| 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 | 43.7 | Very low | 42 | Very low | 249 Ų | 249 | 163.2 Ų | 163.2 | 100% | 1.227 | 87% | 0.868 | S | S | * | * | 0 | 97.3 | 0 | -65.3 | -106.2 | -103.1 | 0 | 0 | 108.2 | |||||
| 2 | S | 42.3 | Very low | 42.5 | Very low | 125 Ų | 125 | 164.3 Ų | 164.3 | 87% | 0.874 | 86% | 0.86 | S | S | * | * | trans | -148.3 | 93.4 | 169.9 | -166.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 3 | G | 40.8 | Very low | 42.4 | Very low | 70 Ų | 70 | 159.5 Ų | 159.5 | 72% | 0.722 | 84% | 0.835 | S | S | * | * | trans | -81.5 | 134.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V5 | G3-V5 PolarHBondContact O-N 3.45Š| ||
| 4 | K | 40.3 | Very low | 42.5 | Very low | 203 Ų | 203 | 154 Ų | 154 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | trans | -69.1 | 123.6 | 172.8 | -63 | -174.4 | 176.9 | -178 | 0 | 108.9 | T6 | K4-T6 PolarHBondContact O-N 3.36Š| ||
| 5 | V | 37.1 | Very low | 43 | Very low | 143 Ų | 143 | 150 Ų | 150 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -81.2 | 102.9 | 170.3 | 171.2 | 0 | 0 | 0 | 0 | 108.2 | G3 | G3-V5 PolarHBondContact O-N 3.45Š| ||
| 6 | T | 45.8 | Very low | 43.2 | Very low | 128 Ų | 128 | 151.6 Ų | 151.6 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 124.7 | 163.1 | 11.1 | 0 | 0 | 0 | 0 | 108.6 | K4 P8 | K4-T6 PolarHBondContact O-N 3.36Å; T6-P8 WeakPolarHBondContact O-CD 3.39Å |
| 7 | K | 39.6 | Very low | 43.5 | Very low | 195 Ų | 195 | 149.1 Ų | 149.1 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 129.4 | 171 | -74.8 | -177.3 | 173.6 | 179.2 | 0 | 110.3 | ||
| 8 | P | 43.1 | Very low | 44.2 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 125.5 | 154.2 | -7 | 25.2 | 0 | 0 | 0 | 108.5 | T6 E10 | T6-P8 WeakPolarHBondContact O-CD 3.39Å; P8-E10 PolarHBondContact O-N 3.42Å |
| 9 | K | 40.9 | Very low | 44.5 | Very low | 203 Ų | 203 | 145.4 Ų | 145.4 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62 | 119.6 | 166.4 | -176.7 | 175.5 | 179 | 177.4 | 0 | 106.6 | E11 | K9-E11 PolarHBondContact O-N 3.35Š|
| 10 | E | 43 | Very low | 45.2 | Very low | 173 Ų | 173 | 146.3 Ų | 146.3 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -57.5 | 100.5 | 172.6 | -171.1 | 179.9 | 115.9 | 0 | 0 | 107.8 | P8 K12 | P8-E10 PolarHBondContact O-N 3.42Å; E10-K12 VanDerWaalsContact C-N 3.34Å; E10-K12 PolarHBondContact O-N 3.32Å; E10-K12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | E | 45.1 | Very low | 45.9 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | -75.9 | 97.8 | 167.4 | -159.8 | 176.4 | 168.5 | 0 | 0 | 105.2 | K9 D13 | K9-E11 PolarHBondContact O-N 3.35Å; E11-D13 PolarHBondContact O-N 2.76Å | ||
| 12 | K | 47.9 | Very low | 46.9 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | trans | -62.6 | 93.6 | 176.2 | -173.7 | 174.9 | -178.6 | 177.5 | 0 | 107.4 | E10 A14 | E10-K12 VanDerWaalsContact C-N 3.34Å; E10-K12 PolarHBondContact O-N 3.32Å; E10-K12 VanDerWaalsContact O-N 3.13Å; K12-A14 PolarHBondContact O-N 3.47Å | ||
| 13 | D | 42.2 | Very low | 47.6 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 54% | 0.54 | 73% | 0.728 | S | S | . | * | trans | -46 | 104.7 | 176.3 | -161.9 | -62 | 0 | 0 | 0 | 109.3 | E11 S15 | E11-D13 PolarHBondContact O-N 2.76Å; D13-S15 PolarHBondContact O-N 3.19Å; D13-S15 VanDerWaalsContact O-N 3.13Å; D13-S15 WeakPolarHBondContact OD1-CB 3.49Å; D13-S15 PolarHBondContact OD1-N 3.38Å | ||
| 14 | A | 42.7 | Very low | 48.6 | Very low | 83 Ų | 83 | 132.1 Ų | 132.1 | 69% | 0.686 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -72.1 | -0.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K12 K16 | K12-A14 PolarHBondContact O-N 3.47Å; A14-K16 PolarHBondContact O-N 2.96Å |
| 15 | S | 50.6 | Low | 49.9 | Very low | 94 Ų | 94 | 125.2 Ų | 125.2 | 66% | 0.657 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -73.6 | -9.2 | -178.3 | -144 | 0 | 0 | 0 | 0 | 113.2 | D13 | D13-S15 PolarHBondContact O-N 3.19Å; D13-S15 VanDerWaalsContact O-N 3.13Å; D13-S15 WeakPolarHBondContact OD1-CB 3.49Å; D13-S15 PolarHBondContact OD1-N 3.38Å |
