| 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 | 39.3 | Very low | 34.7 | Very low | 250 Ų | 250 | 136.9 Ų | 136.9 | 100% | 1.232 | 84% | 0.839 | S | S | * | * | 0 | 117.8 | 0 | -59.1 | -173.2 | 177.6 | 0 | 0 | 105.7 | |||||
| 2 | S | 34.1 | Very low | 35.1 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 84% | 0.839 | 84% | 0.842 | S | S | * | * | cis | -150.6 | 138.9 | 34.3 | -168 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 3 | A | 33.2 | Very low | 35.4 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | trans | -97.3 | 114.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 4 | A | 36.8 | Very low | 35.7 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 80% | 0.802 | 83% | 0.833 | S | S | * | * | trans | -99.8 | 108.7 | 169 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 5 | S | 36.2 | Very low | 36.1 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | trans | -83.2 | 120.4 | 169.9 | 58.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 6 | V | 34.2 | Very low | 36.3 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | trans | -84.7 | 116.4 | 172.5 | 177.8 | 0 | 0 | 0 | 0 | 108.2 | T8 | V6-T8 HydrophobicContact CG1-CG2 4.29Š| ||
| 7 | L | 32 | Very low | 37.3 | Very low | 166 Ų | 166 | 126.4 Ų | 126.4 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -87.6 | 112.8 | 165.6 | -75.3 | 169.6 | 0 | 0 | 0 | 108.4 | S9 | L7-S9 PolarHBondContact O-N 3.3Š| ||
| 8 | T | 31.7 | Very low | 37.9 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 69% | 0.687 | 81% | 0.809 | S | S | * | * | trans | -85.6 | 99.4 | 170.2 | 41.1 | 0 | 0 | 0 | 0 | 109.5 | V6 | V6-T8 HydrophobicContact CG1-CG2 4.29Š| ||
| 9 | S | 29.9 | Very low | 38.4 | Very low | 108 Ų | 108 | 124.2 Ų | 124.2 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -83.9 | 113.3 | 164.8 | 62.1 | 0 | 0 | 0 | 0 | 109.4 | L7 S11 | L7-S9 PolarHBondContact O-N 3.3Å; S9-S11 PolarHBondContact O-N 2.88Å | ||
| 10 | F | 33.9 | Very low | 38.8 | Very low | 203 Ų | 203 | 125.7 Ų | 125.7 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -78.5 | 106.4 | 166.9 | -82.5 | -89.5 | 0 | 0 | 0 | 109.6 | ||||
| 11 | S | 40.4 | Very low | 39.6 | Very low | 109 Ų | 109 | 125.7 Ų | 125.7 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -123.7 | 120.6 | 162.3 | -75.2 | 0 | 0 | 0 | 0 | 108.5 | S9 | S9-S11 PolarHBondContact O-N 2.88Š| ||
| 12 | P | 39.8 | Very low | 40.3 | Very low | 135 Ų | 135 | 118.3 Ų | 118.3 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | trans | -97.3 | 103.3 | 175.7 | 34 | -24.5 | 0 | 0 | 0 | 109.6 | ||||
| 13 | S | 39.1 | Very low | 41.3 | Very low | 98 Ų | 98 | 115.7 Ų | 115.7 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | trans | -161.9 | 84.3 | 159.8 | 165.5 | 0 | 0 | 0 | 0 | 108.5 | M15 | S13-M15 PolarHBondContact O-N 3.09Š| ||
| 14 | A | 39.5 | Very low | 42.2 | Very low | 105 Ų | 105 | 112.8 Ų | 112.8 | 87% | 0.868 | 71% | 0.707 | S | S | * | * | trans | -65.7 | 112.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 15 | M | 41.2 | Very low | 43.2 | Very low | 131 Ų | 131 | 114.2 Ų | 114.2 | 65% | 0.645 | 70% | 0.699 | S | S | * | * | trans | -88.3 | 133.2 | 168.7 | -74.8 | -70.5 | -72.6 | 0 | 0 | 109.3 | S13 | S13-M15 PolarHBondContact O-N 3.09Š| ||
| 16 | P | 39.6 | Very low | 44.1 | Very low | 116 Ų | 116 | 116.3 Ų | 116.3 | 75% | 0.753 | 69% | 0.69 | S | S | * | * | trans | -85.2 | 126.3 | 177.9 | 31.7 | -28.9 | 0 | 0 | 0 | 111.1 | ||||
| 17 | G | 53 | Low | 45 | Very low | 57 Ų | 57 | 116 Ų | 116 | 59% | 0.588 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 89.7 | 162.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | V19 | G17-V19 PolarHBondContact O-N 2.91Å; G17-V19 VanDerWaalsContact O-N 3.15Å |
| 18 | P | 47.6 | Very low | 46.2 | Very low | 142 Ų | 142 | 117.4 Ų | 117.4 | 92% | 0.922 | 67% | 0.673 | S | S | * | * | trans | -72 | 109.5 | -174 | 28.5 | -31.7 | 0 | 0 | 0 | 110.5 | ||||
| 19 | V | 47.6 | Very low | 47.4 | Very low | 69 Ų | 69 | 117 Ų | 117 | 42% | 0.418 | 67% | 0.666 | S | S | . | * | trans | -92.7 | 130.2 | 176.8 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | G17 T21 V23 | G17-V19 PolarHBondContact O-N 2.91Å; G17-V19 VanDerWaalsContact O-N 3.15Å; V19-T21 PolarHBondContact O-N 3.43Å; V19-V23 HydrophobicContact CG1-CB 3.49Å; V19-V23 VanDerWaalsContact CG1-CB 3.49Å; V19-V23 HydrophobicContact CG1-CG1 3.57Å | ||
| 20 | M | 48 | Very low | 48.2 | Very low | 154 Ų | 154 | 115.4 Ų | 115.4 | 76% | 0.759 | 66% | 0.655 | S | S | * | * | trans | -51.7 | 134.3 | 173.6 | -65.8 | -76.1 | -79.1 | 0 | 0 | 110.4 | D22 V23 | M20-D22 PolarHBondContact O-N 2.81Å; M20-V23 PolarHBondContact O-N 2.77Å | ||
| 21 | T | 54.8 | Low | 48.9 | Very low | 127 Ų | 127 | 113 Ų | 113 | 78% | 0.779 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -51.5 | -29.8 | -170.4 | -28.7 | 0 | 0 | 0 | 0 | 114.3 | V19 M25 | V19-T21 PolarHBondContact O-N 3.43Å; T21-M25 PolarHBondContact O-N 3.11Å |
| 22 | D | 54.2 | Low | 49 | Very low | 94 Ų | 94 | 111.1 Ų | 111.1 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68 | -36.6 | 176.8 | -175.1 | 10.1 | 0 | 0 | 0 | 112.8 | M20 R26 | M20-D22 PolarHBondContact O-N 2.81Å; D22-R26 WeakPolarHBondContact O-CG 3.44Å; D22-R26 PolarHBondContact O-N 2.83Å; D22-R26 IonicContact OD1-CZ 2.6Å; D22-R26 IonicContact OD1-NE 2.85Å; D22-R26 PolarHBondContact OD1-NE 3.17Å; D22-R26 IonicContact OD1-NH2 3.73Å; D22-R26 PolarHBondContact OD1-NH2 3.44Å; D22-R26 IonicContact OD2-CZ 2.71Å; D22-R26 IonicContact OD2-NH2 3.99Å; D22-R26 PolarHBondContact OD2-NH2 2.87Å |
| 23 | V | 54 | Low | 49.4 | Very low | 65 Ų | 65 | 109.8 Ų | 109.8 | 39% | 0.394 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -75.2 | -37.9 | -179.9 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | V19 M20 M25 R26 F27 | V19-V23 HydrophobicContact CG1-CB 3.49Å; V19-V23 VanDerWaalsContact CG1-CB 3.49Å; V19-V23 HydrophobicContact CG1-CG1 3.57Å; M20-V23 PolarHBondContact O-N 2.77Å; V23-M25 VanDerWaalsContact C-N 3.34Å; V23-M25 PolarHBondContact O-N 2.99Å; V23-R26 PolarHBondContact O-N 2.78Å; V23-F27 HydrophobicContact CG1-CD2 4.23Å; V23-F27 HydrophobicContact CG1-CE2 4.05Å; V23-F27 WeakPolarHBondContact O-CD2 3.27Å; V23-F27 PolarHBondContact O-N 2.71Å |
| 24 | A | 52.4 | Low | 50 | Low | 41 Ų | 41 | 111 Ų | 111 | 34% | 0.339 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.3 | -39.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R26 F27 Y28 | A24-R26 VanDerWaalsContact C-N 3.33Å; A24-R26 PolarHBondContact O-N 2.62Å; A24-F27 PolarHBondContact O-N 2.94Å; A24-Y28 WeakPolarHBondContact O-CD2 2.99Å; A24-Y28 PolarHBondContact O-N 2.86Å |
| 25 | M | 57.7 | Low | 50.4 | Low | 128 Ų | 128 | 111.1 Ų | 111.1 | 63% | 0.631 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.6 | -34 | 178.5 | -174.8 | 156.5 | -94.1 | 0 | 0 | 112.7 | T21 V23 Y28 I29 | T21-M25 PolarHBondContact O-N 3.11Å; V23-M25 VanDerWaalsContact C-N 3.34Å; V23-M25 PolarHBondContact O-N 2.99Å; M25-Y28 PolarHBondContact O-N 2.78Å; M25-I29 HydrophobicContact CG-CD1 3.87Å; M25-I29 WeakPolarHBondContact O-CD1 3.38Å; M25-I29 VanDerWaalsContact O-CG1 3.26Å; M25-I29 WeakPolarHBondContact O-CG1 3.34Å; M25-I29 PolarHBondContact O-N 2.93Å |
| 26 | R | 55.5 | Low | 50.8 | Low | 156 Ų | 156 | 110.4 Ų | 110.4 | 59% | 0.589 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.8 | -35.9 | 177.3 | -69.1 | 175.2 | -165.9 | -154.2 | 6.3 | 113.3 | D22 V23 A24 I29 S30 | D22-R26 WeakPolarHBondContact O-CG 3.44Å; D22-R26 PolarHBondContact O-N 2.83Å; D22-R26 IonicContact OD1-CZ 2.6Å; D22-R26 IonicContact OD1-NE 2.85Å; D22-R26 PolarHBondContact OD1-NE 3.17Å; D22-R26 IonicContact OD1-NH2 3.73Å; D22-R26 PolarHBondContact OD1-NH2 3.44Å; D22-R26 IonicContact OD2-CZ 2.71Å; D22-R26 IonicContact OD2-NH2 3.99Å; D22-R26 PolarHBondContact OD2-NH2 2.87Å; V23-R26 PolarHBondContact O-N 2.78Å; A24-R26 VanDerWaalsContact C-N 3.33Å; A24-R26 PolarHBondContact O-N 2.62Å; R26-I29 PolarHBondContact O-N 2.77Å; R26-S30 PolarHBondContact O-N 2.89Å; R26-S30 PolarHBondContact O-OG 3.34Å |
| 27 | F | 54.1 | Low | 51.1 | Low | 120 Ų | 120 | 116.5 Ų | 116.5 | 53% | 0.526 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69.9 | -35.9 | 175.6 | -84.2 | -75.7 | 0 | 0 | 0 | 112.6 | V23 A24 I29 S30 H31 | V23-F27 HydrophobicContact CG1-CD2 4.23Å; V23-F27 HydrophobicContact CG1-CE2 4.05Å; V23-F27 WeakPolarHBondContact O-CD2 3.27Å; V23-F27 PolarHBondContact O-N 2.71Å; A24-F27 PolarHBondContact O-N 2.94Å; F27-I29 VanDerWaalsContact C-N 3.31Å; F27-I29 PolarHBondContact O-N 3.29Å; F27-S30 PolarHBondContact O-N 2.6Å; F27-S30 PolarHBondContact O-OG 3.46Å; F27-H31 PolarHBondContact O-CD2 2.79Å; F27-H31 VanDerWaalsContact O-CD2 3.29Å |
| 28 | Y | 57 | Low | 50.7 | Low | 196 Ų | 196 | 118.2 Ų | 118.2 | 77% | 0.769 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.5 | -30.3 | 175.8 | -89.6 | -84.3 | 0 | 0 | 0 | 112.9 | A24 M25 | A24-Y28 WeakPolarHBondContact O-CD2 2.99Å; A24-Y28 PolarHBondContact O-N 2.86Å; M25-Y28 PolarHBondContact O-N 2.78Å |
| 29 | I | 56.3 | Low | 50.7 | Low | 103 Ų | 103 | 119.4 Ų | 119.4 | 53% | 0.528 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -80.1 | -24.5 | 179 | -62.2 | 164.1 | 0 | 0 | 0 | 111.8 | M25 R26 F27 | M25-I29 HydrophobicContact CG-CD1 3.87Å; M25-I29 WeakPolarHBondContact O-CD1 3.38Å; M25-I29 VanDerWaalsContact O-CG1 3.26Å; M25-I29 WeakPolarHBondContact O-CG1 3.34Å; M25-I29 PolarHBondContact O-N 2.93Å; R26-I29 PolarHBondContact O-N 2.77Å; F27-I29 VanDerWaalsContact C-N 3.31Å; F27-I29 PolarHBondContact O-N 3.29Å |
| 30 | S | 47.6 | Very low | 50.6 | Low | 75 Ų | 75 | 121.9 Ų | 121.9 | 52% | 0.524 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -80.2 | -12.5 | -179.3 | 58.1 | 0 | 0 | 0 | 0 | 114.8 | R26 F27 | R26-S30 PolarHBondContact O-N 2.89Å; R26-S30 PolarHBondContact O-OG 3.34Å; F27-S30 PolarHBondContact O-N 2.6Å; F27-S30 PolarHBondContact O-OG 3.46Å |
| 31 | H | 47 | Very low | 50.4 | Low | 153 Ų | 153 | 119 Ų | 119 | 71% | 0.708 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | 12.3 | -177.2 | -68 | -65.4 | 0 | 0 | 0 | 114.5 | F27 | F27-H31 PolarHBondContact O-CD2 2.79Å; F27-H31 VanDerWaalsContact O-CD2 3.29Å |
| 32 | S | 42.9 | Very low | 50 | Low | 68 Ų | 68 | 117.5 Ų | 117.5 | 48% | 0.476 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -88 | 134.4 | 170.5 | 109.9 | 0 | 0 | 0 | 0 | 111.2 | ||
| 33 | P | 47.3 | Very low | 49.5 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 70% | 0.701 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -63 | 156.6 | 165.3 | 17.9 | -18.1 | 0 | 0 | 0 | 110.8 | ||
| 34 | P | 52.6 | Low | 49.3 | Very low | 122 Ų | 122 | 122 Ų | 122 | 79% | 0.792 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -69.9 | 137.1 | -170.7 | 30.2 | -32.7 | 0 | 0 | 0 | 110.6 | ||
| 35 | P | 48.7 | Very low | 49 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | S | Bend | -144.1 | 39 | 76.8 | 40.3 | -23 | 0 | 0 | 0 | 115.2 | |||
| 36 | L | 48.2 | Very low | 48.4 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 61% | 0.613 | 66% | 0.659 | S | S | * | * | trans | -107.7 | 8.6 | -175.1 | -63.6 | 179.5 | 0 | 0 | 0 | 115.8 | S38 | L36-S38 VanDerWaalsContact C-N 3.28Å; L36-S38 PolarHBondContact O-N 2.82Å | ||
| 37 | R | 46.8 | Very low | 47.9 | Very low | 244 Ų | 244 | 125 Ų | 125 | 92% | 0.921 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -5.3 | -177.8 | -140 | -173.8 | -172.7 | -157.2 | 3.3 | 115 | ||
| 38 | S | 44.8 | Very low | 47.5 | Very low | 92 Ų | 92 | 129.4 Ų | 129.4 | 64% | 0.643 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -4.7 | 179.2 | 84.8 | 0 | 0 | 0 | 0 | 115.1 | L36 | L36-S38 VanDerWaalsContact C-N 3.28Å; L36-S38 PolarHBondContact O-N 2.82Å |
| 39 | F | 47.6 | Very low | 46.9 | Very low | 168 Ų | 168 | 123.8 Ų | 123.8 | 74% | 0.737 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -106.8 | -5.5 | -170.9 | -72.8 | -75.2 | 0 | 0 | 0 | 116.2 | ||
| 40 | I | 45.9 | Very low | 46.4 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 62% | 0.621 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -120.4 | -3.7 | -174.8 | -51 | 176.1 | 0 | 0 | 0 | 113.4 | S42 | I40-S42 PolarHBondContact O-N 3.22Š|
| 41 | S | 43.7 | Very low | 46.2 | Very low | 93 Ų | 93 | 130.7 Ų | 130.7 | 65% | 0.65 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -2 | -178.7 | -157.3 | 0 | 0 | 0 | 0 | 115.2 | ||
| 42 | S | 45 | Very low | 46.1 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 66% | 0.664 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -8.3 | -175.3 | -173.6 | 0 | 0 | 0 | 0 | 115.4 | I40 | I40-S42 PolarHBondContact O-N 3.22Š|
| 43 | Y | 43.8 | Very low | 45.7 | Very low | 197 Ų | 197 | 135.6 Ų | 135.6 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -95.4 | -25.6 | -175.4 | -114.8 | -95.4 | 0 | 0 | 0 | 114.3 | ||
| 44 | G | 50.2 | Low | 45.2 | Very low | 56 Ų | 56 | 138.2 Ų | 138.2 | 58% | 0.577 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -72.6 | -32.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 45 | D | 46.6 | Very low | 44.5 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -80.1 | -20.5 | -175.5 | -69.6 | -32.8 | 0 | 0 | 0 | 113.4 | ||
| 46 | L | 45.7 | Very low | 44.1 | Very low | 132 Ų | 132 | 142 Ų | 142 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -74.9 | -29 | 178.9 | -134.6 | 93.2 | 0 | 0 | 0 | 113 | ||
| 47 | Q | 44.7 | Very low | 43.4 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -79.9 | -30 | 179.8 | -73.6 | -72.1 | -14.1 | 0 | 0 | 112.2 | A49 | Q47-A49 VanDerWaalsContact C-N 3.32Å; Q47-A49 PolarHBondContact O-N 3Å |
| 48 | R | 45.5 | Very low | 42.7 | Very low | 214 Ų | 214 | 134.1 Ų | 134.1 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -75 | -22.1 | 178.6 | -170.9 | 172.2 | -89.2 | -163.2 | -4.4 | 112.8 | ||
