 91 | T | 67.7 | Low | 85.7 | Confident | 119 Ų | 119 | 128 Ų | 128 | 73% | 0.73 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -3.9 | 176.8 | -49.7 | 0 | 0 | 0 | 0 | 112.3 | L87 E89 | L87-T91 PolarHBondContact O-N 3.34Å; L87-T91 PolarHBondContact O-OG1 3Å; E89-T91 VanDerWaalsContact C-N 3.26Å; E89-T91 PolarHBondContact O-N 3.29Å |
| 92 | R | 52.4 | Low | 84.7 | Confident | 285 Ų | 285 | 128.5 Ų | 128.5 | 100% | 1.075 | 65% | 0.645 | S | S | * | * | trans | -103.1 | 0 | 172.4 | -72.7 | -174 | 177.4 | -179.2 | -0.1 | 110.6 | E89 | E89-R92 PolarHBondContact O-N 3.14Š|
Retrieved 92 of 92 residues in 157.4 ms
(Link to these results)