| 16 | K | 45.9 | Very low | 51.4 | Low | 175 Ų | 175 | 122.9 Ų | 122.9 | 76% | 0.761 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -95.2 | 6 | -175.2 | -40.1 | -168.4 | -169.4 | -164.9 | 0 | 115.1 | A14 | A14-K16 PolarHBondContact O-N 2.96Š|
| 17 | V | 48.7 | Very low | 52.5 | Low | 110 Ų | 110 | 122.2 Ų | 122.2 | 67% | 0.667 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -103.8 | 13.1 | -172.2 | -158.2 | 0 | 0 | 0 | 0 | 113 | ||
| 18 | L | 55.4 | Low | 54 | Low | 73 Ų | 73 | 119.7 Ų | 119.7 | 38% | 0.382 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -94.9 | -14.7 | -176.4 | -87 | 161.8 | 0 | 0 | 0 | 114.9 | Q26 I29 | L18-Q26 PolarHBondContact O-NE2 3.17Å; L18-I29 HydrophobicContact CD2-CD1 3.83Å; L18-I29 HydrophobicContact CD2-CG2 4.2Å |
| 19 | D | 50.6 | Low | 55.4 | Low | 155 Ų | 155 | 116.3 Ų | 116.3 | 83% | 0.829 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -19.2 | -172 | -135.7 | -103 | 0 | 0 | 0 | 113.9 | ||
| 20 | D | 57.5 | Low | 56.9 | Low | 162 Ų | 162 | 111.5 Ų | 111.5 | 87% | 0.866 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 9.2 | -178.9 | -121.7 | -60.7 | 0 | 0 | 0 | 113.3 | ||
| 21 | A | 60.1 | Low | 58.2 | Low | 23 Ų | 23 | 108.8 Ų | 108.8 | 19% | 0.19 | 59% | 0.59 | C | S | . | * | S | Bend | trans | -84.6 | 129.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | T25 Q26 | A21-T25 HydrophobicContact CB-CG2 4.13Å; A21-Q26 HydrophobicContact CB-CG 4.45Å |
| 22 | P | 65.1 | Low | 59.5 | Low | 85 Ų | 85 | 106.8 Ų | 106.8 | 55% | 0.552 | 57% | 0.574 | S | S | * | * | trans | -52.3 | 146.8 | -179.7 | -25.4 | 31.6 | 0 | 0 | 0 | 112.3 | G24 T25 | P22-G24 PolarHBondContact O-N 3.07Å; P22-T25 PolarHBondContact O-N 2.88Å | ||
| 23 | P | 57.3 | Low | 60.2 | Low | 145 Ų | 145 | 103.3 Ų | 103.3 | 94% | 0.942 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | 106.4 | 176.5 | 22.6 | -30.9 | 0 | 0 | 0 | 109.1 | ||
| 24 | G | 61.3 | Low | 61.1 | Low | 41 Ų | 41 | 103.1 Ų | 103.1 | 42% | 0.423 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 133.1 | -30.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P22 Y28 | P22-G24 PolarHBondContact O-N 3.07Å; G24-Y28 PolarHBondContact O-N 2.8Å |
| 25 | T | 68.3 | Low | 61.9 | Low | 58 Ų | 58 | 102.9 Ų | 102.9 | 36% | 0.356 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -78.4 | -34.5 | 175.6 | -49.4 | 0 | 0 | 0 | 0 | 111.6 | A21 P22 Y28 I29 | A21-T25 HydrophobicContact CB-CG2 4.13Å; P22-T25 PolarHBondContact O-N 2.88Å; T25-Y28 PolarHBondContact O-N 3.13Å; T25-I29 HydrophobicContact CG2-CD1 3.92Å; T25-I29 HydrophobicContact CG2-CG1 4.42Å; T25-I29 VanDerWaalsContact O-CG1 3.24Å; T25-I29 WeakPolarHBondContact O-CG1 3.37Å; T25-I29 PolarHBondContact O-N 2.87Å |
| 26 | Q | 69.1 | Low | 62.3 | Low | 94 Ų | 94 | 104.2 Ų | 104.2 | 44% | 0.439 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.1 | -43.1 | 172.8 | -73.9 | -174.7 | -5.8 | 0 | 0 | 111.9 | L18 A21 Y28 I29 M30 | L18-Q26 PolarHBondContact O-NE2 3.17Å; A21-Q26 HydrophobicContact CB-CG 4.45Å; Q26-Y28 VanDerWaalsContact C-N 3.31Å; Q26-Y28 PolarHBondContact O-N 2.95Å; Q26-I29 PolarHBondContact O-N 2.87Å; Q26-M30 VanDerWaalsContact O-CB 3.32Å; Q26-M30 WeakPolarHBondContact O-CB 3.45Å; Q26-M30 PolarHBondContact O-N 3.27Å |
| 27 | E | 69 | Low | 62.6 | Low | 114 Ų | 114 | 103 Ų | 103 | 53% | 0.533 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.7 | -45.5 | 174.9 | -54.3 | -62.3 | 160 | 0 | 0 | 111 | M30 L31 | E27-M30 PolarHBondContact O-N 2.88Å; E27-L31 WeakPolarHBondContact O-CB 3.4Å; E27-L31 WeakPolarHBondContact O-CD1 2.98Å; E27-L31 WeakPolarHBondContact O-CG 3.42Å; E27-L31 PolarHBondContact O-N 3.29Å |
| 28 | Y | 70.9 | Confident | 62.9 | Low | 142 Ų | 142 | 102.7 Ų | 102.7 | 56% | 0.557 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.8 | -42.9 | 177.5 | -178.3 | -100.5 | 0 | 0 | 0 | 112.3 | G24 T25 Q26 L31 R32 | G24-Y28 PolarHBondContact O-N 2.8Å; T25-Y28 PolarHBondContact O-N 3.13Å; Q26-Y28 VanDerWaalsContact C-N 3.31Å; Q26-Y28 PolarHBondContact O-N 2.95Å; Y28-L31 PolarHBondContact O-N 3.13Å; Y28-R32 HydrophobicContact CD1-CG 4.24Å; Y28-R32 HydrophobicContact CE1-CG 3.9Å; Y28-R32 HydrophobicContact CE2-CG 4.32Å; Y28-R32 WeakPolarHBondContact O-CG 3.06Å; Y28-R32 PolarHBondContact O-N 3.22Å |