| 49 | A | 44.7 | Very low | 42.3 | Very low | 78 Ų | 78 | 141.3 Ų | 141.3 | 65% | 0.645 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -11.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q47 | Q47-A49 VanDerWaalsContact C-N 3.32Å; Q47-A49 PolarHBondContact O-N 3Å |
| 50 | K | 44.8 | Very low | 41.6 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -14 | -178 | -113.2 | 177.3 | 178.2 | 177.6 | 0 | 115.3 | ||
| 51 | N | 43.3 | Very low | 41 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -107.7 | 15.7 | -174.5 | -72.1 | -9.1 | 0 | 0 | 0 | 114.9 | ||
| 52 | R | 45 | Very low | 41 | Very low | 238 Ų | 238 | 144.3 Ų | 144.3 | 90% | 0.898 | 76% | 0.757 | S | S | * | * | trans | -136.8 | 75.1 | 172.8 | -86.3 | -174.5 | 168.3 | -177.2 | -3.5 | 111.2 | ||||
| 53 | A | 35.6 | Very low | 40.9 | Very low | 87 Ų | 87 | 148.4 Ų | 148.4 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | trans | -139.4 | 74 | 166 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 54 | N | 36.8 | Very low | 41.1 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | trans | -156.1 | 80.3 | 159.1 | -97.1 | -15.8 | 0 | 0 | 0 | 108.3 | ||||
| 55 | Q | 38 | Very low | 40.6 | Very low | 195 Ų | 195 | 152.4 Ų | 152.4 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | 171.2 | 151.8 | 132 | -94.2 | -154.9 | 13.8 | 0 | 0 | 111.9 | ||||
| 56 | P | 40.2 | Very low | 40.3 | Very low | 115 Ų | 115 | 156.9 Ų | 156.9 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -100.3 | 147.1 | -171.7 | 37.6 | -29.1 | 0 | 0 | 0 | 112.5 | ||||
| 57 | S | 32.3 | Very low | 40.2 | Very low | 115 Ų | 115 | 159.5 Ų | 159.5 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 168.1 | 118.4 | 131.2 | -174.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 58 | A | 33.3 | Very low | 40.3 | Very low | 80 Ų | 80 | 158.9 Ų | 158.9 | 66% | 0.661 | 80% | 0.804 | S | S | * | * | trans | 28.3 | 113.6 | 141 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 59 | R | 35.3 | Very low | 40.4 | Very low | 243 Ų | 243 | 157 Ų | 157 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | 162.3 | 121.8 | 99.3 | -87 | -177.9 | 178.1 | 172.9 | -0.4 | 111.7 | |||||
| 60 | S | 33.8 | Very low | 40.7 | Very low | 110 Ų | 110 | 164.3 Ų | 164.3 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | 49.1 | 106.9 | 144.7 | -166.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 61 | R | 33.4 | Very low | 40.8 | Very low | 225 Ų | 225 | 161.8 Ų | 161.8 | 85% | 0.849 | 82% | 0.821 | S | S | * | * | 179.1 | 120.5 | 107.9 | -117.3 | 174 | -175.9 | 169.1 | 1.4 | 111.9 | |||||
| 62 | S | 43.9 | Very low | 40.9 | Very low | 110 Ų | 110 | 161 Ų | 161 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | 34 | 90.4 | 150.8 | 61.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 63 | Q | 41.7 | Very low | 40.8 | Very low | 181 Ų | 181 | 157.2 Ų | 157.2 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -139.5 | 129.9 | 145.4 | -73.8 | -169.2 | -21.2 | 0 | 0 | 109.2 | L65 | Q63-L65 PolarHBondContact O-N 3.28Š| ||
| 64 | Q | 47.3 | Very low | 41.1 | Very low | 172 Ų | 172 | 158.4 Ų | 158.4 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -60.8 | 105.8 | -177.3 | -70.1 | -158.6 | -23.9 | 0 | 0 | 110.9 | Y66 | Q64-Y66 PolarHBondContact O-N 3.3Š| ||
| 65 | L | 40.9 | Very low | 41.3 | Very low | 165 Ų | 165 | 156 Ų | 156 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -79.2 | 108.1 | 166.6 | -86 | 119.4 | 0 | 0 | 0 | 108.7 | Q63 K67 | Q63-L65 PolarHBondContact O-N 3.28Å; L65-K67 PolarHBondContact O-N 2.94Å; L65-K67 VanDerWaalsContact O-N 3.13Å | ||
| 66 | Y | 40.9 | Very low | 41.3 | Very low | 212 Ų | 212 | 155.3 Ų | 155.3 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 118.2 | 164 | -68.1 | -84 | 0 | 0 | 0 | 108.9 | Q64 | Q64-Y66 PolarHBondContact O-N 3.3Š|
| 67 | K | 43.8 | Very low | 41.2 | Very low | 187 Ų | 187 | 160.6 Ų | 160.6 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 132.9 | 174.1 | -70.4 | 176.1 | 179.2 | 176.4 | 0 | 108.4 | L65 L69 | L65-K67 PolarHBondContact O-N 2.94Å; L65-K67 VanDerWaalsContact O-N 3.13Å; K67-L69 PolarHBondContact O-N 3.07Å |
| 68 | P | 44.8 | Very low | 41.3 | Very low | 125 Ų | 125 | 166.8 Ų | 166.8 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 125.8 | 172.2 | 24.8 | -31.1 | 0 | 0 | 0 | 108.9 | R70 | P68-R70 PolarHBondContact O-N 2.83Š|
| 69 | L | 48.4 | Very low | 41.6 | Very low | 174 Ų | 174 | 170 Ų | 170 | 91% | 0.911 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 132.3 | 178.7 | -70 | 168.2 | 0 | 0 | 0 | 109.3 | K67 | K67-L69 PolarHBondContact O-N 3.07Š|
| 70 | R | 50.3 | Low | 41.7 | Very low | 233 Ų | 233 | 165.8 Ų | 165.8 | 88% | 0.879 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 144.1 | -177.2 | -70.6 | -164.2 | -106.8 | -170.6 | -3.9 | 111.2 | P68 C72 | P68-R70 PolarHBondContact O-N 2.83Å; R70-C72 PolarHBondContact O-N 2.86Å |
| 71 | P | 48.3 | Very low | 41.7 | Very low | 118 Ų | 118 | 164 Ų | 164 | 77% | 0.766 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 124.6 | 173.8 | -18.6 | 30.6 | 0 | 0 | 0 | 111 | L73 | P71-L73 PolarHBondContact O-N 3.27Š|
| 72 | C | 45.7 | Very low | 41.7 | Very low | 133 Ų | 133 | 158.7 Ų | 158.7 | 90% | 0.899 | 83% | 0.834 | S | S | * | * | trans | -79.9 | 50.7 | -179.2 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | R70 | R70-C72 PolarHBondContact O-N 2.86Š| ||
| 73 | L | 41.7 | Very low | 41.5 | Very low | 159 Ų | 159 | 162 Ų | 162 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | trans | -98.7 | 101.9 | 168.5 | -75.7 | 166.9 | 0 | 0 | 0 | 108.9 | P71 S75 | P71-L73 PolarHBondContact O-N 3.27Å; L73-S75 PolarHBondContact O-N 2.98Å | ||
| 74 | S | 42.2 | Very low | 41.3 | Very low | 113 Ų | 113 | 159.1 Ų | 159.1 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | trans | -67.3 | 94.6 | 173.3 | 60.5 | 0 | 0 | 0 | 0 | 110.2 | Q76 | S74-Q76 PolarHBondContact O-N 3.41Š| ||
| 75 | S | 41.3 | Very low | 40.8 | Very low | 112 Ų | 112 | 155.5 Ų | 155.5 | 78% | 0.783 | 83% | 0.831 | S | S | * | * | trans | -78.7 | 91.8 | 160.9 | -175.9 | 0 | 0 | 0 | 0 | 107.8 | L73 R77 | L73-S75 PolarHBondContact O-N 2.98Å; S75-R77 PolarHBondContact O-N 2.78Å | ||
| 76 | Q | 38.3 | Very low | 40.7 | Very low | 179 Ų | 179 | 159.2 Ų | 159.2 | 84% | 0.836 | 83% | 0.834 | S | S | * | * | trans | -84.4 | 88.9 | 172.3 | -166.2 | 167 | -12.1 | 0 | 0 | 108.4 | S74 | S74-Q76 PolarHBondContact O-N 3.41Š| ||
| 77 | R | 38.5 | Very low | 40.9 | Very low | 226 Ų | 226 | 153.2 Ų | 153.2 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | -72.5 | 127.4 | 150.4 | -82.5 | -172 | 169.7 | -168.9 | -3 | 107.6 | S75 | S75-R77 PolarHBondContact O-N 2.78Š| ||
| 78 | R | 33.8 | Very low | 41.1 | Very low | 246 Ų | 246 | 153.3 Ų | 153.3 | 93% | 0.928 | 83% | 0.828 | S | S | * | * | trans | -160.9 | 140.6 | 132.1 | -105.7 | -160 | -78.5 | -138.2 | 5.8 | 111.4 | ||||
| 79 | D | 39.3 | Very low | 41.7 | Very low | 146 Ų | 146 | 157 Ų | 157 | 78% | 0.781 | 83% | 0.832 | S | S | * | * | trans | -92.7 | 158.9 | -174.7 | -157.8 | 5.3 | 0 | 0 | 0 | 110.7 | ||||
| 80 | D | 37.1 | Very low | 42.5 | Very low | 155 Ų | 155 | 157.7 Ų | 157.7 | 83% | 0.829 | 83% | 0.827 | S | S | * | * | trans | 66.1 | 127.2 | 164 | -92.8 | -26.4 | 0 | 0 | 0 | 123.8 | ||||
| 81 | G | 34.4 | Very low | 43.1 | Very low | 73 Ų | 73 | 152.4 Ų | 152.4 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | trans | 120.7 | 103.3 | 138.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 82 | A | 34.1 | Very low | 43.9 | Very low | 114 Ų | 114 | 155.4 Ų | 155.4 | 94% | 0.942 | 83% | 0.829 | S | S | * | * | trans | 91 | 129.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 83 | H | 38.9 | Very low | 45.3 | Very low | 180 Ų | 180 | 158.6 Ų | 158.6 | 83% | 0.833 | 83% | 0.828 | S | S | * | * | trans | -94.1 | 164 | -168 | -175.1 | -107.5 | 0 | 0 | 0 | 112.2 | ||||
| 84 | V | 37.9 | Very low | 46.9 | Very low | 120 Ų | 120 | 161.2 Ų | 161.2 | 73% | 0.727 | 83% | 0.833 | S | S | * | * | trans | 86.4 | 96.8 | 168.1 | -158.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 85 | A | 35.7 | Very low | 48.4 | Very low | 95 Ų | 95 | 160.7 Ų | 160.7 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | 167.4 | 123.6 | 109.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A87 | A85-A87 PolarHBondContact O-N 2.92Š| |||
| 86 | W | 39.1 | Very low | 49.7 | Very low | 243 Ų | 243 | 161.1 Ų | 161.1 | 92% | 0.92 | 83% | 0.826 | S | S | * | * | trans | -76.4 | 98.7 | -172.7 | -148.5 | -41.2 | 0 | 0 | 0 | 111 | ||||
| 87 | A | 45.6 | Very low | 51.3 | Low | 86 Ų | 86 | 157.9 Ų | 157.9 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | -116.6 | 113.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | A85 K89 | A85-A87 PolarHBondContact O-N 2.92Å; A87-K89 PolarHBondContact O-N 3.23Å | ||
| 88 | K | 47.4 | Very low | 52.9 | Low | 190 Ų | 190 | 154.3 Ų | 154.3 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -59.9 | 94.7 | 180 | -65.8 | 179.1 | 179.2 | 177.1 | 0 | 110.2 | K90 | K88-K90 PolarHBondContact O-N 3.39Š| ||
| 89 | K | 56.8 | Low | 55.2 | Low | 203 Ų | 203 | 145.1 Ų | 145.1 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -67.6 | 115.7 | 167.5 | -72.6 | -175.3 | 179.2 | 177.9 | 0 | 108 | A87 | A87-K89 PolarHBondContact O-N 3.23Š| ||
| 90 | K | 65.3 | Low | 56.9 | Low | 187 Ų | 187 | 141 Ų | 141 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -54 | 137.5 | 171.7 | -70.1 | 178.3 | 177.6 | 176.8 | 0 | 108.7 | K88 M92 | K88-K90 PolarHBondContact O-N 3.39Å; K90-M92 PolarHBondContact O-N 2.99Å |
| 91 | P | 63.2 | Low | 58.6 | Low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 116.9 | 175.2 | 24.9 | -31.9 | 0 | 0 | 0 | 108.4 | K93 | P91-K93 PolarHBondContact O-N 2.62Å; P91-K93 VanDerWaalsContact O-N 3.14Å |
| 92 | M | 65.4 | Low | 60.5 | Low | 181 Ų | 181 | 146.1 Ų | 146.1 | 89% | 0.892 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 116.5 | 170.2 | -70.8 | -164.1 | 164.9 | 0 | 0 | 107.3 | K90 K94 | K90-M92 PolarHBondContact O-N 2.99Å; M92-K94 PolarHBondContact O-N 2.89Å; M92-K94 VanDerWaalsContact O-N 3.16Å |
| 93 | K | 74.8 | Confident | 62.1 | Low | 199 Ų | 199 | 143.3 Ų | 143.3 | 87% | 0.865 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 118 | 172.6 | -70.2 | -179.5 | 179.3 | -178.8 | 0 | 106.9 | P91 S95 | P91-K93 PolarHBondContact O-N 2.62Å; P91-K93 VanDerWaalsContact O-N 3.14Å; K93-S95 PolarHBondContact O-N 3.35Å; K93-S95 VanDerWaalsContact O-N 3.17Å |
| 94 | K | 76.3 | Confident | 63.7 | Low | 215 Ų | 215 | 140.1 Ų | 140.1 | 94% | 0.935 | 74% | 0.742 | S | S | * | * | trans | -64.5 | 114.3 | 171.8 | -63.1 | 178.5 | -179.7 | 179.3 | 0 | 107.2 | M92 | M92-K94 PolarHBondContact O-N 2.89Å; M92-K94 VanDerWaalsContact O-N 3.16Å | ||
| 95 | S | 72.3 | Confident | 65.3 | Low | 102 Ų | 102 | 137.8 Ų | 137.8 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | trans | -103.3 | 135.3 | 173.2 | 62 | 0 | 0 | 0 | 0 | 109.8 | K93 | K93-S95 PolarHBondContact O-N 3.35Å; K93-S95 VanDerWaalsContact O-N 3.17Å | ||
| 96 | V | 70.4 | Confident | 66.7 | Low | 120 Ų | 120 | 138.6 Ų | 138.6 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | -102.8 | 127.7 | 169.1 | 178.9 | 0 | 0 | 0 | 0 | 106.9 | F98 | V96-F98 HydrophobicContact CG1-CZ 4.35Š| ||
| 97 | V | 70.6 | Confident | 67.7 | Low | 112 Ų | 112 | 131.5 Ų | 131.5 | 68% | 0.679 | 71% | 0.706 | S | S | * | * | trans | -117 | 135.9 | 174.3 | -176.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 98 | F | 73.6 | Confident | 68.4 | Low | 151 Ų | 151 | 131.6 Ų | 131.6 | 66% | 0.662 | 71% | 0.706 | S | S | * | * | trans | -94.2 | 132 | 178.1 | -60.3 | -88.6 | 0 | 0 | 0 | 109.6 | V96 L106 | V96-F98 HydrophobicContact CG1-CZ 4.35Å; F98-L106 HydrophobicContact CB-CD1 3.71Å; F98-L106 PolarHBondContact O-N 2.9Å | ||
| 99 | A | 81.7 | Confident | 69.2 | Low | 53 Ų | 53 | 129.2 Ų | 129.2 | 44% | 0.438 | 70% | 0.701 | S | S | . | * | B | Isolated β-bridge | trans | -127.6 | 155.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L104 | A99-L104 CarbonylContact C-O 3.5Å; A99-L104 WeakPolarHBondContact CA-O 3.3Å; A99-L104 VanDerWaalsContact CB-O 3.32Å; A99-L104 WeakPolarHBondContact CB-O 3.49Å |
| 100 | D | 74.7 | Confident | 69.3 | Low | 60 Ų | 60 | 126.3 Ų | 126.3 | 32% | 0.321 | 69% | 0.69 | S | S | . | * | trans | -72.7 | 179.7 | 176.3 | 77.6 | -2.8 | 0 | 0 | 0 | 112.1 | K102 G103 L104 L106 | D100-K102 PolarHBondContact O-N 2.91Å; D100-K102 VanDerWaalsContact O-N 3.07Å; D100-K102 VanDerWaalsContact OD1-C 3.27Å; D100-K102 VanDerWaalsContact OD1-CA 3.29Å; D100-K102 WeakPolarHBondContact OD1-CA 3.41Å; D100-K102 WeakPolarHBondContact OD1-CB 3.36Å; D100-K102 PolarHBondContact OD1-N 2.82Å; D100-G103 PolarHBondContact O-N 3.2Å; D100-G103 PolarHBondContact OD1-N 3.38Å; D100-L104 PolarHBondContact N-O 3.2Å; D100-L104 PolarHBondContact OD1-N 3.24Å; D100-L106 HydrophobicContact CB-CD2 4.29Å | ||
| 101 | T | 73.1 | Confident | 69 | Low | 153 Ų | 153 | 123.6 Ų | 123.6 | 94% | 0.939 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -11.4 | 178.6 | 36.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 102 | K | 73.6 | Confident | 68.4 | Low | 181 Ų | 181 | 126.3 Ų | 126.3 | 79% | 0.787 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | 1.1 | 174.4 | -61.7 | -176.9 | -179.9 | 178.5 | 0 | 112.7 | D100 | D100-K102 PolarHBondContact O-N 2.91Å; D100-K102 VanDerWaalsContact O-N 3.07Å; D100-K102 VanDerWaalsContact OD1-C 3.27Å; D100-K102 VanDerWaalsContact OD1-CA 3.29Å; D100-K102 WeakPolarHBondContact OD1-CA 3.41Å; D100-K102 WeakPolarHBondContact OD1-CB 3.36Å; D100-K102 PolarHBondContact OD1-N 2.82Å |
| 103 | G | 68.3 | Low | 68.2 | Low | 56 Ų | 56 | 122 Ų | 122 | 58% | 0.577 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 83.9 | 12 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | D100 | D100-G103 PolarHBondContact O-N 3.2Å; D100-G103 PolarHBondContact OD1-N 3.38Å |
| 104 | L | 71.4 | Confident | 67.1 | Low | 112 Ų | 112 | 122 Ų | 122 | 59% | 0.586 | 68% | 0.677 | S | S | * | * | trans | -90.6 | 149.3 | 177.7 | -61.2 | 175.6 | 0 | 0 | 0 | 111 | A99 D100 L106 | A99-L104 CarbonylContact C-O 3.5Å; A99-L104 WeakPolarHBondContact CA-O 3.3Å; A99-L104 VanDerWaalsContact CB-O 3.32Å; A99-L104 WeakPolarHBondContact CB-O 3.49Å; D100-L104 PolarHBondContact N-O 3.2Å; D100-L104 PolarHBondContact OD1-N 3.24Å; L104-L106 PolarHBondContact O-N 2.85Å | ||
| 105 | S | 72.9 | Confident | 65.8 | Low | 71 Ų | 71 | 120.3 Ų | 120.3 | 50% | 0.497 | 67% | 0.669 | S | S | . | * | B | Isolated β-bridge | trans | -58.5 | 133.5 | 178.6 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | T107 | S105-T107 PolarHBondContact O-N 3.32Å; S105-T107 VanDerWaalsContact O-N 3.12Å; S105-T107 PolarHBondContact OG-OG1 2.93Å |
| 106 | L | 65.1 | Low | 64.7 | Low | 113 Ų | 113 | 122.5 Ų | 122.5 | 59% | 0.592 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -67.1 | -7.3 | 178.6 | -84.5 | 158.4 | 0 | 0 | 0 | 114.3 | F98 D100 L104 | F98-L106 HydrophobicContact CB-CD1 3.71Å; F98-L106 PolarHBondContact O-N 2.9Å; D100-L106 HydrophobicContact CB-CD2 4.29Å; L104-L106 PolarHBondContact O-N 2.85Å |
| 107 | T | 59.1 | Low | 63.9 | Low | 94 Ų | 94 | 124.7 Ų | 124.7 | 58% | 0.577 | 68% | 0.681 | S | S | * | * | trans | -115.6 | 110.8 | 178.1 | 47.7 | 0 | 0 | 0 | 0 | 110.1 | S105 I109 | S105-T107 PolarHBondContact O-N 3.32Å; S105-T107 VanDerWaalsContact O-N 3.12Å; S105-T107 PolarHBondContact OG-OG1 2.93Å; T107-I109 PolarHBondContact O-N 2.83Å | ||
| 108 | A | 61.3 | Low | 63 | Low | 88 Ų | 88 | 126.5 Ų | 126.5 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | trans | -81.6 | 105.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | H110 | A108-H110 PolarHBondContact O-N 2.81Š| ||
| 109 | I | 63 | Low | 61.6 | Low | 139 Ų | 139 | 124 Ų | 124 | 71% | 0.713 | 68% | 0.681 | S | S | * | * | trans | -86.9 | 99.2 | 172.3 | -58 | 175.2 | 0 | 0 | 0 | 107.2 | T107 V111 | T107-I109 PolarHBondContact O-N 2.83Å; I109-V111 HydrophobicContact CG2-CG2 3.98Å; I109-V111 PolarHBondContact O-N 3.45Å | ||
| 110 | H | 59.6 | Low | 60 | Low | 143 Ų | 143 | 132.7 Ų | 132.7 | 66% | 0.662 | 70% | 0.704 | S | S | * | * | trans | -83.2 | 108.6 | 165.1 | -85 | 91 | 0 | 0 | 0 | 108.7 | A108 F112 | A108-H110 PolarHBondContact O-N 2.81Å; H110-F112 HydrophobicContact CB-CD2 4.1Å; H110-F112 HydrophobicContact CB-CE2 3.55Å; H110-F112 HydrophobicContact CB-CZ 4.06Å; H110-F112 PolarHBondContact O-N 2.88Å | ||
| 111 | V | 59.7 | Low | 58.8 | Low | 129 Ų | 129 | 137.4 Ų | 137.4 | 78% | 0.782 | 72% | 0.724 | S | S | * | * | trans | -80.5 | 96.7 | 173.3 | -177.7 | 0 | 0 | 0 | 0 | 107.6 | I109 S113 | I109-V111 HydrophobicContact CG2-CG2 3.98Å; I109-V111 PolarHBondContact O-N 3.45Å; V111-S113 PolarHBondContact O-N 2.97Å | ||
| 112 | F | 50.1 | Low | 57.8 | Low | 180 Ų | 180 | 137.6 Ų | 137.6 | 79% | 0.789 | 72% | 0.719 | S | S | * | * | trans | -80.3 | 109.4 | 168.1 | -66.8 | -82 | 0 | 0 | 0 | 108.6 | H110 | H110-F112 HydrophobicContact CB-CD2 4.1Å; H110-F112 HydrophobicContact CB-CE2 3.55Å; H110-F112 HydrophobicContact CB-CZ 4.06Å; H110-F112 PolarHBondContact O-N 2.88Å | ||
| 113 | S | 61 | Low | 56.3 | Low | 91 Ų | 91 | 137.8 Ų | 137.8 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | trans | -75.3 | 131.1 | 168 | -169.9 | 0 | 0 | 0 | 0 | 108.7 | V111 F115 | V111-S113 PolarHBondContact O-N 2.97Å; S113-F115 PolarHBondContact O-N 2.91Å | ||
| 114 | K | 51.3 | Low | 55.4 | Low | 200 Ų | 200 | 140.2 Ų | 140.2 | 87% | 0.87 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -74.8 | 33.7 | 179.7 | -97.3 | -168.9 | 176.6 | -174.6 | 0 | 113.9 | ||
| 115 | F | 48.9 | Very low | 54.1 | Low | 178 Ų | 178 | 139 Ų | 139 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | trans | -133.9 | 49.7 | -178.2 | -79.2 | -80.3 | 0 | 0 | 0 | 111.5 | S113 | S113-F115 PolarHBondContact O-N 2.91Š| ||
| 116 | D | 50.4 | Low | 52.9 | Low | 148 Ų | 148 | 143.8 Ų | 143.8 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | -132.8 | 30.5 | 165.6 | -123.6 | 3 | 0 | 0 | 0 | 111.8 | E118 | D116-E118 PolarHBondContact O-N 3Š| ||
| 117 | D | 51.7 | Low | 52.3 | Low | 167 Ų | 167 | 140.1 Ų | 140.1 | 89% | 0.893 | 74% | 0.742 | S | S | * | * | trans | -87.9 | 60.4 | 154.4 | -74.3 | -36.5 | 0 | 0 | 0 | 108.1 | ||||
| 118 | E | 52.5 | Low | 51.9 | Low | 149 Ų | 149 | 140.7 Ų | 140.7 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | trans | -94.2 | 122.7 | 166.5 | -83.9 | -68.4 | 154.3 | 0 | 0 | 108.3 | D116 Y120 | D116-E118 PolarHBondContact O-N 3Å; E118-Y120 PolarHBondContact O-N 3.24Å | ||
| 119 | P | 44.5 | Very low | 51.5 | Low | 99 Ų | 99 | 139 Ų | 139 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | trans | -62.7 | 129.3 | 177.6 | 26.3 | -32.1 | 0 | 0 | 0 | 109.1 | Q121 | P119-Q121 VanDerWaalsContact C-N 3.29Å; P119-Q121 PolarHBondContact O-N 3.1Å | ||
| 120 | Y | 48.6 | Very low | 51 | Low | 236 Ų | 236 | 139.2 Ų | 139.2 | 93% | 0.925 | 72% | 0.724 | S | S | * | * | trans | -50.5 | 89.9 | 174.3 | -77 | -98.8 | 0 | 0 | 0 | 111.2 | E118 | E118-Y120 PolarHBondContact O-N 3.24Š| ||
| 121 | Q | 49 | Very low | 50.6 | Low | 159 Ų | 159 | 139.8 Ų | 139.8 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | -104.2 | 96.3 | 163.8 | -79.2 | -84.9 | -34.2 | 0 | 0 | 106.1 | P119 K123 | P119-Q121 VanDerWaalsContact C-N 3.29Å; P119-Q121 PolarHBondContact O-N 3.1Å; Q121-K123 PolarHBondContact O-N 2.92Å | ||
| 122 | N | 52.2 | Low | 50.2 | Low | 157 Ų | 157 | 138.6 Ų | 138.6 | 84% | 0.84 | 72% | 0.716 | S | S | * | * | trans | 13.7 | 79.3 | 152.4 | -59.5 | -27 | 0 | 0 | 0 | 115 | ||||
| 123 | K | 42.8 | Very low | 50.6 | Low | 184 Ų | 184 | 135.9 Ų | 135.9 | 80% | 0.8 | 71% | 0.706 | S | S | * | * | trans | -96.6 | 109.9 | 153.4 | -78.5 | -172.4 | 177.7 | 174.3 | 0 | 107.2 | Q121 V125 | Q121-K123 PolarHBondContact O-N 2.92Å; K123-V125 VanDerWaalsContact C-N 3.28Å; K123-V125 HydrophobicContact CB-CG2 4.31Å; K123-V125 PolarHBondContact O-N 2.96Å | ||
| 124 | A | 48.8 | Very low | 50.2 | Low | 107 Ų | 107 | 138.1 Ų | 138.1 | 88% | 0.884 | 70% | 0.704 | S | S | * | * | trans | -60.5 | 96.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 125 | V | 43.3 | Very low | 51 | Low | 86 Ų | 86 | 134.6 Ų | 134.6 | 52% | 0.521 | 69% | 0.691 | S | S | . | * | trans | -107 | 107.7 | 164.7 | 178.9 | 0 | 0 | 0 | 0 | 105.2 | K123 G127 I128 | K123-V125 VanDerWaalsContact C-N 3.28Å; K123-V125 HydrophobicContact CB-CG2 4.31Å; K123-V125 PolarHBondContact O-N 2.96Å; V125-G127 PolarHBondContact O-N 2.84Å; V125-I128 HydrophobicContact CB-CD1 3.93Å; V125-I128 HydrophobicContact CB-CG1 3.98Å; V125-I128 HydrophobicContact CG1-CD1 4.4Å; V125-I128 HydrophobicContact CG1-CG1 4.22Å; V125-I128 WeakPolarHBondContact O-CG1 3.39Å; V125-I128 PolarHBondContact O-N 2.93Å | ||
| 126 | D | 48.6 | Very low | 52 | Low | 172 Ų | 172 | 131.6 Ų | 131.6 | 92% | 0.92 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 45.9 | -165.9 | -138.3 | 18.2 | 0 | 0 | 0 | 113.6 | ||
| 127 | G | 52.2 | Low | 53.2 | Low | 37 Ų | 37 | 127.3 Ų | 127.3 | 38% | 0.381 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -172 | -13.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | V125 | V125-G127 PolarHBondContact O-N 2.84Š|
| 128 | I | 50.9 | Low | 54.3 | Low | 105 Ų | 105 | 123.1 Ų | 123.1 | 54% | 0.538 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -88.9 | -21.7 | 174.8 | 40 | 170.9 | 0 | 0 | 0 | 113 | V125 L132 | V125-I128 HydrophobicContact CB-CD1 3.93Å; V125-I128 HydrophobicContact CB-CG1 3.98Å; V125-I128 HydrophobicContact CG1-CD1 4.4Å; V125-I128 HydrophobicContact CG1-CG1 4.22Å; V125-I128 WeakPolarHBondContact O-CG1 3.39Å; V125-I128 PolarHBondContact O-N 2.93Å; I128-L132 WeakPolarHBondContact O-CB 3.42Å; I128-L132 WeakPolarHBondContact O-CG 3.38Å; I128-L132 PolarHBondContact O-N 2.87Å |
| 129 | A | 51.6 | Low | 55.5 | Low | 54 Ų | 54 | 120.6 Ų | 120.6 | 45% | 0.446 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69 | -35.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q133 | A129-Q133 WeakPolarHBondContact O-CB 3.22Å; A129-Q133 WeakPolarHBondContact O-CG 3.24Å; A129-Q133 PolarHBondContact O-N 2.78Å |
| 130 | E | 52.6 | Low | 57 | Low | 142 Ų | 142 | 121 Ų | 121 | 66% | 0.664 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.3 | -39 | -179 | -61.8 | -173.2 | 166.3 | 0 | 0 | 112 | Q133 F134 | E130-Q133 PolarHBondContact O-N 3.34Å; E130-F134 PolarHBondContact O-N 3.11Å; E130-F134 VanDerWaalsContact O-N 3.09Å |
| 131 | E | 52.6 | Low | 58.2 | Low | 155 Ų | 155 | 114.1 Ų | 114.1 | 72% | 0.724 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -72.8 | -38.6 | 179.1 | -167.5 | 131.9 | -160.1 | 0 | 0 | 112.3 | F134 E135 | E131-F134 PolarHBondContact O-N 3.45Å; E131-E135 PolarHBondContact O-N 2.96Å |
| 132 | L | 50.9 | Low | 59.4 | Low | 104 Ų | 104 | 108.7 Ų | 108.7 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -72.5 | -30.1 | 173.1 | -71.6 | 170.1 | 0 | 0 | 0 | 113 | I128 F134 E135 M136 | I128-L132 WeakPolarHBondContact O-CB 3.42Å; I128-L132 WeakPolarHBondContact O-CG 3.38Å; I128-L132 PolarHBondContact O-N 2.87Å; L132-F134 VanDerWaalsContact C-N 3.34Å; L132-E135 PolarHBondContact O-N 2.86Å; L132-M136 WeakPolarHBondContact O-CG 3.35Å; L132-M136 PolarHBondContact O-N 3.15Å |
| 133 | Q | 57.7 | Low | 60.3 | Low | 123 Ų | 123 | 103.7 Ų | 103.7 | 58% | 0.575 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.2 | -36.6 | 172.8 | -82.8 | 169.9 | 5.4 | 0 | 0 | 111.8 | A129 E130 S137 | A129-Q133 WeakPolarHBondContact O-CB 3.22Å; A129-Q133 WeakPolarHBondContact O-CG 3.24Å; A129-Q133 PolarHBondContact O-N 2.78Å; E130-Q133 PolarHBondContact O-N 3.34Å; Q133-S137 WeakPolarHBondContact O-CB 3.23Å; Q133-S137 PolarHBondContact O-N 2.94Å; Q133-S137 PolarHBondContact O-OG 2.92Å |
| 134 | F | 53.9 | Low | 61.5 | Low | 138 Ų | 138 | 98.5 Ų | 98.5 | 61% | 0.605 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.1 | -45.9 | 174.2 | -167.2 | -97.7 | 0 | 0 | 0 | 111.1 | E130 E131 L132 M136 S137 D138 | E130-F134 PolarHBondContact O-N 3.11Å; E130-F134 VanDerWaalsContact O-N 3.09Å; E131-F134 PolarHBondContact O-N 3.45Å; L132-F134 VanDerWaalsContact C-N 3.34Å; F134-M136 PolarHBondContact O-N 3.15Å; F134-S137 PolarHBondContact O-N 2.95Å; F134-D138 WeakPolarHBondContact CE1-OD2 3.48Å; F134-D138 PolarHBondContact O-N 3.34Å |
| 135 | E | 67.6 | Low | 62.3 | Low | 126 Ų | 126 | 98.5 Ų | 98.5 | 59% | 0.589 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.1 | -38.2 | 178.9 | -165.6 | 176.8 | -169.9 | 0 | 0 | 113 | E131 L132 L139 | E131-E135 PolarHBondContact O-N 2.96Å; L132-E135 PolarHBondContact O-N 2.86Å; E135-L139 VanDerWaalsContact O-CB 3.3Å; E135-L139 WeakPolarHBondContact O-CB 3.39Å; E135-L139 PolarHBondContact O-N 3.49Å |
| 136 | M | 69.1 | Low | 63.3 | Low | 115 Ų | 115 | 100.3 Ų | 100.3 | 57% | 0.567 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.7 | -37.1 | 175 | -75.5 | -78.7 | 94.6 | 0 | 0 | 113.1 | L132 F134 L139 E140 | L132-M136 WeakPolarHBondContact O-CG 3.35Å; L132-M136 PolarHBondContact O-N 3.15Å; F134-M136 PolarHBondContact O-N 3.15Å; M136-L139 HydrophobicContact CE-CD2 3.73Å; M136-E140 VanDerWaalsContact O-CB 3.31Å; M136-E140 WeakPolarHBondContact O-CB 3.42Å; M136-E140 PolarHBondContact O-N 3.13Å |
| 137 | S | 75.8 | Confident | 63.9 | Low | 59 Ų | 59 | 98.2 Ų | 98.2 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.4 | -41.2 | 178.4 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | Q133 F134 E140 N141 | Q133-S137 WeakPolarHBondContact O-CB 3.23Å; Q133-S137 PolarHBondContact O-N 2.94Å; Q133-S137 PolarHBondContact O-OG 2.92Å; F134-S137 PolarHBondContact O-N 2.95Å; S137-E140 PolarHBondContact O-N 2.85Å; S137-N141 WeakPolarHBondContact O-CB 3.2Å; S137-N141 PolarHBondContact O-N 2.9Å; S137-N141 PolarHBondContact O-OD1 3.47Å |
| 138 | D | 76.1 | Confident | 64.3 | Low | 78 Ų | 78 | 99.4 Ų | 99.4 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 175.7 | -78.4 | -10.6 | 0 | 0 | 0 | 111.7 | F134 A142 | F134-D138 WeakPolarHBondContact CE1-OD2 3.48Å; F134-D138 PolarHBondContact O-N 3.34Å; D138-A142 VanDerWaalsContact O-CB 3.25Å; D138-A142 WeakPolarHBondContact O-CB 2.98Å; D138-A142 PolarHBondContact O-N 3.38Å |
| 139 | L | 75.9 | Confident | 64.8 | Low | 96 Ų | 96 | 98.2 Ų | 98.2 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 173.9 | -172.7 | 64.6 | 0 | 0 | 0 | 111.4 | E135 M136 A142 T143 | E135-L139 VanDerWaalsContact O-CB 3.3Å; E135-L139 WeakPolarHBondContact O-CB 3.39Å; E135-L139 PolarHBondContact O-N 3.49Å; M136-L139 HydrophobicContact CE-CD2 3.73Å; L139-A142 PolarHBondContact O-N 2.93Å; L139-T143 HydrophobicContact CD1-CG2 4.46Å; L139-T143 HydrophobicContact CG-CG2 4.47Å; L139-T143 WeakPolarHBondContact O-CB 3.37Å; L139-T143 WeakPolarHBondContact O-CG2 3.44Å; L139-T143 PolarHBondContact O-N 3.23Å; L139-T143 PolarHBondContact O-OG1 2.95Å |
| 140 | E | 77.1 | Confident | 65.1 | Low | 108 Ų | 108 | 99.2 Ų | 99.2 | 51% | 0.505 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -49.8 | 175.2 | -170.9 | 168.1 | -166.8 | 0 | 0 | 110.1 | M136 S137 A142 T143 M144 | M136-E140 VanDerWaalsContact O-CB 3.31Å; M136-E140 WeakPolarHBondContact O-CB 3.42Å; M136-E140 PolarHBondContact O-N 3.13Å; S137-E140 PolarHBondContact O-N 2.85Å; E140-A142 PolarHBondContact O-N 3.15Å; E140-T143 CarbonylContact O-C 3.48Å; E140-T143 PolarHBondContact O-N 2.86Å; E140-T143 VanDerWaalsContact O-N 3.12Å; E140-T143 PolarHBondContact O-OG1 2.89Å; E140-M144 HydrophobicContact CG-CE 3.85Å; E140-M144 HydrophobicContact CG-CG 4.31Å; E140-M144 WeakPolarHBondContact O-CB 3.49Å; E140-M144 VanDerWaalsContact O-CG 3.24Å; E140-M144 WeakPolarHBondContact O-CG 3.24Å; E140-M144 PolarHBondContact O-N 3.07Å; E140-M144 WeakPolarHBondContact OE1-CE 3.29Å |