| 29 | I | 72.6 | Confident | 62.9 | Low | 51 Ų | 51 | 103.3 Ų | 103.3 | 26% | 0.262 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.5 | -41.8 | 179.5 | -66.5 | 164.2 | 0 | 0 | 0 | 110.9 | L18 T25 Q26 R32 Q33 | L18-I29 HydrophobicContact CD2-CD1 3.83Å; L18-I29 HydrophobicContact CD2-CG2 4.2Å; T25-I29 HydrophobicContact CG2-CD1 3.92Å; T25-I29 HydrophobicContact CG2-CG1 4.42Å; T25-I29 VanDerWaalsContact O-CG1 3.24Å; T25-I29 WeakPolarHBondContact O-CG1 3.37Å; T25-I29 PolarHBondContact O-N 2.87Å; Q26-I29 PolarHBondContact O-N 2.87Å; I29-R32 PolarHBondContact O-N 2.87Å; I29-Q33 PolarHBondContact O-N 3.27Å |
| 30 | M | 71.8 | Confident | 62.9 | Low | 102 Ų | 102 | 103.8 Ų | 103.8 | 50% | 0.502 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.7 | -46.1 | 177.1 | -165.9 | 168.4 | 61 | 0 | 0 | 111.2 | Q26 E27 R32 Q33 D34 | Q26-M30 VanDerWaalsContact O-CB 3.32Å; Q26-M30 WeakPolarHBondContact O-CB 3.45Å; Q26-M30 PolarHBondContact O-N 3.27Å; E27-M30 PolarHBondContact O-N 2.88Å; M30-R32 VanDerWaalsContact C-N 3.27Å; M30-R32 PolarHBondContact O-N 3.28Å; M30-Q33 PolarHBondContact O-N 3.46Å; M30-D34 PolarHBondContact O-N 2.91Å |
| 31 | L | 70.8 | Confident | 62.8 | Low | 117 Ų | 117 | 103.3 Ų | 103.3 | 61% | 0.613 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.4 | -35.9 | 174 | -73.7 | 167.7 | 0 | 0 | 0 | 112.9 | E27 Y28 S35 | E27-L31 WeakPolarHBondContact O-CB 3.4Å; E27-L31 WeakPolarHBondContact O-CD1 2.98Å; E27-L31 WeakPolarHBondContact O-CG 3.42Å; E27-L31 PolarHBondContact O-N 3.29Å; Y28-L31 PolarHBondContact O-N 3.13Å; L31-S35 PolarHBondContact O-N 3.3Å |
| 32 | R | 72 | Confident | 62.2 | Low | 140 Ų | 140 | 110.9 Ų | 110.9 | 53% | 0.528 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -73.1 | -36.7 | 177.6 | -66.8 | -70.5 | -77.1 | 179.9 | -5.2 | 111.8 | Y28 I29 M30 S35 I36 | Y28-R32 HydrophobicContact CD1-CG 4.24Å; Y28-R32 HydrophobicContact CE1-CG 3.9Å; Y28-R32 HydrophobicContact CE2-CG 4.32Å; Y28-R32 WeakPolarHBondContact O-CG 3.06Å; Y28-R32 PolarHBondContact O-N 3.22Å; I29-R32 PolarHBondContact O-N 2.87Å; M30-R32 VanDerWaalsContact C-N 3.27Å; M30-R32 PolarHBondContact O-N 3.28Å; R32-S35 PolarHBondContact O-N 3.4Å; R32-I36 WeakPolarHBondContact O-CD1 3.39Å; R32-I36 VanDerWaalsContact O-CG1 3.26Å; R32-I36 WeakPolarHBondContact O-CG1 3.14Å; R32-I36 PolarHBondContact O-N 3.3Å |
| 33 | Q | 62.3 | Low | 61.8 | Low | 105 Ų | 105 | 116.5 Ų | 116.5 | 49% | 0.491 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.5 | -40.8 | 177.6 | -76.5 | 176.1 | -18.1 | 0 | 0 | 112.4 | I29 M30 S35 I36 Q37 | I29-Q33 PolarHBondContact O-N 3.27Å; M30-Q33 PolarHBondContact O-N 3.46Å; Q33-S35 VanDerWaalsContact C-N 3.25Å; Q33-S35 PolarHBondContact O-N 2.97Å; Q33-I36 PolarHBondContact O-N 3.22Å; Q33-I36 VanDerWaalsContact O-N 3.09Å; Q33-Q37 PolarHBondContact O-N 3.04Å; Q33-Q37 VanDerWaalsContact O-N 3.08Å |
| 34 | D | 60.4 | Low | 61.7 | Low | 97 Ų | 97 | 118.6 Ų | 118.6 | 52% | 0.519 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.9 | -34.4 | 175 | -75.9 | -13.8 | 0 | 0 | 0 | 112.5 | M30 I36 S38 | M30-D34 PolarHBondContact O-N 2.91Å; D34-I36 VanDerWaalsContact C-N 3.34Å; D34-S38 WeakPolarHBondContact O-CB 3.24Å; D34-S38 PolarHBondContact O-N 3.03Å; D34-S38 PolarHBondContact O-OG 3.18Å |
| 35 | S | 59.9 | Low | 61.8 | Low | 78 Ų | 78 | 123.2 Ų | 123.2 | 55% | 0.545 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.1 | -30.7 | 175.5 | -178 | 0 | 0 | 0 | 0 | 112.9 | L31 R32 Q33 | L31-S35 PolarHBondContact O-N 3.3Å; R32-S35 PolarHBondContact O-N 3.4Å; Q33-S35 VanDerWaalsContact C-N 3.25Å; Q33-S35 PolarHBondContact O-N 2.97Å |
| 36 | I | 59.5 | Low | 61.8 | Low | 121 Ų | 121 | 123 Ų | 123 | 62% | 0.621 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -83.8 | -38.3 | -176.8 | -65.4 | 164.3 | 0 | 0 | 0 | 110.5 | R32 Q33 D34 S38 A39 | R32-I36 WeakPolarHBondContact O-CD1 3.39Å; R32-I36 VanDerWaalsContact O-CG1 3.26Å; R32-I36 WeakPolarHBondContact O-CG1 3.14Å; R32-I36 PolarHBondContact O-N 3.3Å; Q33-I36 PolarHBondContact O-N 3.22Å; Q33-I36 VanDerWaalsContact O-N 3.09Å; D34-I36 VanDerWaalsContact C-N 3.34Å; I36-S38 VanDerWaalsContact C-N 3.33Å; I36-A39 PolarHBondContact O-N 3.48Å |