| 141 | N | 74.2 | Confident | 65.3 | Low | 92 Ų | 92 | 95.9 Ų | 95.9 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.8 | -46.3 | 176.3 | -69.2 | -0.2 | 0 | 0 | 0 | 112.1 | S137 T143 M144 D145 | S137-N141 WeakPolarHBondContact O-CB 3.2Å; S137-N141 PolarHBondContact O-N 2.9Å; S137-N141 PolarHBondContact O-OD1 3.47Å; N141-T143 VanDerWaalsContact C-N 3.33Å; N141-T143 PolarHBondContact O-N 3.28Å; N141-M144 PolarHBondContact O-N 3.01Å; N141-D145 WeakPolarHBondContact O-CB 3.33Å; N141-D145 PolarHBondContact O-N 2.79Å |
| 142 | A | 73.9 | Confident | 65.9 | Low | 45 Ų | 45 | 94.3 Ų | 94.3 | 37% | 0.372 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D138 L139 E140 L146 | D138-A142 VanDerWaalsContact O-CB 3.25Å; D138-A142 WeakPolarHBondContact O-CB 2.98Å; D138-A142 PolarHBondContact O-N 3.38Å; L139-A142 PolarHBondContact O-N 2.93Å; E140-A142 PolarHBondContact O-N 3.15Å; A142-L146 WeakPolarHBondContact O-CB 3.46Å; A142-L146 WeakPolarHBondContact O-CD1 3.26Å; A142-L146 VanDerWaalsContact O-CG 3.29Å; A142-L146 WeakPolarHBondContact O-CG 3.36Å; A142-L146 PolarHBondContact O-N 3.11Å |
| 143 | T | 71.6 | Confident | 67.2 | Low | 51 Ų | 51 | 91.9 Ų | 91.9 | 31% | 0.313 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.8 | -33.7 | 176.2 | 64.5 | 0 | 0 | 0 | 0 | 112.6 | L139 E140 N141 K147 | L139-T143 HydrophobicContact CD1-CG2 4.46Å; L139-T143 HydrophobicContact CG-CG2 4.47Å; L139-T143 WeakPolarHBondContact O-CB 3.37Å; L139-T143 WeakPolarHBondContact O-CG2 3.44Å; L139-T143 PolarHBondContact O-N 3.23Å; L139-T143 PolarHBondContact O-OG1 2.95Å; E140-T143 CarbonylContact O-C 3.48Å; E140-T143 PolarHBondContact O-N 2.86Å; E140-T143 VanDerWaalsContact O-N 3.12Å; E140-T143 PolarHBondContact O-OG1 2.89Å; N141-T143 VanDerWaalsContact C-N 3.33Å; N141-T143 PolarHBondContact O-N 3.28Å; T143-K147 WeakPolarHBondContact O-CB 3.39Å; T143-K147 WeakPolarHBondContact O-CG 3.12Å; T143-K147 PolarHBondContact O-N 2.8Å |
| 144 | M | 68 | Low | 68.7 | Low | 76 Ų | 76 | 87.2 Ų | 87.2 | 37% | 0.374 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.3 | -44.3 | 173.5 | -67 | -53.6 | 179.6 | 0 | 0 | 110.2 | E140 N141 L146 K147 I148 | E140-M144 HydrophobicContact CG-CE 3.85Å; E140-M144 HydrophobicContact CG-CG 4.31Å; E140-M144 WeakPolarHBondContact O-CB 3.49Å; E140-M144 VanDerWaalsContact O-CG 3.24Å; E140-M144 WeakPolarHBondContact O-CG 3.24Å; E140-M144 PolarHBondContact O-N 3.07Å; E140-M144 WeakPolarHBondContact OE1-CE 3.29Å; N141-M144 PolarHBondContact O-N 3.01Å; M144-L146 PolarHBondContact O-N 3.04Å; M144-K147 PolarHBondContact O-N 3.44Å; M144-K147 HydrophobicContact SD-CD 4.46Å; M144-I148 HydrophobicContact CB-CD1 4.5Å; M144-I148 VanDerWaalsContact O-CB 3.25Å; M144-I148 WeakPolarHBondContact O-CB 3.33Å; M144-I148 WeakPolarHBondContact O-CD1 3.37Å; M144-I148 WeakPolarHBondContact O-CG1 3.16Å; M144-I148 PolarHBondContact O-N 2.85Å |
| 145 | D | 64.1 | Low | 70.4 | Confident | 107 Ų | 107 | 83.6 Ų | 83.6 | 57% | 0.572 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.3 | -41 | 176 | -76 | -18.8 | 0 | 0 | 0 | 112.2 | N141 I148 S149 | N141-D145 WeakPolarHBondContact O-CB 3.33Å; N141-D145 PolarHBondContact O-N 2.79Å; D145-I148 PolarHBondContact O-N 2.77Å; D145-S149 VanDerWaalsContact O-CB 3.24Å; D145-S149 WeakPolarHBondContact O-CB 3.41Å; D145-S149 PolarHBondContact O-N 2.9Å |
| 146 | L | 64.9 | Low | 71.7 | Confident | 123 Ų | 123 | 79.2 Ų | 79.2 | 64% | 0.644 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.2 | -42.9 | 173.7 | -77.7 | 165 | 0 | 0 | 0 | 112.4 | A142 M144 S149 S150 | A142-L146 WeakPolarHBondContact O-CB 3.46Å; A142-L146 WeakPolarHBondContact O-CD1 3.26Å; A142-L146 VanDerWaalsContact O-CG 3.29Å; A142-L146 WeakPolarHBondContact O-CG 3.36Å; A142-L146 PolarHBondContact O-N 3.11Å; M144-L146 PolarHBondContact O-N 3.04Å; L146-S149 PolarHBondContact O-N 3.03Å; L146-S150 WeakPolarHBondContact O-CB 3.31Å; L146-S150 PolarHBondContact O-N 3.01Å |
| 147 | K | 61.8 | Low | 72.9 | Confident | 128 Ų | 128 | 78.2 Ų | 78.2 | 56% | 0.557 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.8 | -43.4 | 175.1 | -76.4 | 170.3 | -174.7 | 171.2 | 0 | 111.1 | T143 M144 S150 V151 | T143-K147 WeakPolarHBondContact O-CB 3.39Å; T143-K147 WeakPolarHBondContact O-CG 3.12Å; T143-K147 PolarHBondContact O-N 2.8Å; M144-K147 PolarHBondContact O-N 3.44Å; M144-K147 HydrophobicContact SD-CD 4.46Å; K147-S150 PolarHBondContact O-N 2.81Å; K147-V151 WeakPolarHBondContact O-CB 3.45Å; K147-V151 WeakPolarHBondContact O-CG2 3.41Å; K147-V151 PolarHBondContact O-N 2.86Å |
| 148 | I | 59.7 | Low | 73.8 | Confident | 63 Ų | 63 | 77 Ų | 77 | 32% | 0.323 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 177.4 | -73 | 164.4 | 0 | 0 | 0 | 110.6 | M144 D145 S150 V151 R152 | M144-I148 HydrophobicContact CB-CD1 4.5Å; M144-I148 VanDerWaalsContact O-CB 3.25Å; M144-I148 WeakPolarHBondContact O-CB 3.33Å; M144-I148 WeakPolarHBondContact O-CD1 3.37Å; M144-I148 WeakPolarHBondContact O-CG1 3.16Å; M144-I148 PolarHBondContact O-N 2.85Å; D145-I148 PolarHBondContact O-N 2.77Å; I148-S150 VanDerWaalsContact C-N 3.32Å; I148-S150 PolarHBondContact O-N 3.5Å; I148-V151 CarbonylContact O-C 3.4Å; I148-V151 PolarHBondContact O-N 3.37Å; I148-R152 HydrophobicContact CG2-CG 4.31Å; I148-R152 VanDerWaalsContact O-CB 3.28Å; I148-R152 WeakPolarHBondContact O-CB 3.5Å; I148-R152 VanDerWaalsContact O-CG 3.26Å; I148-R152 WeakPolarHBondContact O-CG 3.48Å; I148-R152 PolarHBondContact O-N 2.79Å |
| 149 | S | 61.6 | Low | 74.6 | Confident | 79 Ų | 79 | 80.2 Ų | 80.2 | 55% | 0.552 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -58.9 | -44 | 175.1 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | D145 L146 V151 R152 S153 | D145-S149 VanDerWaalsContact O-CB 3.24Å; D145-S149 WeakPolarHBondContact O-CB 3.41Å; D145-S149 PolarHBondContact O-N 2.9Å; L146-S149 PolarHBondContact O-N 3.03Å; S149-V151 VanDerWaalsContact C-N 3.33Å; S149-V151 PolarHBondContact O-N 3.06Å; S149-R152 CarbonylContact O-C 3.58Å; S149-R152 PolarHBondContact O-N 2.94Å; S149-S153 PolarHBondContact O-N 3.15Å |
| 150 | S | 58.4 | Low | 75.6 | Confident | 76 Ų | 76 | 78.3 Ų | 78.3 | 53% | 0.531 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.9 | -34.2 | 175.9 | -172.3 | 0 | 0 | 0 | 0 | 113.3 | L146 K147 I148 | L146-S150 WeakPolarHBondContact O-CB 3.31Å; L146-S150 PolarHBondContact O-N 3.01Å; K147-S150 PolarHBondContact O-N 2.81Å; I148-S150 VanDerWaalsContact C-N 3.32Å; I148-S150 PolarHBondContact O-N 3.5Å |
| 151 | V | 56.3 | Low | 76.4 | Confident | 72 Ų | 72 | 73.5 Ų | 73.5 | 44% | 0.436 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -80.1 | -18.3 | 177.7 | 174.5 | 0 | 0 | 0 | 0 | 112.3 | K147 I148 S149 | K147-V151 WeakPolarHBondContact O-CB 3.45Å; K147-V151 WeakPolarHBondContact O-CG2 3.41Å; K147-V151 PolarHBondContact O-N 2.86Å; I148-V151 CarbonylContact O-C 3.4Å; I148-V151 PolarHBondContact O-N 3.37Å; S149-V151 VanDerWaalsContact C-N 3.33Å; S149-V151 PolarHBondContact O-N 3.06Å |
| 152 | R | 65.9 | Low | 77.4 | Confident | 121 Ų | 121 | 71.5 Ų | 71.5 | 46% | 0.457 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -109.3 | 8.4 | -179.2 | -65.9 | -179.7 | -177.1 | 161.1 | 5.3 | 113.6 | I148 S149 | I148-R152 HydrophobicContact CG2-CG 4.31Å; I148-R152 VanDerWaalsContact O-CB 3.28Å; I148-R152 WeakPolarHBondContact O-CB 3.5Å; I148-R152 VanDerWaalsContact O-CG 3.26Å; I148-R152 WeakPolarHBondContact O-CG 3.48Å; I148-R152 PolarHBondContact O-N 2.79Å; S149-R152 CarbonylContact O-C 3.58Å; S149-R152 PolarHBondContact O-N 2.94Å |
| 153 | S | 77.6 | Confident | 78.4 | Confident | 53 Ų | 53 | 72.6 Ų | 72.6 | 37% | 0.371 | 40% | 0.396 | S | S | . | . | trans | -62.2 | 140.1 | 178.6 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | S149 H278 F279 | S149-S153 PolarHBondContact O-N 3.15Å; S153-H278 CarbonylContact O-C 3.58Å; S153-H278 WeakPolarHBondContact O-CA 3.08Å; S153-F279 PolarHBondContact O-N 3.17Å | ||
| 154 | L | 88.4 | Confident | 79.5 | Confident | 26 Ų | 26 | 73.5 Ų | 73.5 | 14% | 0.136 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 149.5 | 177.7 | -76.2 | 168.5 | 0 | 0 | 0 | 109.6 | L184 L242 I252 K277 | L154-L184 HydrophobicContact CB-CD2 3.62Å; L154-L184 VanDerWaalsContact O-CD2 3.31Å; L154-L184 WeakPolarHBondContact O-CD2 3.41Å; L154-L242 HydrophobicContact CD1-CD1 3.69Å; L154-I252 HydrophobicContact CD1-CD1 3.67Å; L154-I252 HydrophobicContact CD2-CD1 3.9Å; L154-I252 HydrophobicContact CG-CD1 4.48Å; L154-K277 CarbonylContact C-O 3.57Å; L154-K277 WeakPolarHBondContact CA-O 3.29Å |
| 155 | V | 91 | Very high | 80.8 | Confident | 61 Ų | 61 | 77.3 Ų | 77.3 | 37% | 0.37 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 148.8 | 178.3 | 54.8 | 0 | 0 | 0 | 0 | 110.5 | D157 L276 K277 F279 | V155-D157 PolarHBondContact O-N 3.03Å; V155-L276 CarbonylContact O-C 3.52Å; V155-L276 WeakPolarHBondContact O-CA 3.45Å; V155-K277 HydrophobicContact CG1-CB 4.27Å; V155-K277 WeakPolarHBondContact CG1-O 3.32Å; V155-K277 PolarHBondContact N-O 2.99Å; V155-K277 PolarHBondContact O-N 3.2Å; V155-F279 HydrophobicContact CG1-CB 4.13Å; V155-F279 HydrophobicContact CG1-CD2 4.32Å |
| 156 | L | 94.2 | Very high | 82.3 | Confident | 34 Ų | 34 | 77.5 Ų | 77.5 | 18% | 0.178 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 122.7 | 173.5 | -55.1 | 179.4 | 0 | 0 | 0 | 109.9 | F158 C182 L184 L189 L276 | L156-F158 HydrophobicContact CB-CD1 4.32Å; L156-F158 HydrophobicContact CB-CE1 3.94Å; L156-F158 HydrophobicContact CB-CZ 4.28Å; L156-F158 HydrophobicContact CD1-CZ 4.23Å; L156-F158 HydrophobicContact CD2-CE1 3.89Å; L156-F158 HydrophobicContact CD2-CZ 4.08Å; L156-F158 HydrophobicContact CG-CE1 4.37Å; L156-F158 HydrophobicContact CG-CZ 4.43Å; L156-C182 HydrophobicContact CD1-CB 4.21Å; L156-C182 VanDerWaalsContact CD1-O 3.24Å; L156-C182 WeakPolarHBondContact CD1-O 3.38Å; L156-L184 HydrophobicContact CD2-CB 4.06Å; L156-L184 HydrophobicContact CG-CB 4.26Å; L156-L189 HydrophobicContact CD2-CD1 3.6Å; L156-L276 HydrophobicContact CD2-CG 4.37Å |
| 157 | D | 93.8 | Very high | 83.7 | Confident | 95 Ų | 95 | 74.5 Ų | 74.5 | 51% | 0.508 | 40% | 0.395 | S | S | . | . | trans | -104.8 | 44.3 | -179.1 | -162.4 | 24 | 0 | 0 | 0 | 111.8 | V155 P275 K277 | V155-D157 PolarHBondContact O-N 3.03Å; D157-P275 HydrophobicContact CB-CG 4.19Å; D157-P275 PolarHBondContact N-O 3.21Å; D157-K277 HydrophobicContact CB-CB 3.94Å | ||
| 158 | F | 94.4 | Very high | 85.3 | Confident | 32 Ų | 32 | 69 Ų | 69 | 14% | 0.14 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -149.3 | 153.8 | 176.6 | 59.4 | -89.9 | 0 | 0 | 0 | 111.7 | L156 L179 C182 F254 Y274 P275 | L156-F158 HydrophobicContact CB-CD1 4.32Å; L156-F158 HydrophobicContact CB-CE1 3.94Å; L156-F158 HydrophobicContact CB-CZ 4.28Å; L156-F158 HydrophobicContact CD1-CZ 4.23Å; L156-F158 HydrophobicContact CD2-CE1 3.89Å; L156-F158 HydrophobicContact CD2-CZ 4.08Å; L156-F158 HydrophobicContact CG-CE1 4.37Å; L156-F158 HydrophobicContact CG-CZ 4.43Å; F158-L179 HydrophobicContact CE2-CD2 3.86Å; F158-L179 HydrophobicContact CZ-CD2 4.16Å; F158-C182 HydrophobicContact CE2-CB 4.28Å; F158-C182 HydrophobicContact CZ-CB 3.91Å; F158-F254 HydrophobicContact CE1-CE1 4.18Å; F158-F254 HydrophobicContact CE1-CZ 4.38Å; F158-F254 HydrophobicContact CZ-CE1 4.34Å; F158-F254 HydrophobicContact CZ-CZ 4.11Å; F158-Y274 HydrophobicContact CD1-CD1 4.1Å; F158-Y274 AromaticContact CD2-CD1 3.69Å; F158-Y274 HydrophobicContact CD2-CD1 3.69Å; F158-Y274 HydrophobicContact CD2-CE1 4.19Å; F158-Y274 HydrophobicContact CE1-CD1 4.13Å; F158-Y274 HydrophobicContact CE1-CG 4.45Å; F158-Y274 AromaticContact CE2-CD1 3.74Å; F158-Y274 HydrophobicContact CE2-CD1 3.74Å; F158-Y274 HydrophobicContact CE2-CE1 4.3Å; F158-Y274 AromaticContact CG-CD1 3.88Å; F158-Y274 HydrophobicContact CG-CD1 3.88Å; F158-Y274 AromaticContact CZ-CD1 3.96Å; F158-Y274 HydrophobicContact CZ-CD1 3.96Å; F158-Y274 HydrophobicContact CZ-CG 4.44Å; F158-P275 WeakPolarHBondContact CD1-O 3.41Å |
| 159 | K | 94.1 | Very high | 87 | Confident | 147 Ų | 147 | 72.1 Ų | 72.1 | 64% | 0.639 | 38% | 0.379 | S | S | * | . | trans | -71.4 | 132.2 | 171.6 | -177.2 | -177.1 | 173.7 | -171.8 | 0 | 109.2 | P161 A163 | K159-P161 WeakPolarHBondContact O-CD 3.32Å; K159-A163 HydrophobicContact CG-CB 4.44Å | ||
| 160 | Q | 95.8 | Very high | 88.6 | Confident | 56 Ų | 56 | 72.1 Ų | 72.1 | 26% | 0.262 | 37% | 0.373 | S | S | . | . | trans | -55.2 | 123.7 | 174.2 | -66.3 | -66.1 | -11 | 0 | 0 | 110.6 | S162 A163 C182 | Q160-S162 VanDerWaalsContact C-N 3.32Å; Q160-S162 PolarHBondContact O-N 3.16Å; Q160-A163 HydrophobicContact CB-CB 4.31Å; Q160-A163 WeakPolarHBondContact O-CB 3.34Å; Q160-A163 PolarHBondContact O-N 3.36Å; Q160-C182 PolarHBondContact NE2-O 2.69Å | ||
| 161 | P | 95.3 | Very high | 90.3 | Very high | 6 Ų | 6 | 69.6 Ų | 69.6 | 4% | 0.039 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -53 | -45.5 | 179.7 | -34.1 | 40.3 | 0 | 0 | 0 | 114.1 | K159 A163 D164 F168 L179 Y274 | K159-P161 WeakPolarHBondContact O-CD 3.32Å; P161-A163 PolarHBondContact O-N 3.31Å; P161-A163 VanDerWaalsContact O-N 3.09Å; P161-D164 PolarHBondContact O-N 3.09Å; P161-D164 VanDerWaalsContact O-N 3.16Å; P161-F168 HydrophobicContact CB-CD2 4.02Å; P161-L179 WeakPolarHBondContact CB-O 3.29Å; P161-L179 HydrophobicContact CG-CB 4.03Å; P161-L179 HydrophobicContact CG-CD2 4.14Å; P161-L179 HydrophobicContact CG-CG 4.17Å; P161-L179 VanDerWaalsContact CG-O 3.32Å; P161-L179 WeakPolarHBondContact CG-O 3.33Å; P161-Y274 HydrophobicContact CG-CE1 4.21Å |
| 162 | S | 94.1 | Very high | 92.2 | Very high | 50 Ų | 50 | 66.8 Ų | 66.8 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -62.5 | -13.9 | 177.9 | 45.7 | 0 | 0 | 0 | 0 | 114.6 | Q160 D164 E180 | Q160-S162 VanDerWaalsContact C-N 3.32Å; Q160-S162 PolarHBondContact O-N 3.16Å; S162-D164 PolarHBondContact O-N 3.17Å; S162-E180 WeakPolarHBondContact CB-O 3.36Å; S162-E180 PolarHBondContact N-O 2.85Å; S162-E180 PolarHBondContact OG-O 2.92Å |
| 163 | A | 94.7 | Very high | 93.6 | Very high | 68 Ų | 68 | 65.1 Ų | 65.1 | 56% | 0.562 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -69.9 | -17.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K159 Q160 P161 | K159-A163 HydrophobicContact CG-CB 4.44Å; Q160-A163 HydrophobicContact CB-CB 4.31Å; Q160-A163 WeakPolarHBondContact O-CB 3.34Å; Q160-A163 PolarHBondContact O-N 3.36Å; P161-A163 PolarHBondContact O-N 3.31Å; P161-A163 VanDerWaalsContact O-N 3.09Å |
| 164 | D | 95.7 | Very high | 94.4 | Very high | 70 Ų | 70 | 71.9 Ų | 71.9 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -123.6 | 94 | 167.8 | -169 | -29.8 | 0 | 0 | 0 | 109.7 | P161 S162 L166 D167 F168 | P161-D164 PolarHBondContact O-N 3.09Å; P161-D164 VanDerWaalsContact O-N 3.16Å; S162-D164 PolarHBondContact O-N 3.17Å; D164-L166 VanDerWaalsContact C-N 3.32Å; D164-L166 PolarHBondContact O-N 3.29Å; D164-L166 PolarHBondContact OD1-N 2.79Å; D164-D167 HydrophobicContact CB-CB 4.11Å; D164-D167 PolarHBondContact OD1-N 3.18Å; D164-D167 VanDerWaalsContact OD1-N 3.17Å; D164-F168 WeakPolarHBondContact O-CB 3.49Å; D164-F168 PolarHBondContact O-N 2.88Å |
| 165 | Y | 94.4 | Very high | 94.7 | Very high | 156 Ų | 156 | 72.9 Ų | 72.9 | 61% | 0.612 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.9 | -36.8 | -174.7 | 176.5 | -104.5 | 0 | 0 | 0 | 113.4 | R169 | Y165-R169 VanDerWaalsContact O-CB 3.23Å; Y165-R169 WeakPolarHBondContact O-CB 3.19Å; Y165-R169 PolarHBondContact O-N 3.28Å |
| 166 | L | 95.8 | Very high | 95 | Very high | 111 Ų | 111 | 70.5 Ų | 70.5 | 58% | 0.581 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -72.9 | -45.3 | -176.1 | -175 | 62.7 | 0 | 0 | 0 | 110.6 | D164 R169 N170 | D164-L166 VanDerWaalsContact C-N 3.32Å; D164-L166 PolarHBondContact O-N 3.29Å; D164-L166 PolarHBondContact OD1-N 2.79Å; L166-R169 PolarHBondContact O-N 2.85Å; L166-N170 WeakPolarHBondContact O-CB 3.24Å; L166-N170 PolarHBondContact O-N 3.41Å; L166-N170 PolarHBondContact O-ND2 2.77Å; L166-N170 VanDerWaalsContact O-ND2 3.15Å |
| 167 | D | 94.9 | Very high | 95.1 | Very high | 60 Ų | 60 | 68.9 Ų | 68.9 | 32% | 0.321 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.7 | -52.1 | 173.4 | -178.5 | 59.8 | 0 | 0 | 0 | 110.9 | D164 R169 N170 R171 | D164-D167 HydrophobicContact CB-CB 4.11Å; D164-D167 PolarHBondContact OD1-N 3.18Å; D164-D167 VanDerWaalsContact OD1-N 3.17Å; D167-R169 VanDerWaalsContact C-N 3.32Å; D167-R169 PolarHBondContact O-N 2.79Å; D167-N170 PolarHBondContact O-N 2.86Å; D167-R171 WeakPolarHBondContact O-CG 3.41Å; D167-R171 PolarHBondContact O-N 3.1Å; D167-R171 IonicContact OD2-CZ 3.6Å; D167-R171 IonicContact OD2-NE 3.51Å; D167-R171 IonicContact OD2-NH1 2.78Å; D167-R171 PolarHBondContact OD2-NH1 2.85Å |
| 168 | F | 95.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 64.4 Ų | 64.4 | 6% | 0.057 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -52.1 | -48.6 | 177.8 | 169.2 | -107 | 0 | 0 | 0 | 112.6 | P161 D164 N170 R171 L172 S178 L179 E180 K194 | P161-F168 HydrophobicContact CB-CD2 4.02Å; D164-F168 WeakPolarHBondContact O-CB 3.49Å; D164-F168 PolarHBondContact O-N 2.88Å; F168-N170 PolarHBondContact O-N 3.14Å; F168-R171 PolarHBondContact O-N 2.82Å; F168-L172 HydrophobicContact CZ-CD2 4.48Å; F168-L172 WeakPolarHBondContact O-CB 3.21Å; F168-L172 PolarHBondContact O-N 3.44Å; F168-S178 WeakPolarHBondContact CD2-OG 3.27Å; F168-S178 WeakPolarHBondContact CE2-OG 3.23Å; F168-L179 WeakPolarHBondContact CE2-O 3.25Å; F168-E180 HydrophobicContact CE2-CB 4.22Å; F168-E180 HydrophobicContact CZ-CB 4.08Å; F168-E180 HydrophobicContact CZ-CG 4.08Å; F168-K194 HydrophobicContact CE1-CG 4.33Å; F168-K194 HydrophobicContact CZ-CB 3.82Å; F168-K194 HydrophobicContact CZ-CG 3.64Å |
| 169 | R | 94.9 | Very high | 95.5 | Very high | 128 Ų | 128 | 62.9 Ų | 62.9 | 48% | 0.483 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 178.6 | -176.6 | -178.1 | 176.2 | -173.4 | 1 | 111.5 | Y165 L166 D167 L172 I173 | Y165-R169 VanDerWaalsContact O-CB 3.23Å; Y165-R169 WeakPolarHBondContact O-CB 3.19Å; Y165-R169 PolarHBondContact O-N 3.28Å; L166-R169 PolarHBondContact O-N 2.85Å; D167-R169 VanDerWaalsContact C-N 3.32Å; D167-R169 PolarHBondContact O-N 2.79Å; R169-L172 PolarHBondContact O-N 3.36Å; R169-I173 HydrophobicContact CG-CD1 3.89Å; R169-I173 HydrophobicContact CG-CG1 4.49Å; R169-I173 VanDerWaalsContact O-CG1 3.26Å; R169-I173 WeakPolarHBondContact O-CG1 3.44Å; R169-I173 PolarHBondContact O-N 2.79Å |
| 170 | N | 95.1 | Very high | 95.6 | Very high | 79 Ų | 79 | 57.9 Ų | 57.9 | 42% | 0.422 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 179 | -72.5 | -26 | 0 | 0 | 0 | 111.6 | L166 D167 F168 I173 R174 | L166-N170 WeakPolarHBondContact O-CB 3.24Å; L166-N170 PolarHBondContact O-N 3.41Å; L166-N170 PolarHBondContact O-ND2 2.77Å; L166-N170 VanDerWaalsContact O-ND2 3.15Å; D167-N170 PolarHBondContact O-N 2.86Å; F168-N170 PolarHBondContact O-N 3.14Å; N170-I173 PolarHBondContact O-N 2.69Å; N170-R174 WeakPolarHBondContact O-CB 3.37Å; N170-R174 PolarHBondContact O-N 3.26Å |
| 171 | R | 95.4 | Very high | 95.6 | Very high | 24 Ų | 24 | 58 Ų | 58 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 174.7 | -64.9 | -169.7 | -26.2 | -137 | 10.8 | 111.8 | D167 F168 I173 R174 N175 S178 | D167-R171 WeakPolarHBondContact O-CG 3.41Å; D167-R171 PolarHBondContact O-N 3.1Å; D167-R171 IonicContact OD2-CZ 3.6Å; D167-R171 IonicContact OD2-NE 3.51Å; D167-R171 IonicContact OD2-NH1 2.78Å; D167-R171 PolarHBondContact OD2-NH1 2.85Å; F168-R171 PolarHBondContact O-N 2.82Å; R171-I173 VanDerWaalsContact C-N 3.32Å; R171-I173 PolarHBondContact O-N 2.57Å; R171-R174 PolarHBondContact O-N 2.81Å; R171-N175 WeakPolarHBondContact O-CB 3.39Å; R171-N175 PolarHBondContact O-N 3.08Å; R171-S178 PolarHBondContact NH2-OG 2.95Å |
| 172 | L | 95.8 | Very high | 95.7 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 176.7 | -178.8 | 61.1 | 0 | 0 | 0 | 112 | F168 R169 C176 K194 R196 T233 | F168-L172 HydrophobicContact CZ-CD2 4.48Å; F168-L172 WeakPolarHBondContact O-CB 3.21Å; F168-L172 PolarHBondContact O-N 3.44Å; R169-L172 PolarHBondContact O-N 3.36Å; L172-C176 WeakPolarHBondContact O-CA 3.4Å; L172-C176 PolarHBondContact O-N 2.98Å; L172-K194 HydrophobicContact CD1-CB 4.06Å; L172-K194 VanDerWaalsContact CD1-O 3.24Å; L172-K194 WeakPolarHBondContact CD1-O 3.08Å; L172-K194 HydrophobicContact CD2-CB 3.76Å; L172-R196 HydrophobicContact CD1-CG 4.39Å; L172-R196 HydrophobicContact CG-CG 4.32Å; L172-R196 WeakPolarHBondContact O-CD 3.43Å; L172-T233 HydrophobicContact CD2-CG2 3.79Å |
| 173 | I | 94.8 | Very high | 95.8 | Very high | 86 Ų | 86 | 58.7 Ų | 58.7 | 44% | 0.441 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 176.4 | -70.2 | 167.6 | 0 | 0 | 0 | 111 | R169 N170 R171 | R169-I173 HydrophobicContact CG-CD1 3.89Å; R169-I173 HydrophobicContact CG-CG1 4.49Å; R169-I173 VanDerWaalsContact O-CG1 3.26Å; R169-I173 WeakPolarHBondContact O-CG1 3.44Å; R169-I173 PolarHBondContact O-N 2.79Å; N170-I173 PolarHBondContact O-N 2.69Å; R171-I173 VanDerWaalsContact C-N 3.32Å; R171-I173 PolarHBondContact O-N 2.57Å |
| 174 | R | 94.4 | Very high | 95.7 | Very high | 195 Ų | 195 | 57.2 Ų | 57.2 | 74% | 0.736 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -72.6 | -47.8 | -176.9 | -173.3 | -174.3 | -65.9 | 179.5 | 0.6 | 112.9 | N170 R171 | N170-R174 WeakPolarHBondContact O-CB 3.37Å; N170-R174 PolarHBondContact O-N 3.26Å; R171-R174 PolarHBondContact O-N 2.81Å |
| 175 | N | 95.3 | Very high | 95.4 | Very high | 48 Ų | 48 | 60.9 Ų | 60.9 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -100.9 | -4.5 | -168.6 | -58.9 | -13.5 | 0 | 0 | 0 | 112.6 | R171 V177 Y265 | R171-N175 WeakPolarHBondContact O-CB 3.39Å; R171-N175 PolarHBondContact O-N 3.08Å; N175-V177 PolarHBondContact O-N 3Å; N175-Y265 WeakPolarHBondContact O-CB 3.17Å |
| 176 | C | 96.5 | Very high | 95 | Very high | 11 Ų | 11 | 61.8 Ų | 61.8 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | S | Bend | trans | 63.5 | -9.2 | -176.5 | -59.2 | 0 | 0 | 0 | 0 | 116.1 | L172 V195 R196 F258 Y265 | L172-C176 WeakPolarHBondContact O-CA 3.4Å; L172-C176 PolarHBondContact O-N 2.98Å; C176-V195 CarbonylContact O-C 3.58Å; C176-V195 VanDerWaalsContact O-CA 3.29Å; C176-V195 WeakPolarHBondContact O-CA 3.43Å; C176-R196 HydrophobicContact CB-CB 4.36Å; C176-R196 PolarHBondContact O-N 3.34Å; C176-F258 HydrophobicContact CB-CD1 4.25Å; C176-F258 HydrophobicContact CB-CE1 4.18Å; C176-Y265 HydrophobicContact CB-CD1 3.9Å; C176-Y265 HydrophobicContact CB-CD2 4.16Å; C176-Y265 HydrophobicContact CB-CE1 4.13Å; C176-Y265 HydrophobicContact CB-CE2 4.38Å; C176-Y265 HydrophobicContact CB-CG 3.91Å |
| 177 | V | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 141.7 | 176.5 | 54.1 | 0 | 0 | 0 | 0 | 109.6 | N175 I193 K194 V195 I256 F258 D267 | N175-V177 PolarHBondContact O-N 3Å; V177-I193 HydrophobicContact CG2-CG2 3.78Å; V177-K194 WeakPolarHBondContact CA-O 3.23Å; V177-V195 HydrophobicContact CB-CG1 4.11Å; V177-V195 HydrophobicContact CG2-CG1 3.89Å; V177-I256 HydrophobicContact CG2-CB 4.34Å; V177-I256 HydrophobicContact CG2-CG2 3.6Å; V177-F258 HydrophobicContact CB-CB 3.76Å; V177-F258 HydrophobicContact CB-CD1 4.13Å; V177-F258 HydrophobicContact CB-CG 4.31Å; V177-F258 HydrophobicContact CG1-CB 3.92Å; V177-F258 HydrophobicContact CG2-CB 4.03Å; V177-D267 HydrophobicContact CG1-CB 4.05Å; V177-D267 HydrophobicContact CG2-CB 4.34Å |
| 178 | S | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 140.2 | 167.3 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | F168 R171 E180 K194 D267 | F168-S178 WeakPolarHBondContact CD2-OG 3.27Å; F168-S178 WeakPolarHBondContact CE2-OG 3.23Å; R171-S178 PolarHBondContact NH2-OG 2.95Å; S178-E180 PolarHBondContact O-N 3Å; S178-K194 PolarHBondContact N-O 3.42Å; S178-K194 PolarHBondContact O-N 2.84Å; S178-D267 WeakPolarHBondContact CA-OD2 3.4Å |
| 179 | L | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 135 | 162.2 | -176.2 | 68 | 0 | 0 | 0 | 108.8 | F158 P161 F168 C182 I193 F238 F254 I256 D267 Y274 | F158-L179 HydrophobicContact CE2-CD2 3.86Å; F158-L179 HydrophobicContact CZ-CD2 4.16Å; P161-L179 WeakPolarHBondContact CB-O 3.29Å; P161-L179 HydrophobicContact CG-CB 4.03Å; P161-L179 HydrophobicContact CG-CD2 4.14Å; P161-L179 HydrophobicContact CG-CG 4.17Å; P161-L179 VanDerWaalsContact CG-O 3.32Å; P161-L179 WeakPolarHBondContact CG-O 3.33Å; F168-L179 WeakPolarHBondContact CE2-O 3.25Å; L179-C182 HydrophobicContact CD1-CB 4.41Å; L179-C182 HydrophobicContact CD2-CB 4.12Å; L179-I193 HydrophobicContact CD1-CG1 4.23Å; L179-F238 HydrophobicContact CD1-CE1 3.78Å; L179-F238 HydrophobicContact CD1-CZ 4.21Å; L179-F254 HydrophobicContact CD1-CE2 4.45Å; L179-F254 HydrophobicContact CD2-CE2 4.21Å; L179-F254 HydrophobicContact CD2-CZ 4.12Å; L179-I256 HydrophobicContact CB-CD1 3.55Å; L179-I256 HydrophobicContact CD1-CD1 4.05Å; L179-I256 HydrophobicContact CG-CD1 4.38Å; L179-D267 PolarHBondContact N-OD2 3.12Å; L179-Y274 HydrophobicContact CB-CE1 4.23Å; L179-Y274 HydrophobicContact CB-CE2 3.96Å; L179-Y274 WeakPolarHBondContact CB-OH 3.46Å; L179-Y274 HydrophobicContact CD2-CD1 3.66Å; L179-Y274 HydrophobicContact CD2-CD2 4.2Å; L179-Y274 HydrophobicContact CD2-CE1 3.49Å; L179-Y274 VanDerWaalsContact CD2-CE1 3.49Å; L179-Y274 HydrophobicContact CD2-CE2 4.04Å; L179-Y274 HydrophobicContact CD2-CG 4.02Å |
| 180 | E | 96.4 | Very high | 94.7 | Very high | 42 Ų | 42 | 55.3 Ų | 55.3 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -58.5 | 177.5 | -175.2 | -178.7 | -165.3 | 0 | 0 | 110.3 | S162 F168 S178 T192 K194 | S162-E180 WeakPolarHBondContact CB-O 3.36Å; S162-E180 PolarHBondContact N-O 2.85Å; S162-E180 PolarHBondContact OG-O 2.92Å; F168-E180 HydrophobicContact CE2-CB 4.22Å; F168-E180 HydrophobicContact CZ-CB 4.08Å; F168-E180 HydrophobicContact CZ-CG 4.08Å; S178-E180 PolarHBondContact O-N 3Å; E180-T192 WeakPolarHBondContact CB-O 3.01Å; E180-T192 PolarHBondContact N-O 3.41Å; E180-T192 PolarHBondContact OE2-OG1 2.75Å; E180-T192 VanDerWaalsContact OE2-OG1 3.06Å; E180-K194 HydrophobicContact CB-CG 4.21Å; E180-K194 VanDerWaalsContact CD-CE 3.42Å; E180-K194 HydrophobicContact CG-CG 4.35Å; E180-K194 WeakPolarHBondContact OE1-CE 3.44Å; E180-K194 WeakPolarHBondContact OE2-CE 3.33Å |
| 181 | N | 95.9 | Very high | 94.9 | Very high | 60 Ų | 60 | 51.9 Ų | 51.9 | 32% | 0.321 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 153.9 | 177.9 | 43.1 | 61.4 | 0 | 0 | 0 | 110.5 | G191 T192 | N181-G191 CarbonylContact O-C 3.54Å; N181-G191 WeakPolarHBondContact O-CA 3.32Å; N181-T192 PolarHBondContact N-O 3.46Å; N181-T192 PolarHBondContact ND2-OG1 3.3Å; N181-T192 PolarHBondContact O-N 3.18Å; N181-T192 PolarHBondContact OD1-N 2.95Å; N181-T192 PolarHBondContact OD1-OG1 2.96Å |