| 37 | Q | 52.8 | Low | 61.6 | Low | 151 Ų | 151 | 124 Ų | 124 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.6 | -27.8 | 174.6 | -66.6 | -167 | 16.9 | 0 | 0 | 112.9 | Q33 A39 E40 | Q33-Q37 PolarHBondContact O-N 3.04Å; Q33-Q37 VanDerWaalsContact O-N 3.08Å; Q37-A39 PolarHBondContact O-N 2.88Å; Q37-E40 PolarHBondContact O-N 3.5Å |
| 38 | S | 53.1 | Low | 61.7 | Low | 103 Ų | 103 | 125.5 Ų | 125.5 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -9.7 | 176.2 | -72.6 | 0 | 0 | 0 | 0 | 114.5 | D34 I36 E40 | D34-S38 WeakPolarHBondContact O-CB 3.24Å; D34-S38 PolarHBondContact O-N 3.03Å; D34-S38 PolarHBondContact O-OG 3.18Å; I36-S38 VanDerWaalsContact C-N 3.33Å; S38-E40 VanDerWaalsContact C-N 3.3Å |
| 39 | A | 55.4 | Low | 61.8 | Low | 85 Ų | 85 | 126.2 Ų | 126.2 | 70% | 0.702 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -16.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | I36 Q37 L41 | I36-A39 PolarHBondContact O-N 3.48Å; Q37-A39 PolarHBondContact O-N 2.88Å; A39-L41 PolarHBondContact O-N 3.4Å; A39-L41 VanDerWaalsContact O-N 3.14Å |
| 40 | E | 50.6 | Low | 61.9 | Low | 165 Ų | 165 | 127 Ų | 127 | 77% | 0.771 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -86.2 | 82 | 175.1 | -75.8 | -175 | 170 | 0 | 0 | 111.4 | Q37 S38 K42 | Q37-E40 PolarHBondContact O-N 3.5Å; S38-E40 VanDerWaalsContact C-N 3.3Å; E40-K42 PolarHBondContact O-N 2.98Å |
| 41 | L | 56.8 | Low | 62 | Low | 152 Ų | 152 | 128.3 Ų | 128.3 | 80% | 0.796 | 65% | 0.649 | S | S | * | * | trans | 32.3 | 62.2 | 141.3 | -113.8 | 166.3 | 0 | 0 | 0 | 117.9 | A39 | A39-L41 PolarHBondContact O-N 3.4Å; A39-L41 VanDerWaalsContact O-N 3.14Å | ||
| 42 | K | 46.9 | Very low | 62.1 | Low | 183 Ų | 183 | 125.4 Ų | 125.4 | 80% | 0.796 | 64% | 0.638 | S | S | * | * | trans | -128.8 | 105.1 | 149.3 | -68.2 | -81.3 | 177.3 | 164.4 | 0 | 107.2 | E40 K44 | E40-K42 PolarHBondContact O-N 2.98Å; K42-K44 PolarHBondContact O-N 3.18Å | ||
| 43 | K | 56 | Low | 62 | Low | 202 Ų | 202 | 122.3 Ų | 122.3 | 88% | 0.878 | 63% | 0.629 | S | S | * | * | trans | -61.4 | 72.5 | 166.7 | -65.3 | 175.2 | -179.1 | 175.3 | 0 | 109 | E45 | K43-E45 PolarHBondContact O-N 3.08Š| ||
| 44 | K | 55.3 | Low | 62.5 | Low | 189 Ų | 189 | 123.3 Ų | 123.3 | 82% | 0.822 | 63% | 0.634 | S | S | * | * | trans | -77.1 | 103.7 | 159.5 | -73.9 | -157.8 | 174.6 | -176.6 | 0 | 104.8 | K42 S46 | K42-K44 PolarHBondContact O-N 3.18Å; K44-S46 VanDerWaalsContact C-N 3.34Å; K44-S46 PolarHBondContact O-N 3.09Å | ||
| 45 | E | 63.8 | Low | 63.3 | Low | 138 Ų | 138 | 123.2 Ų | 123.2 | 65% | 0.645 | 63% | 0.632 | S | S | * | * | trans | -59.5 | 101.5 | 175.8 | -169.8 | 143.9 | -123.2 | 0 | 0 | 107.7 | K43 R49 | K43-E45 PolarHBondContact O-N 3.08Å; E45-R49 IonicContact OE1-NH1 2.92Å; E45-R49 PolarHBondContact OE1-NH1 2.9Å | ||
| 46 | S | 67.6 | Low | 64.1 | Low | 53 Ų | 53 | 126.7 Ų | 126.7 | 37% | 0.371 | 64% | 0.638 | S | S | . | * | trans | -57.5 | 137.1 | 177.2 | 164.5 | 0 | 0 | 0 | 0 | 108.3 | K44 F48 R49 | K44-S46 VanDerWaalsContact C-N 3.34Å; K44-S46 PolarHBondContact O-N 3.09Å; S46-F48 PolarHBondContact O-N 3.34Å; S46-F48 PolarHBondContact OG-N 3.2Å; S46-R49 WeakPolarHBondContact O-CB 3.26Å; S46-R49 PolarHBondContact O-N 2.95Å | ||
| 47 | P | 66.4 | Low | 64.4 | Low | 115 Ų | 115 | 123.5 Ų | 123.5 | 75% | 0.747 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -59.4 | -21.5 | 175.2 | 22.8 | -31.4 | 0 | 0 | 0 | 112.1 | ||
| 48 | F | 71.1 | Confident | 64.6 | Low | 146 Ų | 146 | 118.1 Ų | 118.1 | 64% | 0.64 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -79.7 | -20.5 | 172.3 | -71.4 | -87.9 | 0 | 0 | 0 | 113.2 | S46 A50 K51 C52 | S46-F48 PolarHBondContact O-N 3.34Å; S46-F48 PolarHBondContact OG-N 3.2Å; F48-A50 PolarHBondContact O-N 3.18Å; F48-K51 PolarHBondContact O-N 3.34Å; F48-C52 VanDerWaalsContact O-CB 3.24Å; F48-C52 WeakPolarHBondContact O-CB 3.17Å; F48-C52 PolarHBondContact O-N 3.14Å; F48-C52 PolarHBondContact O-SG 2.97Å |
| 49 | R | 72.5 | Confident | 64.8 | Low | 158 Ų | 158 | 117.8 Ų | 117.8 | 60% | 0.596 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.8 | -43 | -176.7 | -166.4 | 178.6 | -179.2 | -111 | -3.3 | 111.8 | E45 S46 H53 | E45-R49 IonicContact OE1-NH1 2.92Å; E45-R49 PolarHBondContact OE1-NH1 2.9Å; S46-R49 WeakPolarHBondContact O-CB 3.26Å; S46-R49 PolarHBondContact O-N 2.95Å; R49-H53 VanDerWaalsContact O-CB 3.26Å; R49-H53 WeakPolarHBondContact O-CB 3.32Å; R49-H53 PolarHBondContact O-N 2.84Å |