| 182 | C | 96.9 | Very high | 95 | Very high | 7 Ų | 7 | 52 Ų | 52 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 142.2 | 179.9 | -176.4 | 0 | 0 | 0 | 0 | 110.3 | L156 F158 Q160 L179 L189 T190 | L156-C182 HydrophobicContact CD1-CB 4.21Å; L156-C182 VanDerWaalsContact CD1-O 3.24Å; L156-C182 WeakPolarHBondContact CD1-O 3.38Å; F158-C182 HydrophobicContact CE2-CB 4.28Å; F158-C182 HydrophobicContact CZ-CB 3.91Å; Q160-C182 PolarHBondContact NE2-O 2.69Å; L179-C182 HydrophobicContact CD1-CB 4.41Å; L179-C182 HydrophobicContact CD2-CB 4.12Å; C182-L189 WeakPolarHBondContact SG-CD1 3.27Å; C182-T190 CarbonylContact C-O 3.5Å; C182-T190 VanDerWaalsContact CA-O 3.31Å; C182-T190 WeakPolarHBondContact CA-O 3.49Å; C182-T190 PolarHBondContact SG-O 3.04Å; C182-T190 VanDerWaalsContact SG-O 3.36Å |
| 183 | S | 95.6 | Very high | 95.1 | Very high | 62 Ų | 62 | 51.4 Ų | 51.4 | 43% | 0.434 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 140.2 | 176.8 | 39.1 | 0 | 0 | 0 | 0 | 109.7 | T190 | S183-T190 PolarHBondContact N-O 3.46Å; S183-T190 PolarHBondContact O-N 2.82Å; S183-T190 PolarHBondContact O-OG1 2.88Å; S183-T190 PolarHBondContact OG-OG1 3.22Å |
| 184 | L | 93.9 | Very high | 95.2 | Very high | 37 Ų | 37 | 48.4 Ų | 48.4 | 19% | 0.194 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 118 | 173.2 | 178.1 | 57.4 | 0 | 0 | 0 | 108.3 | L154 L156 L189 L242 L276 | L154-L184 HydrophobicContact CB-CD2 3.62Å; L154-L184 VanDerWaalsContact O-CD2 3.31Å; L154-L184 WeakPolarHBondContact O-CD2 3.41Å; L156-L184 HydrophobicContact CD2-CB 4.06Å; L156-L184 HydrophobicContact CG-CB 4.26Å; L184-L189 HydrophobicContact CB-CD1 3.94Å; L184-L189 HydrophobicContact CD1-CB 4.15Å; L184-L189 HydrophobicContact CD1-CD1 4.18Å; L184-L242 HydrophobicContact CD1-CD1 3.61Å; L184-L242 HydrophobicContact CD2-CD1 4.38Å; L184-L276 HydrophobicContact CD2-CD2 3.89Å |
| 185 | Q | 89.6 | Confident | 95.3 | Very high | 147 Ų | 147 | 39.1 Ų | 39.1 | 69% | 0.687 | 20% | 0.201 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 113.8 | 174.6 | -174.1 | 169.7 | 12.6 | 0 | 0 | 108.5 | R187 S188 | Q185-R187 PolarHBondContact O-N 3.43Å; Q185-S188 PolarHBondContact N-O 3.44Å; Q185-S188 PolarHBondContact O-N 2.77Å |
| 186 | E | 85.1 | Confident | 95.3 | Very high | 175 Ų | 175 | 41.4 Ų | 41.4 | 82% | 0.818 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55 | -101.2 | -173.3 | -58 | 172.9 | -170.6 | 0 | 0 | 111.3 | ||
| 187 | R | 88.7 | Confident | 95.1 | Very high | 105 Ų | 105 | 44.3 Ų | 44.3 | 40% | 0.396 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | -1.3 | 176.2 | -60.5 | -171.7 | -62.7 | 109.2 | 6 | 113.2 | Q185 E241 L242 | Q185-R187 PolarHBondContact O-N 3.43Å; R187-E241 IonicContact CZ-OE1 3.04Å; R187-E241 IonicContact NH1-OE1 3.93Å; R187-E241 PolarHBondContact NH1-OE1 2.94Å; R187-E241 IonicContact NH2-OE1 3.76Å; R187-E241 PolarHBondContact NH2-OE1 3.25Å; R187-L242 HydrophobicContact CB-CB 4.4Å; R187-L242 PolarHBondContact NH1-O 2.73Å; R187-L242 PolarHBondContact O-N 3.49Å |
| 188 | S | 93.3 | Very high | 94.9 | Very high | 33 Ų | 33 | 46.8 Ų | 46.8 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 113 | 176.7 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | Q185 E239 | Q185-S188 PolarHBondContact N-O 3.44Å; Q185-S188 PolarHBondContact O-N 2.77Å; S188-E239 PolarHBondContact OG-OE1 3.35Å; S188-E239 VanDerWaalsContact OG-OE1 3.1Å |
| 189 | L | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 116.3 | 172.5 | -176.2 | 74.7 | 0 | 0 | 0 | 108.3 | L156 C182 L184 F238 E239 L240 L242 F254 L276 | L156-L189 HydrophobicContact CD2-CD1 3.6Å; C182-L189 WeakPolarHBondContact SG-CD1 3.27Å; L184-L189 HydrophobicContact CB-CD1 3.94Å; L184-L189 HydrophobicContact CD1-CB 4.15Å; L184-L189 HydrophobicContact CD1-CD1 4.18Å; L189-F238 HydrophobicContact CD2-CE2 4.39Å; L189-F238 HydrophobicContact CG-CE2 4.22Å; L189-E239 WeakPolarHBondContact O-CA 3.34Å; L189-L240 HydrophobicContact CB-CD1 3.67Å; L189-L240 HydrophobicContact CB-CG 3.84Å; L189-L240 HydrophobicContact CD2-CD1 3.85Å; L189-L240 HydrophobicContact CD2-CD2 3.98Å; L189-L240 HydrophobicContact CD2-CG 4.04Å; L189-L240 HydrophobicContact CG-CD1 4.34Å; L189-L240 HydrophobicContact CG-CG 4.34Å; L189-L240 PolarHBondContact N-O 3.38Å; L189-L240 PolarHBondContact O-N 3.04Å; L189-L242 HydrophobicContact CB-CG 4.49Å; L189-F254 HydrophobicContact CD2-CD1 3.91Å; L189-F254 HydrophobicContact CD2-CE1 3.79Å; L189-F254 HydrophobicContact CD2-CZ 4.47Å; L189-L276 HydrophobicContact CD1-CD2 4.35Å; L189-L276 HydrophobicContact CD2-CD1 4.33Å; L189-L276 HydrophobicContact CD2-CD2 4.4Å |
| 190 | T | 97.7 | Very high | 94.4 | Very high | 39 Ų | 39 | 58.1 Ų | 58.1 | 24% | 0.239 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 155.8 | -177.6 | 48.7 | 0 | 0 | 0 | 0 | 109.9 | C182 S183 F238 E239 | C182-T190 CarbonylContact C-O 3.5Å; C182-T190 VanDerWaalsContact CA-O 3.31Å; C182-T190 WeakPolarHBondContact CA-O 3.49Å; C182-T190 PolarHBondContact SG-O 3.04Å; C182-T190 VanDerWaalsContact SG-O 3.36Å; S183-T190 PolarHBondContact N-O 3.46Å; S183-T190 PolarHBondContact O-N 2.82Å; S183-T190 PolarHBondContact O-OG1 2.88Å; S183-T190 PolarHBondContact OG-OG1 3.22Å; T190-F238 WeakPolarHBondContact CA-O 3.29Å; T190-E239 HydrophobicContact CG2-CB 4.08Å; T190-E239 HydrophobicContact CG2-CG 3.84Å |
| 191 | G | 97.4 | Very high | 94.4 | Very high | 7 Ų | 7 | 64.2 Ų | 64.2 | 7% | 0.072 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.2 | 170.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N181 A237 F238 | N181-G191 CarbonylContact O-C 3.54Å; N181-G191 WeakPolarHBondContact O-CA 3.32Å; G191-A237 WeakPolarHBondContact O-CA 3.47Å; G191-F238 VanDerWaalsContact CA-CE1 3.47Å; G191-F238 PolarHBondContact N-O 3.15Å; G191-F238 VanDerWaalsContact N-O 3.14Å; G191-F238 WeakPolarHBondContact O-CD1 3.4Å; G191-F238 PolarHBondContact O-N 3.45Å |
| 192 | T | 97.5 | Very high | 94.4 | Very high | 25 Ų | 25 | 63 Ų | 63 | 15% | 0.153 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 147.9 | 173.2 | 65.4 | 0 | 0 | 0 | 0 | 111.1 | E180 N181 L224 F236 | E180-T192 WeakPolarHBondContact CB-O 3.01Å; E180-T192 PolarHBondContact N-O 3.41Å; E180-T192 PolarHBondContact OE2-OG1 2.75Å; E180-T192 VanDerWaalsContact OE2-OG1 3.06Å; N181-T192 PolarHBondContact N-O 3.46Å; N181-T192 PolarHBondContact ND2-OG1 3.3Å; N181-T192 PolarHBondContact O-N 3.18Å; N181-T192 PolarHBondContact OD1-N 2.95Å; N181-T192 PolarHBondContact OD1-OG1 2.96Å; T192-L224 HydrophobicContact CG2-CD1 4.19Å; T192-F236 CarbonylContact C-O 3.5Å; T192-F236 VanDerWaalsContact CA-O 3.27Å; T192-F236 WeakPolarHBondContact CA-O 3.43Å |
| 193 | I | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 131.3 | -174 | -60.9 | 163.7 | 0 | 0 | 0 | 106.7 | V177 L179 V195 V204 V206 T235 F236 F238 I256 | V177-I193 HydrophobicContact CG2-CG2 3.78Å; L179-I193 HydrophobicContact CD1-CG1 4.23Å; I193-V195 HydrophobicContact CG2-CG1 4.17Å; I193-V204 HydrophobicContact CD1-CG1 3.99Å; I193-V204 HydrophobicContact CG2-CG1 4.15Å; I193-V206 HydrophobicContact CD1-CG2 3.8Å; I193-T235 CarbonylContact O-C 3.52Å; I193-T235 WeakPolarHBondContact O-CA 3.2Å; I193-F236 HydrophobicContact CB-CB 4.43Å; I193-F236 PolarHBondContact N-O 3.47Å; I193-F236 PolarHBondContact O-N 3.25Å; I193-F238 HydrophobicContact CD1-CD1 3.58Å; I193-F238 HydrophobicContact CD1-CE1 4.04Å; I193-F238 HydrophobicContact CG1-CD1 3.94Å; I193-F238 HydrophobicContact CG1-CE1 4.05Å; I193-I256 HydrophobicContact CD1-CD1 4.03Å; I193-I256 HydrophobicContact CD1-CG1 3.98Å; I193-I256 HydrophobicContact CD1-CG2 3.94Å; I193-I256 HydrophobicContact CG1-CD1 3.81Å; I193-I256 HydrophobicContact CG1-CG1 4.32Å; I193-I256 HydrophobicContact CG2-CD1 4.23Å; I193-I256 HydrophobicContact CG2-CG2 4Å |
| 194 | K | 96.8 | Very high | 94.5 | Very high | 24 Ų | 24 | 62.1 Ų | 62.1 | 10% | 0.104 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 136.9 | 168.7 | -69.5 | -68.1 | -174.7 | 171.9 | 0 | 109.7 | F168 L172 V177 S178 E180 D234 T235 | F168-K194 HydrophobicContact CE1-CG 4.33Å; F168-K194 HydrophobicContact CZ-CB 3.82Å; F168-K194 HydrophobicContact CZ-CG 3.64Å; L172-K194 HydrophobicContact CD1-CB 4.06Å; L172-K194 VanDerWaalsContact CD1-O 3.24Å; L172-K194 WeakPolarHBondContact CD1-O 3.08Å; L172-K194 HydrophobicContact CD2-CB 3.76Å; V177-K194 WeakPolarHBondContact CA-O 3.23Å; S178-K194 PolarHBondContact N-O 3.42Å; S178-K194 PolarHBondContact O-N 2.84Å; E180-K194 HydrophobicContact CB-CG 4.21Å; E180-K194 VanDerWaalsContact CD-CE 3.42Å; E180-K194 HydrophobicContact CG-CG 4.35Å; E180-K194 WeakPolarHBondContact OE1-CE 3.44Å; E180-K194 WeakPolarHBondContact OE2-CE 3.33Å; K194-D234 WeakPolarHBondContact CA-O 3.39Å; K194-T235 HydrophobicContact CD-CG2 4.22Å; K194-T235 WeakPolarHBondContact CD-OG1 3.24Å; K194-T235 WeakPolarHBondContact CE-OG1 3.5Å; K194-T235 PolarHBondContact NZ-OG1 3.34Å |
| 195 | V | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 151 | 170.8 | -58.6 | 0 | 0 | 0 | 0 | 110 | C176 V177 I193 K202 V204 T233 D234 F236 F258 | C176-V195 CarbonylContact O-C 3.58Å; C176-V195 VanDerWaalsContact O-CA 3.29Å; C176-V195 WeakPolarHBondContact O-CA 3.43Å; V177-V195 HydrophobicContact CB-CG1 4.11Å; V177-V195 HydrophobicContact CG2-CG1 3.89Å; I193-V195 HydrophobicContact CG2-CG1 4.17Å; V195-K202 HydrophobicContact CG2-CD 3.95Å; V195-V204 HydrophobicContact CG1-CG2 3.82Å; V195-T233 CarbonylContact O-C 3.52Å; V195-T233 WeakPolarHBondContact O-CA 3.48Å; V195-D234 HydrophobicContact CG2-CB 3.79Å; V195-D234 PolarHBondContact N-O 3.42Å; V195-D234 PolarHBondContact O-N 3.37Å; V195-F236 HydrophobicContact CG1-CD2 4.49Å; V195-F236 HydrophobicContact CG2-CD2 3.8Å; V195-F236 HydrophobicContact CG2-CE2 3.54Å; V195-F258 HydrophobicContact CB-CD1 4.15Å; V195-F258 HydrophobicContact CB-CD2 4.37Å; V195-F258 HydrophobicContact CB-CE1 4.01Å; V195-F258 HydrophobicContact CB-CE2 4.25Å; V195-F258 HydrophobicContact CB-CG 4.32Å; V195-F258 HydrophobicContact CB-CZ 4.05Å; V195-F258 HydrophobicContact CG1-CB 4.32Å; V195-F258 HydrophobicContact CG1-CD1 4.15Å; V195-F258 HydrophobicContact CG1-CD2 4.05Å; V195-F258 HydrophobicContact CG1-CE1 4.48Å; V195-F258 HydrophobicContact CG1-CE2 4.4Å; V195-F258 HydrophobicContact CG1-CG 3.91Å; V195-F258 HydrophobicContact CG2-CE2 4.31Å; V195-F258 HydrophobicContact CG2-CZ 4.28Å |
| 196 | R | 95.6 | Very high | 95.2 | Very high | 96 Ų | 96 | 54.7 Ų | 54.7 | 36% | 0.362 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 137.9 | 171.8 | -72.8 | -169.2 | 67.9 | -166.3 | -6.9 | 110.7 | L172 C176 V198 | L172-R196 HydrophobicContact CD1-CG 4.39Å; L172-R196 HydrophobicContact CG-CG 4.32Å; L172-R196 WeakPolarHBondContact O-CD 3.43Å; C176-R196 HydrophobicContact CB-CB 4.36Å; C176-R196 PolarHBondContact O-N 3.34Å; R196-V198 VanDerWaalsContact C-N 3.25Å; R196-V198 HydrophobicContact CB-CG1 3.95Å; R196-V198 PolarHBondContact O-N 3.25Å |
| 197 | N | 93.3 | Very high | 95.8 | Very high | 72 Ų | 72 | 49 Ų | 49 | 39% | 0.385 | 23% | 0.232 | S | C | . | . | trans | -81 | 70.5 | 177.6 | -169.6 | 12 | 0 | 0 | 0 | 111.2 | K202 Q231 D232 D234 | N197-K202 PolarHBondContact OD1-NZ 3.04Å; N197-Q231 PolarHBondContact ND2-O 2.97Å; N197-D232 PolarHBondContact N-O 3.24Å; N197-D234 PolarHBondContact OD1-OD2 3.42Å | ||
| 198 | V | 92.9 | Very high | 96.2 | Very high | 51 Ų | 51 | 44 Ų | 44 | 31% | 0.309 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -93.3 | -13.1 | -178.6 | -62.1 | 0 | 0 | 0 | 0 | 114 | R196 F258 V260 Q261 | R196-V198 VanDerWaalsContact C-N 3.25Å; R196-V198 HydrophobicContact CB-CG1 3.95Å; R196-V198 PolarHBondContact O-N 3.25Å; V198-F258 HydrophobicContact CG2-CZ 4.44Å; V198-V260 HydrophobicContact CG2-CB 4.32Å; V198-V260 HydrophobicContact CG2-CG1 3.52Å; V198-V260 HydrophobicContact CG2-CG2 3.87Å; V198-Q261 PolarHBondContact O-NE2 2.97Å |
| 199 | G | 92.7 | Very high | 96.3 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 9% | 0.093 | 20% | 0.202 | C | C | . | . | trans | -168.3 | 151.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K202 Q261 | G199-K202 WeakPolarHBondContact O-CE 3.42Å; G199-K202 WeakPolarHBondContact O-CG 3.32Å; G199-K202 PolarHBondContact O-NZ 2.92Å; G199-Q261 VanDerWaalsContact CA-NE2 3.27Å | ||
| 200 | Y | 92.1 | Very high | 96.2 | Very high | 229 Ų | 229 | 44.7 Ų | 44.7 | 90% | 0.898 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -66.1 | -50.5 | -172.8 | -178.2 | -103.7 | 0 | 0 | 0 | 113.3 | K202 | Y200-K202 PolarHBondContact O-N 3.46Š|
| 201 | E | 95.7 | Very high | 95.9 | Very high | 171 Ų | 171 | 44.4 Ų | 44.4 | 80% | 0.799 | 21% | 0.209 | S | C | * | . | trans | -78.2 | 110.3 | 180 | -170.1 | 172 | -171.5 | 0 | 0 | 110.5 | ||||
| 202 | K | 96.2 | Very high | 95.7 | Very high | 34 Ų | 34 | 46.5 Ų | 46.5 | 15% | 0.148 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.8 | -176.2 | -63.1 | -172.5 | -172.1 | 75.5 | 0 | 109.7 | V195 N197 G199 Y200 D234 F236 F258 V260 | V195-K202 HydrophobicContact CG2-CD 3.95Å; N197-K202 PolarHBondContact OD1-NZ 3.04Å; G199-K202 WeakPolarHBondContact O-CE 3.42Å; G199-K202 WeakPolarHBondContact O-CG 3.32Å; G199-K202 PolarHBondContact O-NZ 2.92Å; Y200-K202 PolarHBondContact O-N 3.46Å; K202-D234 WeakPolarHBondContact CE-OD2 3.15Å; K202-D234 IonicContact NZ-OD2 3.28Å; K202-D234 PolarHBondContact NZ-OD2 3.34Å; K202-F236 HydrophobicContact CB-CZ 3.9Å; K202-F236 HydrophobicContact CD-CE2 4.21Å; K202-F236 HydrophobicContact CD-CZ 4.28Å; K202-F258 HydrophobicContact CB-CE2 3.9Å; K202-F258 HydrophobicContact CD-CE2 3.91Å; K202-F258 HydrophobicContact CD-CZ 4.07Å; K202-F258 HydrophobicContact CG-CE2 3.84Å; K202-F258 HydrophobicContact CG-CZ 4.25Å; K202-V260 HydrophobicContact CG-CG2 4.27Å |
| 203 | S | 97.5 | Very high | 95.5 | Very high | 47 Ų | 47 | 49.3 Ų | 49.3 | 33% | 0.329 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 118.8 | 168.7 | 168.7 | 0 | 0 | 0 | 0 | 108.1 | K259 | S203-K259 PolarHBondContact N-O 2.87Å; S203-K259 PolarHBondContact O-N 2.98Å |
| 204 | V | 98.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.4 | 176.6 | -175.8 | 0 | 0 | 0 | 0 | 107.1 | I193 V195 C221 F236 I256 C257 F258 | I193-V204 HydrophobicContact CD1-CG1 3.99Å; I193-V204 HydrophobicContact CG2-CG1 4.15Å; V195-V204 HydrophobicContact CG1-CG2 3.82Å; V204-C221 HydrophobicContact CB-CB 3.99Å; V204-C221 HydrophobicContact CG1-CB 4.04Å; V204-C221 WeakPolarHBondContact O-CB 3.19Å; V204-C221 PolarHBondContact O-N 3.02Å; V204-C221 PolarHBondContact O-SG 3.29Å; V204-F236 HydrophobicContact CB-CB 4.38Å; V204-F236 HydrophobicContact CB-CD1 3.98Å; V204-F236 HydrophobicContact CB-CE1 4.42Å; V204-F236 HydrophobicContact CB-CG 4.05Å; V204-F236 HydrophobicContact CG1-CB 4.41Å; V204-F236 HydrophobicContact CG2-CB 4.47Å; V204-F236 HydrophobicContact CG2-CD1 3.87Å; V204-F236 HydrophobicContact CG2-CD2 3.76Å; V204-F236 HydrophobicContact CG2-CE1 3.99Å; V204-F236 HydrophobicContact CG2-CE2 3.9Å; V204-F236 HydrophobicContact CG2-CG 3.76Å; V204-F236 HydrophobicContact CG2-CZ 4.01Å; V204-I256 HydrophobicContact CG1-CG2 3.96Å; V204-C257 CarbonylContact C-O 3.51Å; V204-C257 WeakPolarHBondContact CA-O 3.17Å; V204-F258 HydrophobicContact CG2-CD2 3.79Å; V204-F258 HydrophobicContact CG2-CE2 4.43Å |
| 205 | Q | 98.4 | Very high | 95.3 | Very high | 28 Ų | 28 | 57.6 Ų | 57.6 | 13% | 0.131 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 138.1 | -177.8 | -53.4 | -176.4 | -66.8 | 0 | 0 | 109.2 | V219 D220 C257 | Q205-V219 CarbonylContact C-O 3.59Å; Q205-V219 VanDerWaalsContact CA-O 3.24Å; Q205-V219 WeakPolarHBondContact CA-O 3.48Å; Q205-D220 WeakPolarHBondContact CG-OD1 3.25Å; Q205-D220 PolarHBondContact NE2-OD1 3.12Å; Q205-C257 HydrophobicContact CB-CB 4.41Å; Q205-C257 PolarHBondContact N-O 2.84Å; Q205-C257 PolarHBondContact O-N 3.33Å |
| 206 | V | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 121.7 | 165.4 | 174.5 | 0 | 0 | 0 | 0 | 107.9 | I193 D218 V219 F238 L240 F254 I256 | I193-V206 HydrophobicContact CD1-CG2 3.8Å; V206-D218 WeakPolarHBondContact O-CA 3.31Å; V206-V219 PolarHBondContact N-O 3.46Å; V206-V219 PolarHBondContact O-N 2.86Å; V206-F238 HydrophobicContact CG2-CB 3.9Å; V206-F238 HydrophobicContact CG2-CD1 3.71Å; V206-F238 HydrophobicContact CG2-CD2 3.99Å; V206-F238 HydrophobicContact CG2-CE1 4.16Å; V206-F238 HydrophobicContact CG2-CE2 4.42Å; V206-F238 HydrophobicContact CG2-CG 3.59Å; V206-F238 HydrophobicContact CG2-CZ 4.5Å; V206-L240 HydrophobicContact CG1-CD2 3.89Å; V206-F254 HydrophobicContact CG1-CB 3.94Å; V206-F254 HydrophobicContact CG1-CD2 3.79Å; V206-F254 HydrophobicContact CG1-CG 4.15Å; V206-I256 HydrophobicContact CG2-CG1 4.34Å |
| 207 | R | 98.1 | Very high | 95.3 | Very high | 56 Ų | 56 | 60.6 Ų | 60.6 | 21% | 0.211 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 119.9 | 171.7 | 179.3 | 168.4 | -70.3 | -178 | -5.7 | 108.7 | W213 F216 S217 D218 F254 C255 W266 | R207-W213 HydrophobicContact CG-CH2 4.31Å; R207-W213 HydrophobicContact CG-CZ3 3.86Å; R207-F216 HydrophobicContact CG-CB 3.92Å; R207-F216 HydrophobicContact CG-CD2 4.06Å; R207-F216 HydrophobicContact CG-CG 4.21Å; R207-S217 WeakPolarHBondContact CA-O 3.28Å; R207-D218 VanDerWaalsContact CB-OD1 3.23Å; R207-D218 WeakPolarHBondContact CB-OD1 3.36Å; R207-D218 VanDerWaalsContact CG-OD1 3.22Å; R207-D218 WeakPolarHBondContact CG-OD1 3.1Å; R207-D218 IonicContact CZ-OD1 3.61Å; R207-D218 IonicContact CZ-OD2 2.79Å; R207-D218 IonicContact NE-OD1 3.04Å; R207-D218 PolarHBondContact NE-OD1 3.43Å; R207-D218 IonicContact NE-OD2 2.77Å; R207-D218 IonicContact NH2-OD1 3.43Å; R207-D218 PolarHBondContact NH2-OD1 3.42Å; R207-D218 IonicContact NH2-OD2 3.89Å; R207-D218 PolarHBondContact NH2-OD2 3.28Å; R207-F254 CarbonylContact O-C 3.6Å; R207-F254 WeakPolarHBondContact O-CA 3.39Å; R207-F254 WeakPolarHBondContact O-CB 3.36Å; R207-C255 PolarHBondContact N-O 2.85Å; R207-C255 PolarHBondContact O-N 3.4Å; R207-W266 HydrophobicContact CB-CZ3 4.32Å |
| 208 | V | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144.5 | -178.9 | 61.6 | 0 | 0 | 0 | 0 | 110.8 | Y210 F216 S217 L240 F254 | V208-Y210 HydrophobicContact CG1-CE2 4.15Å; V208-Y210 HydrophobicContact CG2-CE1 3.89Å; V208-Y210 HydrophobicContact CG2-CE2 4.5Å; V208-F216 CarbonylContact O-C 3.59Å; V208-F216 VanDerWaalsContact O-CA 3.3Å; V208-F216 WeakPolarHBondContact O-CA 3.26Å; V208-S217 WeakPolarHBondContact CG1-OG 3.44Å; V208-S217 PolarHBondContact N-O 3.48Å; V208-S217 PolarHBondContact O-N 3.2Å; V208-L240 HydrophobicContact CB-CD2 4.49Å; V208-L240 HydrophobicContact CG1-CD2 4.48Å; V208-F254 HydrophobicContact CB-CB 4Å; V208-F254 HydrophobicContact CG2-CB 4.18Å |
| 209 | T | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 148.8 | 171.7 | 165 | 0 | 0 | 0 | 0 | 109.9 | D211 S212 W213 T215 I252 E253 | T209-D211 PolarHBondContact OG1-N 3.2Å; T209-D211 PolarHBondContact OG1-OD1 3.24Å; T209-S212 PolarHBondContact OG1-N 3.43Å; T209-W213 HydrophobicContact CG2-CD2 3.51Å; T209-W213 VanDerWaalsContact CG2-CE2 3.44Å; T209-W213 HydrophobicContact CG2-CE3 3.97Å; T209-W213 HydrophobicContact CG2-CG 3.84Å; T209-W213 HydrophobicContact CG2-CH2 4.23Å; T209-W213 HydrophobicContact CG2-CZ2 3.83Å; T209-W213 HydrophobicContact CG2-CZ3 4.31Å; T209-W213 PolarHBondContact OG1-N 3.43Å; T209-T215 WeakPolarHBondContact CB-O 3.24Å; T209-T215 PolarHBondContact OG1-O 3.05Å; T209-I252 WeakPolarHBondContact O-CA 3.32Å; T209-E253 HydrophobicContact CG2-CB 4.04Å; T209-E253 VanDerWaalsContact CG2-O 3.24Å; T209-E253 WeakPolarHBondContact CG2-O 3.38Å; T209-E253 PolarHBondContact N-O 2.8Å; T209-E253 PolarHBondContact O-N 2.78Å |
| 210 | Y | 93.9 | Very high | 96 | Very high | 47 Ų | 47 | 64.4 Ų | 64.4 | 18% | 0.184 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -119.4 | 2.3 | 173.3 | -49.5 | -76.8 | 0 | 0 | 0 | 112.9 | V208 L242 P243 T246 N250 I252 | V208-Y210 HydrophobicContact CG1-CE2 4.15Å; V208-Y210 HydrophobicContact CG2-CE1 3.89Å; V208-Y210 HydrophobicContact CG2-CE2 4.5Å; Y210-L242 HydrophobicContact CE1-CD2 3.72Å; Y210-P243 VanDerWaalsContact CD1-CD 3.47Å; Y210-P243 HydrophobicContact CD1-CG 3.77Å; Y210-P243 HydrophobicContact CD2-CG 4.15Å; Y210-P243 HydrophobicContact CE1-CG 3.87Å; Y210-P243 HydrophobicContact CE2-CG 4.24Å; Y210-P243 HydrophobicContact CG-CG 3.9Å; Y210-T246 VanDerWaalsContact O-CG2 3.29Å; Y210-T246 WeakPolarHBondContact O-CG2 3.2Å; Y210-N250 VanDerWaalsContact O-CB 3.23Å; Y210-N250 WeakPolarHBondContact O-CB 3.48Å; Y210-N250 PolarHBondContact O-ND2 3.45Å; Y210-I252 HydrophobicContact CD1-CG2 4.04Å; Y210-I252 HydrophobicContact CE1-CG2 4.43Å |
| 211 | D | 92.1 | Very high | 96.3 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -139.5 | 35.4 | -171.7 | 65 | -0.3 | 0 | 0 | 0 | 113 | T209 V214 T215 | T209-D211 PolarHBondContact OG1-N 3.2Å; T209-D211 PolarHBondContact OG1-OD1 3.24Å; D211-V214 HydrophobicContact CB-CB 4.48Å; D211-V214 WeakPolarHBondContact O-CG2 3.09Å; D211-V214 PolarHBondContact OD1-N 2.99Å; D211-T215 VanDerWaalsContact CG-N 3.34Å; D211-T215 VanDerWaalsContact CG-OG1 3.23Å; D211-T215 PolarHBondContact OD1-N 3.23Å; D211-T215 PolarHBondContact OD1-OG1 3.48Å; D211-T215 WeakPolarHBondContact OD2-CB 3.31Å; D211-T215 WeakPolarHBondContact OD2-CG2 3.19Å; D211-T215 PolarHBondContact OD2-N 2.73Å; D211-T215 VanDerWaalsContact OD2-N 3.11Å; D211-T215 PolarHBondContact OD2-OG1 3.09Å |
| 212 | S | 92.5 | Very high | 96.4 | Very high | 51 Ų | 51 | 50 Ų | 50 | 36% | 0.357 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 43.1 | 179.2 | -49.1 | 0 | 0 | 0 | 0 | 114 | T209 V214 R251 | T209-S212 PolarHBondContact OG1-N 3.43Å; S212-V214 VanDerWaalsContact C-N 3.32Å; S212-V214 PolarHBondContact O-N 3.38Å; S212-R251 PolarHBondContact N-O 2.91Å; S212-R251 PolarHBondContact OG-N 3.45Å |
| 213 | W | 94.1 | Very high | 96.4 | Very high | 84 Ų | 84 | 53.4 Ų | 53.4 | 32% | 0.318 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 19.2 | 177.4 | -60.7 | 97.8 | 0 | 0 | 0 | 115.4 | R207 T209 E253 C255 N273 | R207-W213 HydrophobicContact CG-CH2 4.31Å; R207-W213 HydrophobicContact CG-CZ3 3.86Å; T209-W213 HydrophobicContact CG2-CD2 3.51Å; T209-W213 VanDerWaalsContact CG2-CE2 3.44Å; T209-W213 HydrophobicContact CG2-CE3 3.97Å; T209-W213 HydrophobicContact CG2-CG 3.84Å; T209-W213 HydrophobicContact CG2-CH2 4.23Å; T209-W213 HydrophobicContact CG2-CZ2 3.83Å; T209-W213 HydrophobicContact CG2-CZ3 4.31Å; T209-W213 PolarHBondContact OG1-N 3.43Å; W213-E253 HydrophobicContact CZ2-CB 4.26Å; W213-E253 PolarHBondContact NE1-OE2 2.79Å; W213-C255 HydrophobicContact CH2-CB 4.45Å; W213-C255 VanDerWaalsContact CH2-SG 3.57Å; W213-N273 HydrophobicContact CZ2-CB 4.47Å; W213-N273 WeakPolarHBondContact CZ2-ND2 3.42Å; W213-N273 PolarHBondContact NE1-ND2 3.29Å |
| 214 | V | 93.3 | Very high | 96.2 | Very high | 118 Ų | 118 | 54.7 Ų | 54.7 | 72% | 0.715 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -73.5 | -41.8 | 170.2 | 175.9 | 0 | 0 | 0 | 0 | 109.8 | D211 S212 | D211-V214 HydrophobicContact CB-CB 4.48Å; D211-V214 WeakPolarHBondContact O-CG2 3.09Å; D211-V214 PolarHBondContact OD1-N 2.99Å; S212-V214 VanDerWaalsContact C-N 3.32Å; S212-V214 PolarHBondContact O-N 3.38Å |
| 215 | T | 95.4 | Very high | 95.7 | Very high | 80 Ų | 80 | 60.5 Ų | 60.5 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -126.9 | 157.1 | 170.7 | 65.6 | 0 | 0 | 0 | 0 | 110.5 | T209 D211 | T209-T215 WeakPolarHBondContact CB-O 3.24Å; T209-T215 PolarHBondContact OG1-O 3.05Å; D211-T215 VanDerWaalsContact CG-N 3.34Å; D211-T215 VanDerWaalsContact CG-OG1 3.23Å; D211-T215 PolarHBondContact OD1-N 3.23Å; D211-T215 PolarHBondContact OD1-OG1 3.48Å; D211-T215 WeakPolarHBondContact OD2-CB 3.31Å; D211-T215 WeakPolarHBondContact OD2-CG2 3.19Å; D211-T215 PolarHBondContact OD2-N 2.73Å; D211-T215 VanDerWaalsContact OD2-N 3.11Å; D211-T215 PolarHBondContact OD2-OG1 3.09Å |
| 216 | F | 96.6 | Very high | 94.8 | Very high | 115 Ų | 115 | 62.9 Ų | 62.9 | 50% | 0.504 | 34% | 0.335 | S | S | . | . | trans | -142.9 | 152.2 | 176.7 | 62.4 | -94.4 | 0 | 0 | 0 | 110.6 | R207 V208 | R207-F216 HydrophobicContact CG-CB 3.92Å; R207-F216 HydrophobicContact CG-CD2 4.06Å; R207-F216 HydrophobicContact CG-CG 4.21Å; V208-F216 CarbonylContact O-C 3.59Å; V208-F216 VanDerWaalsContact O-CA 3.3Å; V208-F216 WeakPolarHBondContact O-CA 3.26Å | ||
| 217 | S | 96.8 | Very high | 93.6 | Very high | 44 Ų | 44 | 68.4 Ų | 68.4 | 31% | 0.308 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 137.2 | 170.2 | 55.4 | 0 | 0 | 0 | 0 | 109.9 | R207 V208 | R207-S217 WeakPolarHBondContact CA-O 3.28Å; V208-S217 WeakPolarHBondContact CG1-OG 3.44Å; V208-S217 PolarHBondContact N-O 3.48Å; V208-S217 PolarHBondContact O-N 3.2Å |
| 218 | D | 97.8 | Very high | 92.5 | Very high | 61 Ų | 61 | 76 Ų | 76 | 33% | 0.326 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.1 | 176.2 | -67.8 | -24 | 0 | 0 | 0 | 109.3 | V206 R207 | V206-D218 WeakPolarHBondContact O-CA 3.31Å; R207-D218 VanDerWaalsContact CB-OD1 3.23Å; R207-D218 WeakPolarHBondContact CB-OD1 3.36Å; R207-D218 VanDerWaalsContact CG-OD1 3.22Å; R207-D218 WeakPolarHBondContact CG-OD1 3.1Å; R207-D218 IonicContact CZ-OD1 3.61Å; R207-D218 IonicContact CZ-OD2 2.79Å; R207-D218 IonicContact NE-OD1 3.04Å; R207-D218 PolarHBondContact NE-OD1 3.43Å; R207-D218 IonicContact NE-OD2 2.77Å; R207-D218 IonicContact NH2-OD1 3.43Å; R207-D218 PolarHBondContact NH2-OD1 3.42Å; R207-D218 IonicContact NH2-OD2 3.89Å; R207-D218 PolarHBondContact NH2-OD2 3.28Å |
| 219 | V | 97.6 | Very high | 91.3 | Very high | 38 Ų | 38 | 77.4 Ų | 77.4 | 23% | 0.23 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 123.3 | 178.6 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | Q205 V206 L240 | Q205-V219 CarbonylContact C-O 3.59Å; Q205-V219 VanDerWaalsContact CA-O 3.24Å; Q205-V219 WeakPolarHBondContact CA-O 3.48Å; V206-V219 PolarHBondContact N-O 3.46Å; V206-V219 PolarHBondContact O-N 2.86Å; V219-L240 HydrophobicContact CG2-CB 4.23Å |
| 220 | D | 97.9 | Very high | 90.4 | Very high | 113 Ų | 113 | 80.8 Ų | 80.8 | 60% | 0.604 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 136.9 | 178.2 | -69.5 | -39.2 | 0 | 0 | 0 | 111.6 | Q205 | Q205-D220 WeakPolarHBondContact CG-OD1 3.25Å; Q205-D220 PolarHBondContact NE2-OD1 3.12Å |
| 221 | C | 98.1 | Very high | 89.9 | Confident | 16 Ų | 16 | 86.8 Ų | 86.8 | 11% | 0.108 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -93.6 | 145.3 | 177.7 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | V204 F236 A237 | V204-C221 HydrophobicContact CB-CB 3.99Å; V204-C221 HydrophobicContact CG1-CB 4.04Å; V204-C221 WeakPolarHBondContact O-CB 3.19Å; V204-C221 PolarHBondContact O-N 3.02Å; V204-C221 PolarHBondContact O-SG 3.29Å; C221-F236 HydrophobicContact CB-CB 3.95Å; C221-F236 HydrophobicContact CB-CD1 4.24Å; C221-A237 CarbonylContact C-O 3.49Å; C221-A237 VanDerWaalsContact CA-O 3.31Å; C221-A237 WeakPolarHBondContact CA-O 3.24Å; C221-A237 WeakPolarHBondContact CB-O 3.48Å |
| 222 | S | 97.4 | Very high | 89.7 | Confident | 81 Ų | 81 | 90.6 Ų | 90.6 | 57% | 0.566 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 132.5 | 177.1 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | L224 F236 A237 | S222-L224 PolarHBondContact O-N 3.02Å; S222-F236 CarbonylContact O-C 3.5Å; S222-F236 VanDerWaalsContact O-CA 3.25Å; S222-F236 WeakPolarHBondContact O-CA 3.36Å; S222-A237 PolarHBondContact N-O 3.47Å; S222-A237 PolarHBondContact O-N 3.02Å |
| 223 | F | 96.2 | Very high | 89.8 | Confident | 105 Ų | 105 | 89.6 Ų | 89.6 | 46% | 0.461 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 129.7 | 174.1 | 173.9 | -110.7 | 0 | 0 | 0 | 111 | N225 D234 F236 | F223-N225 HydrophobicContact CE1-CB 3.92Å; F223-D234 HydrophobicContact CD2-CB 4.29Å; F223-D234 HydrophobicContact CE2-CB 3.79Å; F223-F236 HydrophobicContact CB-CD1 4.1Å; F223-F236 HydrophobicContact CB-CE1 3.7Å; F223-F236 HydrophobicContact CB-CZ 4.07Å; F223-F236 HydrophobicContact CD2-CD2 4.43Å; F223-F236 HydrophobicContact CD2-CE1 4.31Å; F223-F236 AromaticContact CD2-CE2 3.93Å; F223-F236 HydrophobicContact CD2-CE2 3.93Å; F223-F236 AromaticContact CD2-CZ 3.86Å; F223-F236 HydrophobicContact CD2-CZ 3.86Å; F223-F236 HydrophobicContact CG-CE1 4.49Å; F223-F236 HydrophobicContact CG-CZ 4.4Å |