| 50 | A | 74 | Confident | 64.8 | Low | 67 Ų | 67 | 120.8 Ų | 120.8 | 55% | 0.554 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.8 | -45.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | F48 H53 E54 | F48-A50 PolarHBondContact O-N 3.18Å; A50-H53 PolarHBondContact O-N 3.25Å; A50-E54 PolarHBondContact O-N 2.89Å |
| 51 | K | 75.3 | Confident | 65 | Low | 130 Ų | 130 | 119.5 Ų | 119.5 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.6 | -37.7 | -178.4 | -166.5 | 153.3 | -173.8 | 171.3 | 0 | 113.1 | F48 E54 I55 | F48-K51 PolarHBondContact O-N 3.34Å; K51-E54 PolarHBondContact O-N 2.69Å; K51-I55 HydrophobicContact CG-CD1 3.86Å; K51-I55 WeakPolarHBondContact O-CB 3.42Å; K51-I55 WeakPolarHBondContact O-CD1 3.37Å; K51-I55 VanDerWaalsContact O-CG1 3.24Å; K51-I55 WeakPolarHBondContact O-CG1 3.36Å; K51-I55 PolarHBondContact O-N 2.79Å |
| 52 | C | 72.8 | Confident | 64.8 | Low | 56 Ų | 56 | 120.7 Ų | 120.7 | 38% | 0.378 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.4 | -40.4 | 171 | -71.4 | 0 | 0 | 0 | 0 | 111 | F48 E54 I55 F56 | F48-C52 VanDerWaalsContact O-CB 3.24Å; F48-C52 WeakPolarHBondContact O-CB 3.17Å; F48-C52 PolarHBondContact O-N 3.14Å; F48-C52 PolarHBondContact O-SG 2.97Å; C52-E54 VanDerWaalsContact C-N 3.29Å; C52-E54 PolarHBondContact O-N 3.11Å; C52-I55 PolarHBondContact O-N 2.87Å; C52-F56 HydrophobicContact CB-CD2 4.16Å; C52-F56 WeakPolarHBondContact O-CB 3.33Å; C52-F56 WeakPolarHBondContact O-CD2 3.22Å; C52-F56 PolarHBondContact O-N 2.96Å |
| 53 | H | 70.3 | Confident | 64.8 | Low | 74 Ų | 74 | 117.9 Ų | 117.9 | 34% | 0.343 | 59% | 0.594 | S | S | . | * | I | π-helix | trans | -64.1 | -37.6 | 174.7 | -172.9 | -80.7 | 0 | 0 | 0 | 111.1 | R49 A50 C57 C58 K61 | R49-H53 VanDerWaalsContact O-CB 3.26Å; R49-H53 WeakPolarHBondContact O-CB 3.32Å; R49-H53 PolarHBondContact O-N 2.84Å; A50-H53 PolarHBondContact O-N 3.25Å; H53-C57 CarbonylContact O-C 3.33Å; H53-C57 VanDerWaalsContact O-CA 3.24Å; H53-C57 WeakPolarHBondContact O-CA 3.24Å; H53-C57 WeakPolarHBondContact O-CB 3.14Å; H53-C57 PolarHBondContact O-N 2.91Å; H53-C58 PolarHBondContact ND1-SG 2.72Å; H53-C58 VanDerWaalsContact ND1-SG 3.38Å; H53-C58 PolarHBondContact O-N 2.83Å; H53-C58 PolarHBondContact O-SG 2.98Å; H53-C58 VanDerWaalsContact O-SG 3.35Å; H53-K61 PolarHBondContact CE1-NZ 3.46Å; H53-K61 PolarHBondContact NE2-NZ 3.31Å |
| 54 | E | 73 | Confident | 64.5 | Low | 127 Ų | 127 | 114.5 Ų | 114.5 | 59% | 0.593 | 58% | 0.581 | S | S | * | * | I | π-helix | trans | -64.3 | -45.4 | 174.1 | -165.6 | -178.2 | 175.1 | 0 | 0 | 113 | A50 K51 C52 C58 | A50-E54 PolarHBondContact O-N 2.89Å; K51-E54 PolarHBondContact O-N 2.69Å; C52-E54 VanDerWaalsContact C-N 3.29Å; C52-E54 PolarHBondContact O-N 3.11Å; E54-C58 WeakPolarHBondContact O-CB 3.37Å |
| 55 | I | 76.5 | Confident | 64.2 | Low | 95 Ų | 95 | 115.1 Ų | 115.1 | 49% | 0.487 | 59% | 0.586 | S | S | . | * | I | π-helix | trans | -77.4 | -42.2 | -175.4 | -65.1 | 165.5 | 0 | 0 | 0 | 111.7 | K51 C52 | K51-I55 HydrophobicContact CG-CD1 3.86Å; K51-I55 WeakPolarHBondContact O-CB 3.42Å; K51-I55 WeakPolarHBondContact O-CD1 3.37Å; K51-I55 VanDerWaalsContact O-CG1 3.24Å; K51-I55 WeakPolarHBondContact O-CG1 3.36Å; K51-I55 PolarHBondContact O-N 2.79Å; C52-I55 PolarHBondContact O-N 2.87Å |
| 56 | F | 76.6 | Confident | 63.3 | Low | 151 Ų | 151 | 116.1 Ų | 116.1 | 66% | 0.662 | 59% | 0.589 | S | S | * | * | I | π-helix | trans | -105.2 | -20.7 | -170 | -60.5 | -71.8 | 0 | 0 | 0 | 114 | C52 | C52-F56 HydrophobicContact CB-CD2 4.16Å; C52-F56 WeakPolarHBondContact O-CB 3.33Å; C52-F56 WeakPolarHBondContact O-CD2 3.22Å; C52-F56 PolarHBondContact O-N 2.96Å |
| 57 | C | 66 | Low | 62.5 | Low | 54 Ų | 54 | 122.8 Ų | 122.8 | 37% | 0.365 | 61% | 0.614 | S | S | . | * | I | π-helix | trans | -117.7 | -24.5 | -176 | -55.6 | 0 | 0 | 0 | 0 | 114.2 | H53 P59 | H53-C57 CarbonylContact O-C 3.33Å; H53-C57 VanDerWaalsContact O-CA 3.24Å; H53-C57 WeakPolarHBondContact O-CA 3.24Å; H53-C57 WeakPolarHBondContact O-CB 3.14Å; H53-C57 PolarHBondContact O-N 2.91Å; C57-P59 VanDerWaalsContact C-CD 3.49Å |
| 58 | C | 57.3 | Low | 61.9 | Low | 37 Ų | 37 | 124.4 Ų | 124.4 | 25% | 0.25 | 62% | 0.616 | C | S | . | * | G | 310 helix | trans | -78.6 | -20.9 | -178.6 | -69.7 | 0 | 0 | 0 | 0 | 116.2 | H53 E54 L60 K61 | H53-C58 PolarHBondContact ND1-SG 2.72Å; H53-C58 VanDerWaalsContact ND1-SG 3.38Å; H53-C58 PolarHBondContact O-N 2.83Å; H53-C58 PolarHBondContact O-SG 2.98Å; H53-C58 VanDerWaalsContact O-SG 3.35Å; E54-C58 WeakPolarHBondContact O-CB 3.37Å; C58-L60 PolarHBondContact O-N 3.38Å; C58-L60 VanDerWaalsContact O-N 3.11Å; C58-K61 PolarHBondContact O-N 2.94Å |
| 59 | P | 56.9 | Low | 61 | Low | 96 Ų | 96 | 123.1 Ų | 123.1 | 62% | 0.623 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -58.8 | -25.6 | 171.7 | -23.3 | 33.4 | 0 | 0 | 0 | 112.6 | C57 | C57-P59 VanDerWaalsContact C-CD 3.49Š|
| 60 | L | 54.8 | Low | 60.6 | Low | 149 Ų | 149 | 123.3 Ų | 123.3 | 78% | 0.78 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -87.4 | -7.5 | 179.4 | -61.5 | 174.9 | 0 | 0 | 0 | 114 | C58 | C58-L60 PolarHBondContact O-N 3.38Å; C58-L60 VanDerWaalsContact O-N 3.11Å |
| 61 | K | 55.5 | Low | 59.8 | Low | 138 Ų | 138 | 125.7 Ų | 125.7 | 60% | 0.6 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | -7.4 | -173.5 | -69.9 | -177.5 | 177.7 | 178.7 | 0 | 114.9 | H53 C58 V63 | H53-K61 PolarHBondContact CE1-NZ 3.46Å; H53-K61 PolarHBondContact NE2-NZ 3.31Å; C58-K61 PolarHBondContact O-N 2.94Å; K61-V63 PolarHBondContact O-N 2.89Å |
| 62 | Q | 52.5 | Low | 59.5 | Low | 176 Ų | 176 | 126.2 Ų | 126.2 | 82% | 0.822 | 64% | 0.643 | S | S | * | * | trans | -84.7 | 22 | 174.8 | -81.1 | -169.2 | -12.9 | 0 | 0 | 113.8 | H64 | Q62-H64 VanDerWaalsContact C-N 3.28Å; Q62-H64 PolarHBondContact O-N 3.35Å | ||
| 63 | V | 47.7 | Very low | 59.8 | Low | 124 Ų | 124 | 131.5 Ų | 131.5 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -78.1 | 88.7 | 164.1 | 178.9 | 0 | 0 | 0 | 0 | 107.4 | K61 | K61-V63 PolarHBondContact O-N 2.89Š|
| 64 | H | 47.8 | Very low | 60.4 | Low | 132 Ų | 132 | 133.1 Ų | 133.1 | 61% | 0.611 | 68% | 0.679 | S | S | * | * | trans | 5.8 | 116.2 | 154.7 | -155.2 | -77.3 | 0 | 0 | 0 | 115.4 | Q62 K66 | Q62-H64 VanDerWaalsContact C-N 3.28Å; Q62-H64 PolarHBondContact O-N 3.35Å; H64-K66 VanDerWaalsContact ND1-CG 3.34Å; H64-K66 WeakPolarHBondContact ND1-CG 3.24Å; H64-K66 PolarHBondContact O-N 3.27Å | ||
| 65 | H | 49.8 | Very low | 60.8 | Low | 201 Ų | 201 | 134.9 Ų | 134.9 | 93% | 0.931 | 69% | 0.687 | S | S | * | * | trans | -58.7 | 90.5 | 158.5 | -83.6 | -69.7 | 0 | 0 | 0 | 108.7 | ||||
| 66 | K | 44.3 | Very low | 61.4 | Low | 160 Ų | 160 | 137.7 Ų | 137.7 | 70% | 0.696 | 70% | 0.703 | S | S | * | * | trans | -120.4 | 107.3 | 157.9 | -102.5 | 171.1 | -178.9 | -174.8 | 0 | 105.4 | H64 | H64-K66 VanDerWaalsContact ND1-CG 3.34Å; H64-K66 WeakPolarHBondContact ND1-CG 3.24Å; H64-K66 PolarHBondContact O-N 3.27Å | ||
| 67 | E | 51.5 | Low | 62.1 | Low | 192 Ų | 192 | 140.6 Ų | 140.6 | 90% | 0.897 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -53.3 | 133.7 | 168.1 | -161.9 | 174.8 | 156.4 | 0 | 0 | 108.5 | ||
| 68 | N | 54.3 | Low | 63.4 | Low | 149 Ų | 149 | 141.2 Ų | 141.2 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 66.7 | 101 | -165.2 | -94.5 | -92.5 | 0 | 0 | 0 | 115.2 | ||
| 69 | T | 51.3 | Low | 65.3 | Low | 119 Ų | 119 | 146.4 Ų | 146.4 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | 175.4 | 147.1 | 116.6 | -57.1 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 70 | E | 64.8 | Low | 67.2 | Low | 163 Ų | 163 | 149.4 Ų | 149.4 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -38.8 | 143.8 | 164.8 | -171 | -173 | -167.1 | 0 | 0 | 110.7 | E72 | E70-E72 VanDerWaalsContact C-N 3.29Å; E70-E72 PolarHBondContact O-N 3.19Å | ||
| 71 | P | 57.9 | Low | 69.3 | Low | 117 Ų | 117 | 146.6 Ų | 146.6 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | trans | -57.8 | 97.2 | 173.6 | 24.4 | -33.3 | 0 | 0 | 0 | 108.9 | E73 | P71-E73 PolarHBondContact O-N 3.26Š| ||
| 72 | E | 68.3 | Low | 71.3 | Confident | 140 Ų | 140 | 148 Ų | 148 | 65% | 0.654 | 77% | 0.765 | S | S | * | * | trans | -65.8 | 105.6 | 177.8 | -169.9 | -179 | 170.9 | 0 | 0 | 106.5 | E70 Q75 | E70-E72 VanDerWaalsContact C-N 3.29Å; E70-E72 PolarHBondContact O-N 3.19Å; E72-Q75 PolarHBondContact OE1-NE2 3.07Å | ||
| 73 | E | 79.1 | Confident | 73.5 | Confident | 167 Ų | 167 | 144.5 Ų | 144.5 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | trans | -51.4 | 134.5 | 172.7 | -80.9 | -171.9 | 149.8 | 0 | 0 | 108.4 | P71 Q75 | P71-E73 PolarHBondContact O-N 3.26Å; E73-Q75 PolarHBondContact O-N 2.74Å | ||
| 74 | P | 82.3 | Confident | 75.9 | Confident | 109 Ų | 109 | 145.8 Ų | 145.8 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | trans | -57.5 | 112.9 | -178.4 | 21.5 | -31 | 0 | 0 | 0 | 109.1 | L76 | P74-L76 VanDerWaalsContact C-N 3.3Å; P74-L76 PolarHBondContact O-N 2.79Å | ||
| 75 | Q | 82 | Confident | 78.3 | Confident | 163 Ų | 163 | 141.3 Ų | 141.3 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | trans | -71.4 | 88.4 | 178.9 | -61.6 | -172.1 | 26.4 | 0 | 0 | 109.2 | E72 E73 | E72-Q75 PolarHBondContact OE1-NE2 3.07Å; E73-Q75 PolarHBondContact O-N 2.74Å | ||
| 76 | L | 88.4 | Confident | 80.7 | Confident | 155 Ų | 155 | 143.8 Ų | 143.8 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | trans | -74.5 | 129.7 | 175.4 | -62.7 | 179.3 | 0 | 0 | 0 | 109.6 | P74 G78 | P74-L76 VanDerWaalsContact C-N 3.3Å; P74-L76 PolarHBondContact O-N 2.79Å; L76-G78 PolarHBondContact O-N 3.23Å | ||
| 77 | K | 90.9 | Very high | 83.2 | Confident | 211 Ų | 211 | 143.4 Ų | 143.4 | 92% | 0.917 | 73% | 0.73 | S | S | * | * | trans | -74.8 | 107.5 | 174.2 | -167 | 171.9 | -175.9 | 177.2 | 0 | 109.7 | ||||
| 78 | G | 93.3 | Very high | 85.5 | Confident | 67 Ų | 67 | 136.1 Ų | 136.1 | 69% | 0.691 | 71% | 0.706 | S | S | * | * | trans | -81.5 | 176.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L76 | L76-G78 PolarHBondContact O-N 3.23Š| ||
| 79 | I | 97.4 | Very high | 87.6 | Confident | 147 Ų | 147 | 136.8 Ų | 136.8 | 75% | 0.754 | 70% | 0.698 | S | S | * | * | trans | -123 | 149 | 171.9 | 63.5 | 171.4 | 0 | 0 | 0 | 110.9 | T81 | I79-T81 HydrophobicContact CD1-CG2 3.79Å; I79-T81 HydrophobicContact CG1-CG2 4.11Å | ||
| 80 | V | 97.8 | Very high | 89.8 | Confident | 158 Ų | 158 | 136.5 Ų | 136.5 | 96% | 0.958 | 69% | 0.688 | S | S | * | * | trans | -95.8 | 111.9 | 167.3 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 81 | T | 98 | Very high | 91.4 | Very high | 90 Ų | 90 | 135.1 Ų | 135.1 | 55% | 0.552 | 69% | 0.685 | S | S | * | * | trans | -144.7 | 151.7 | -178.8 | -168.9 | 0 | 0 | 0 | 0 | 112.1 | I79 L83 | I79-T81 HydrophobicContact CD1-CG2 3.79Å; I79-T81 HydrophobicContact CG1-CG2 4.11Å; T81-L83 HydrophobicContact CG2-CD2 4.01Å | ||
| 82 | K | 98.3 | Very high | 93.3 | Very high | 168 Ų | 168 | 136.7 Ų | 136.7 | 73% | 0.73 | 68% | 0.682 | S | S | * | * | trans | -91.5 | 135.5 | 167.2 | -68.3 | -174.4 | 179.5 | -177 | 0 | 108.8 | ||||
| 83 | L | 98.5 | Very high | 94.7 | Very high | 102 Ų | 102 | 137.2 Ų | 137.2 | 53% | 0.534 | 69% | 0.689 | S | S | . | * | trans | -95.2 | 115.2 | 176.3 | -58.1 | 178.3 | 0 | 0 | 0 | 109 | T81 H90 L91 | T81-L83 HydrophobicContact CG2-CD2 4.01Å; L83-H90 WeakPolarHBondContact O-CA 3.48Å; L83-L91 HydrophobicContact CB-CB 4Å; L83-L91 HydrophobicContact CB-CD2 4.46Å; L83-L91 HydrophobicContact CD1-CD2 3.86Å; L83-L91 PolarHBondContact O-N 3.04Å | ||
| 84 | Y | 98.5 | Very high | 95.6 | Very high | 152 Ų | 152 | 134.6 Ų | 134.6 | 60% | 0.596 | 68% | 0.677 | S | S | * | * | B | Isolated β-bridge | trans | -100.3 | 122.5 | 177.1 | -174.9 | -105.7 | 0 | 0 | 0 | 110.2 | G88 H90 | Y84-G88 WeakPolarHBondContact OH-CA 3.32Å; Y84-H90 AromaticContact CD2-CD2 3.98Å; Y84-H90 AromaticContact CD2-CE1 3.63Å; Y84-H90 AromaticContact CD2-ND1 3.91Å; Y84-H90 AromaticContact CD2-NE2 3.68Å |
| 85 | S | 98.5 | Very high | 96.4 | Very high | 37 Ų | 37 | 135 Ų | 135 | 26% | 0.259 | 69% | 0.689 | S | S | . | * | trans | -76.1 | 143.1 | 176.1 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | Q87 G88 Y89 | S85-Q87 PolarHBondContact O-N 3.44Å; S85-Q87 WeakPolarHBondContact OG-CB 3.26Å; S85-Q87 PolarHBondContact OG-N 3.07Å; S85-Q87 VanDerWaalsContact OG-N 3.17Å; S85-Q87 PolarHBondContact OG-OE1 3.31Å; S85-G88 PolarHBondContact O-N 3.27Å; S85-Y89 WeakPolarHBondContact CB-O 3.48Å; S85-Y89 PolarHBondContact N-O 3.38Å | ||
| 86 | R | 98.5 | Very high | 97.1 | Very high | 253 Ų | 253 | 133.6 Ų | 133.6 | 96% | 0.955 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -20.4 | 171 | -175.9 | 175.6 | 168 | -172.9 | -3.5 | 112.9 | G88 | R86-G88 PolarHBondContact O-N 2.92Š|
| 87 | Q | 98.4 | Very high | 97 | Very high | 153 Ų | 153 | 130.8 Ų | 130.8 | 72% | 0.715 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -7.5 | 176.1 | -63.5 | 141 | 17.5 | 0 | 0 | 113.3 | S85 Y89 | S85-Q87 PolarHBondContact O-N 3.44Å; S85-Q87 WeakPolarHBondContact OG-CB 3.26Å; S85-Q87 PolarHBondContact OG-N 3.07Å; S85-Q87 VanDerWaalsContact OG-N 3.17Å; S85-Q87 PolarHBondContact OG-OE1 3.31Å; Q87-Y89 HydrophobicContact CB-CD2 3.92Å; Q87-Y89 HydrophobicContact CB-CE2 4.19Å; Q87-Y89 WeakPolarHBondContact O-CE2 3.24Å |
| 88 | G | 98.5 | Very high | 97.3 | Very high | 38 Ų | 38 | 126.8 Ų | 126.8 | 39% | 0.392 | 69% | 0.685 | S | S | . | * | S | Bend | trans | 100.4 | 19.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y84 S85 R86 | Y84-G88 WeakPolarHBondContact OH-CA 3.32Å; S85-G88 PolarHBondContact O-N 3.27Å; R86-G88 PolarHBondContact O-N 2.92Å |
| 89 | Y | 98.5 | Very high | 97.5 | Very high | 164 Ų | 164 | 129.9 Ų | 129.9 | 64% | 0.643 | 69% | 0.685 | S | S | * | * | trans | -127.4 | 152.4 | -175.5 | -56.6 | -82.1 | 0 | 0 | 0 | 111.8 | S85 Q87 | S85-Y89 WeakPolarHBondContact CB-O 3.48Å; S85-Y89 PolarHBondContact N-O 3.38Å; Q87-Y89 HydrophobicContact CB-CD2 3.92Å; Q87-Y89 HydrophobicContact CB-CE2 4.19Å; Q87-Y89 WeakPolarHBondContact O-CE2 3.24Å | ||
| 90 | H | 98.6 | Very high | 97.5 | Very high | 112 Ų | 112 | 129 Ų | 129 | 52% | 0.519 | 68% | 0.681 | S | S | . | * | B | Isolated β-bridge | trans | -88 | 136.1 | 167.1 | -77.5 | -75 | 0 | 0 | 0 | 110.7 | L83 Y84 Q92 | L83-H90 WeakPolarHBondContact O-CA 3.48Å; Y84-H90 AromaticContact CD2-CD2 3.98Å; Y84-H90 AromaticContact CD2-CE1 3.63Å; Y84-H90 AromaticContact CD2-ND1 3.91Å; Y84-H90 AromaticContact CD2-NE2 3.68Å; H90-Q92 PolarHBondContact O-N 3.4Å |
| 91 | L | 98.4 | Very high | 97.5 | Very high | 134 Ų | 134 | 127.3 Ų | 127.3 | 70% | 0.702 | 67% | 0.665 | S | S | * | * | trans | -66.7 | 132.2 | 169.7 | -169.9 | 69.1 | 0 | 0 | 0 | 109.1 | L83 | L83-L91 HydrophobicContact CB-CB 4Å; L83-L91 HydrophobicContact CB-CD2 4.46Å; L83-L91 HydrophobicContact CD1-CD2 3.86Å; L83-L91 PolarHBondContact O-N 3.04Å | ||
| 92 | Q | 97.9 | Very high | 97.5 | Very high | 150 Ų | 150 | 129.6 Ų | 129.6 | 70% | 0.701 | 67% | 0.672 | S | S | * | * | trans | -135.2 | 131.8 | -179.9 | -178.2 | 172.2 | -20.4 | 0 | 0 | 108.7 | H90 Q94 | H90-Q92 PolarHBondContact O-N 3.4Å; Q92-Q94 HydrophobicContact CG-CG 4.43Å | ||
| 93 | L | 97.6 | Very high | 97.5 | Very high | 151 Ų | 151 | 127.1 Ų | 127.1 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | trans | -106.2 | 119.9 | 166.6 | -179.6 | 62.9 | 0 | 0 | 0 | 106.7 | ||||
| 94 | Q | 97.9 | Very high | 97.4 | Very high | 112 Ų | 112 | 128.9 Ų | 128.9 | 52% | 0.523 | 68% | 0.677 | S | S | . | * | trans | -83.6 | 167.6 | 177.8 | -60.4 | -172 | 25.5 | 0 | 0 | 110 | Q92 D96 G97 | Q92-Q94 HydrophobicContact CG-CG 4.43Å; Q94-D96 WeakPolarHBondContact CB-OD1 3.34Å; Q94-D96 PolarHBondContact O-N 2.75Å; Q94-G97 PolarHBondContact O-N 3.01Å | ||
| 95 | A | 97.6 | Very high | 97.3 | Very high | 118 Ų | 118 | 127.1 Ų | 127.1 | 98% | 0.975 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -22.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | G97 | A95-G97 VanDerWaalsContact C-N 3.32Š|
| 96 | D | 97.4 | Very high | 97.2 | Very high | 133 Ų | 133 | 134.6 Ų | 134.6 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -1.7 | 177.4 | 55.3 | -27.4 | 0 | 0 | 0 | 114 | Q94 | Q94-D96 WeakPolarHBondContact CB-OD1 3.34Å; Q94-D96 PolarHBondContact O-N 2.75Å |
| 97 | G | 87 | Confident | 97.1 | Very high | 97 Ų | 97 | 123.8 Ų | 123.8 | 100% | 1 | 70% | 0.697 | S | S | * | * | trans | 84.1 | 0 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q94 A95 | Q94-G97 PolarHBondContact O-N 3.01Å; A95-G97 VanDerWaalsContact C-N 3.32Å |
Retrieved 97 of 97 residues in 21.4 ms
(Link to these results)