| 224 | L | 93.4 | Very high | 89.9 | Confident | 75 Ų | 75 | 86.8 Ų | 86.8 | 39% | 0.393 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 110.5 | 173.4 | -68.8 | -174.9 | 0 | 0 | 0 | 109.9 | T192 S222 N226 T235 A237 | T192-L224 HydrophobicContact CG2-CD1 4.19Å; S222-L224 PolarHBondContact O-N 3.02Å; L224-N226 PolarHBondContact O-N 3.46Å; L224-T235 HydrophobicContact CD1-CG2 4.35Å; L224-T235 PolarHBondContact N-O 3.24Å; L224-A237 HydrophobicContact CD1-CB 3.65Å; L224-A237 HydrophobicContact CD2-CB 4.17Å; L224-A237 HydrophobicContact CG-CB 3.81Å |
| 225 | N | 87.6 | Confident | 90 | Very high | 125 Ų | 125 | 81.7 Ų | 81.7 | 67% | 0.668 | 44% | 0.439 | S | S | * | . | trans | -72.5 | 98.3 | 173.5 | -175.4 | 34.9 | 0 | 0 | 0 | 110.4 | F223 | F223-N225 HydrophobicContact CE1-CB 3.92Š| ||
| 226 | N | 80.7 | Confident | 90.1 | Very high | 78 Ų | 78 | 78.5 Ų | 78.5 | 42% | 0.417 | 42% | 0.418 | S | S | . | . | trans | -95 | 105.4 | 175 | -171.7 | -1.7 | 0 | 0 | 0 | 110.4 | L224 Y228 G229 | L224-N226 PolarHBondContact O-N 3.46Å; N226-Y228 PolarHBondContact O-N 3.04Å; N226-Y228 VanDerWaalsContact O-N 3.15Å; N226-Y228 PolarHBondContact OD1-N 3.28Å; N226-Y228 VanDerWaalsContact OD1-N 3.08Å; N226-G229 PolarHBondContact O-N 3.04Å | ||
| 227 | V | 73.8 | Confident | 90.2 | Very high | 116 Ų | 116 | 74.2 Ų | 74.2 | 70% | 0.703 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.8 | 179 | -176.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 228 | Y | 74.7 | Confident | 90.3 | Very high | 214 Ų | 214 | 72.5 Ų | 72.5 | 84% | 0.839 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 12.7 | 177.3 | -54.3 | -74 | 0 | 0 | 0 | 112.7 | N226 | N226-Y228 PolarHBondContact O-N 3.04Å; N226-Y228 VanDerWaalsContact O-N 3.15Å; N226-Y228 PolarHBondContact OD1-N 3.28Å; N226-Y228 VanDerWaalsContact OD1-N 3.08Å |
| 229 | G | 70.8 | Confident | 90.2 | Very high | 30 Ų | 30 | 76 Ų | 76 | 31% | 0.309 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -72.8 | 160.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N226 | N226-G229 PolarHBondContact O-N 3.04Š|
| 230 | C | 77.5 | Confident | 90.1 | Very high | 71 Ų | 71 | 74.6 Ų | 74.6 | 48% | 0.48 | 40% | 0.396 | S | S | . | . | trans | -72.5 | 133.6 | 169.6 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | D232 T233 | C230-D232 PolarHBondContact O-N 3.42Å; C230-D232 VanDerWaalsContact O-N 3.15Å; C230-T233 PolarHBondContact O-N 3.31Å; C230-T233 VanDerWaalsContact O-N 3.15Å | ||
| 231 | Q | 82.8 | Confident | 89.9 | Confident | 173 Ų | 173 | 75.4 Ų | 75.4 | 81% | 0.808 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23.1 | -178.4 | -64.4 | -173.8 | -0 | 0 | 0 | 113.5 | N197 T233 | N197-Q231 PolarHBondContact ND2-O 2.97Å; Q231-T233 VanDerWaalsContact C-N 3.31Å |
| 232 | D | 89.8 | Confident | 89.6 | Confident | 115 Ų | 115 | 74.7 Ų | 74.7 | 62% | 0.615 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -7.7 | -178.1 | -59.6 | -36.1 | 0 | 0 | 0 | 113.3 | N197 C230 | N197-D232 PolarHBondContact N-O 3.24Å; C230-D232 PolarHBondContact O-N 3.42Å; C230-D232 VanDerWaalsContact O-N 3.15Å |
| 233 | T | 94.3 | Very high | 89.3 | Confident | 29 Ų | 29 | 73.4 Ų | 73.4 | 18% | 0.178 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 134.9 | -175.2 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | L172 V195 C230 Q231 | L172-T233 HydrophobicContact CD2-CG2 3.79Å; V195-T233 CarbonylContact O-C 3.52Å; V195-T233 WeakPolarHBondContact O-CA 3.48Å; C230-T233 PolarHBondContact O-N 3.31Å; C230-T233 VanDerWaalsContact O-N 3.15Å; Q231-T233 VanDerWaalsContact C-N 3.31Å |
| 234 | D | 95.2 | Very high | 88.6 | Confident | 26 Ų | 26 | 72.2 Ų | 72.2 | 14% | 0.139 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 154.3 | 171.8 | -69.6 | -33.8 | 0 | 0 | 0 | 110.8 | K194 V195 N197 K202 F223 F236 | K194-D234 WeakPolarHBondContact CA-O 3.39Å; V195-D234 HydrophobicContact CG2-CB 3.79Å; V195-D234 PolarHBondContact N-O 3.42Å; V195-D234 PolarHBondContact O-N 3.37Å; N197-D234 PolarHBondContact OD1-OD2 3.42Å; K202-D234 WeakPolarHBondContact CE-OD2 3.15Å; K202-D234 IonicContact NZ-OD2 3.28Å; K202-D234 PolarHBondContact NZ-OD2 3.34Å; F223-D234 HydrophobicContact CD2-CB 4.29Å; F223-D234 HydrophobicContact CE2-CB 3.79Å; D234-F236 HydrophobicContact CB-CD2 4.44Å; D234-F236 HydrophobicContact CB-CE2 3.87Å |
| 235 | T | 96.5 | Very high | 88 | Confident | 11 Ų | 11 | 74.9 Ų | 74.9 | 7% | 0.067 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.8 | 177.7 | -42.9 | 0 | 0 | 0 | 0 | 108.9 | I193 K194 L224 | I193-T235 CarbonylContact O-C 3.52Å; I193-T235 WeakPolarHBondContact O-CA 3.2Å; K194-T235 HydrophobicContact CD-CG2 4.22Å; K194-T235 WeakPolarHBondContact CD-OG1 3.24Å; K194-T235 WeakPolarHBondContact CE-OG1 3.5Å; K194-T235 PolarHBondContact NZ-OG1 3.34Å; L224-T235 HydrophobicContact CD1-CG2 4.35Å; L224-T235 PolarHBondContact N-O 3.24Å |
| 236 | F | 97.6 | Very high | 87.7 | Confident | 13 Ų | 13 | 69.3 Ų | 69.3 | 6% | 0.057 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 146.2 | 174.5 | -73.4 | -103.3 | 0 | 0 | 0 | 108.9 | T192 I193 V195 K202 V204 C221 S222 F223 D234 | T192-F236 CarbonylContact C-O 3.5Å; T192-F236 VanDerWaalsContact CA-O 3.27Å; T192-F236 WeakPolarHBondContact CA-O 3.43Å; I193-F236 HydrophobicContact CB-CB 4.43Å; I193-F236 PolarHBondContact N-O 3.47Å; I193-F236 PolarHBondContact O-N 3.25Å; V195-F236 HydrophobicContact CG1-CD2 4.49Å; V195-F236 HydrophobicContact CG2-CD2 3.8Å; V195-F236 HydrophobicContact CG2-CE2 3.54Å; K202-F236 HydrophobicContact CB-CZ 3.9Å; K202-F236 HydrophobicContact CD-CE2 4.21Å; K202-F236 HydrophobicContact CD-CZ 4.28Å; V204-F236 HydrophobicContact CB-CB 4.38Å; V204-F236 HydrophobicContact CB-CD1 3.98Å; V204-F236 HydrophobicContact CB-CE1 4.42Å; V204-F236 HydrophobicContact CB-CG 4.05Å; V204-F236 HydrophobicContact CG1-CB 4.41Å; V204-F236 HydrophobicContact CG2-CB 4.47Å; V204-F236 HydrophobicContact CG2-CD1 3.87Å; V204-F236 HydrophobicContact CG2-CD2 3.76Å; V204-F236 HydrophobicContact CG2-CE1 3.99Å; V204-F236 HydrophobicContact CG2-CE2 3.9Å; V204-F236 HydrophobicContact CG2-CG 3.76Å; V204-F236 HydrophobicContact CG2-CZ 4.01Å; C221-F236 HydrophobicContact CB-CB 3.95Å; C221-F236 HydrophobicContact CB-CD1 4.24Å; S222-F236 CarbonylContact O-C 3.5Å; S222-F236 VanDerWaalsContact O-CA 3.25Å; S222-F236 WeakPolarHBondContact O-CA 3.36Å; F223-F236 HydrophobicContact CB-CD1 4.1Å; F223-F236 HydrophobicContact CB-CE1 3.7Å; F223-F236 HydrophobicContact CB-CZ 4.07Å; F223-F236 HydrophobicContact CD2-CD2 4.43Å; F223-F236 HydrophobicContact CD2-CE1 4.31Å; F223-F236 AromaticContact CD2-CE2 3.93Å; F223-F236 HydrophobicContact CD2-CE2 3.93Å; F223-F236 AromaticContact CD2-CZ 3.86Å; F223-F236 HydrophobicContact CD2-CZ 3.86Å; F223-F236 HydrophobicContact CG-CE1 4.49Å; F223-F236 HydrophobicContact CG-CZ 4.4Å; D234-F236 HydrophobicContact CB-CD2 4.44Å; D234-F236 HydrophobicContact CB-CE2 3.87Å |
| 237 | A | 98 | Very high | 87.8 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 20% | 0.198 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 147.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | G191 C221 S222 L224 | G191-A237 WeakPolarHBondContact O-CA 3.47Å; C221-A237 CarbonylContact C-O 3.49Å; C221-A237 VanDerWaalsContact CA-O 3.31Å; C221-A237 WeakPolarHBondContact CA-O 3.24Å; C221-A237 WeakPolarHBondContact CB-O 3.48Å; S222-A237 PolarHBondContact N-O 3.47Å; S222-A237 PolarHBondContact O-N 3.02Å; L224-A237 HydrophobicContact CD1-CB 3.65Å; L224-A237 HydrophobicContact CD2-CB 4.17Å; L224-A237 HydrophobicContact CG-CB 3.81Å |
| 238 | F | 98 | Very high | 88.1 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.035 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 152.6 | 170.3 | 68.4 | -87.8 | 0 | 0 | 0 | 109.7 | L179 L189 T190 G191 I193 V206 L240 F254 | L179-F238 HydrophobicContact CD1-CE1 3.78Å; L179-F238 HydrophobicContact CD1-CZ 4.21Å; L189-F238 HydrophobicContact CD2-CE2 4.39Å; L189-F238 HydrophobicContact CG-CE2 4.22Å; T190-F238 WeakPolarHBondContact CA-O 3.29Å; G191-F238 VanDerWaalsContact CA-CE1 3.47Å; G191-F238 PolarHBondContact N-O 3.15Å; G191-F238 VanDerWaalsContact N-O 3.14Å; G191-F238 WeakPolarHBondContact O-CD1 3.4Å; G191-F238 PolarHBondContact O-N 3.45Å; I193-F238 HydrophobicContact CD1-CD1 3.58Å; I193-F238 HydrophobicContact CD1-CE1 4.04Å; I193-F238 HydrophobicContact CG1-CD1 3.94Å; I193-F238 HydrophobicContact CG1-CE1 4.05Å; V206-F238 HydrophobicContact CG2-CB 3.9Å; V206-F238 HydrophobicContact CG2-CD1 3.71Å; V206-F238 HydrophobicContact CG2-CD2 3.99Å; V206-F238 HydrophobicContact CG2-CE1 4.16Å; V206-F238 HydrophobicContact CG2-CE2 4.42Å; V206-F238 HydrophobicContact CG2-CG 3.59Å; V206-F238 HydrophobicContact CG2-CZ 4.5Å; F238-L240 HydrophobicContact CD2-CD2 4.04Å; F238-L240 HydrophobicContact CE2-CD2 4.14Å; F238-F254 HydrophobicContact CZ-CE2 4.25Å; F238-F254 HydrophobicContact CZ-CZ 4.46Å |
| 239 | E | 97.1 | Very high | 88.6 | Confident | 136 Ų | 136 | 61 Ų | 61 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 128.3 | 168.8 | 178.6 | 168 | -161.1 | 0 | 0 | 106.6 | S188 L189 T190 | S188-E239 PolarHBondContact OG-OE1 3.35Å; S188-E239 VanDerWaalsContact OG-OE1 3.1Å; L189-E239 WeakPolarHBondContact O-CA 3.34Å; T190-E239 HydrophobicContact CG2-CB 4.08Å; T190-E239 HydrophobicContact CG2-CG 3.84Å |
| 240 | L | 95.2 | Very high | 89.4 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 138.7 | 176.2 | 67.6 | 89.4 | 0 | 0 | 0 | 110.2 | L189 V206 V208 V219 F238 L242 | L189-L240 HydrophobicContact CB-CD1 3.67Å; L189-L240 HydrophobicContact CB-CG 3.84Å; L189-L240 HydrophobicContact CD2-CD1 3.85Å; L189-L240 HydrophobicContact CD2-CD2 3.98Å; L189-L240 HydrophobicContact CD2-CG 4.04Å; L189-L240 HydrophobicContact CG-CD1 4.34Å; L189-L240 HydrophobicContact CG-CG 4.34Å; L189-L240 PolarHBondContact N-O 3.38Å; L189-L240 PolarHBondContact O-N 3.04Å; V206-L240 HydrophobicContact CG1-CD2 3.89Å; V208-L240 HydrophobicContact CB-CD2 4.49Å; V208-L240 HydrophobicContact CG1-CD2 4.48Å; V219-L240 HydrophobicContact CG2-CB 4.23Å; F238-L240 HydrophobicContact CD2-CD2 4.04Å; F238-L240 HydrophobicContact CE2-CD2 4.14Å; L240-L242 HydrophobicContact CD1-CD2 3.45Å; L240-L242 VanDerWaalsContact CD1-CD2 3.45Å; L240-L242 HydrophobicContact CD1-CG 4.18Å |
| 241 | E | 93.9 | Very high | 90 | Very high | 129 Ų | 129 | 66 Ų | 66 | 60% | 0.603 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 124.5 | 176.5 | -166.7 | -179.9 | 166.1 | 0 | 0 | 109.5 | R187 | R187-E241 IonicContact CZ-OE1 3.04Å; R187-E241 IonicContact NH1-OE1 3.93Å; R187-E241 PolarHBondContact NH1-OE1 2.94Å; R187-E241 IonicContact NH2-OE1 3.76Å; R187-E241 PolarHBondContact NH2-OE1 3.25Å |
| 242 | L | 91.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 143.6 | 176.7 | -58.6 | 176.4 | 0 | 0 | 0 | 110.4 | L154 L184 R187 L189 Y210 L240 I252 L276 | L154-L242 HydrophobicContact CD1-CD1 3.69Å; L184-L242 HydrophobicContact CD1-CD1 3.61Å; L184-L242 HydrophobicContact CD2-CD1 4.38Å; R187-L242 HydrophobicContact CB-CB 4.4Å; R187-L242 PolarHBondContact NH1-O 2.73Å; R187-L242 PolarHBondContact O-N 3.49Å; L189-L242 HydrophobicContact CB-CG 4.49Å; Y210-L242 HydrophobicContact CE1-CD2 3.72Å; L240-L242 HydrophobicContact CD1-CD2 3.45Å; L240-L242 VanDerWaalsContact CD1-CD2 3.45Å; L240-L242 HydrophobicContact CD1-CG 4.18Å; L242-I252 HydrophobicContact CD2-CG2 4.45Å; L242-L276 HydrophobicContact CD1-CD2 3.56Å; L242-L276 HydrophobicContact CD2-CD2 4.28Å |
| 243 | P | 89.4 | Confident | 90.8 | Very high | 53 Ų | 53 | 53.3 Ų | 53.3 | 34% | 0.344 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 144.4 | 173.6 | -25.6 | 33.1 | 0 | 0 | 0 | 112.1 | Y210 Y245 | Y210-P243 VanDerWaalsContact CD1-CD 3.47Å; Y210-P243 HydrophobicContact CD1-CG 3.77Å; Y210-P243 HydrophobicContact CD2-CG 4.15Å; Y210-P243 HydrophobicContact CE1-CG 3.87Å; Y210-P243 HydrophobicContact CE2-CG 4.24Å; Y210-P243 HydrophobicContact CG-CG 3.9Å; P243-Y245 PolarHBondContact O-N 3.23Å |
| 244 | A | 81.6 | Confident | 91 | Very high | 80 Ų | 80 | 52 Ų | 52 | 66% | 0.661 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -60.2 | -28.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 245 | Y | 81.2 | Confident | 91.1 | Very high | 131 Ų | 131 | 51 Ų | 51 | 51% | 0.514 | 26% | 0.259 | S | S | . | . | trans | -140.4 | 125.9 | 175.7 | 178.9 | -102.6 | 0 | 0 | 0 | 109.9 | P243 P247 | P243-Y245 PolarHBondContact O-N 3.23Å; Y245-P247 HydrophobicContact CE1-CG 4.1Å | ||
| 246 | T | 82.2 | Confident | 91.2 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | trans | -121.6 | 131.1 | 166.9 | -56.6 | 0 | 0 | 0 | 0 | 107.8 | Y210 N250 I252 | Y210-T246 VanDerWaalsContact O-CG2 3.29Å; Y210-T246 WeakPolarHBondContact O-CG2 3.2Å; T246-N250 HydrophobicContact CG2-CB 4.09Å; T246-I252 HydrophobicContact CG2-CD1 3.83Å; T246-I252 HydrophobicContact CG2-CG1 3.77Å | ||
| 247 | P | 83.1 | Confident | 91.2 | Very high | 37 Ų | 37 | 50 Ų | 50 | 24% | 0.24 | 25% | 0.253 | C | S | . | . | trans | -56.4 | 130.2 | 173.9 | -25.2 | 34.5 | 0 | 0 | 0 | 110.3 | Y245 Q249 N250 | Y245-P247 HydrophobicContact CE1-CG 4.1Å; P247-Q249 HydrophobicContact CB-CG 3.96Å; P247-Q249 PolarHBondContact O-N 2.87Å; P247-Q249 VanDerWaalsContact O-N 3.11Å; P247-N250 VanDerWaalsContact O-CB 3.27Å; P247-N250 WeakPolarHBondContact O-CB 3.08Å; P247-N250 PolarHBondContact O-N 2.94Å | ||
| 248 | P | 80.1 | Confident | 91.2 | Very high | 34 Ų | 34 | 48.9 Ų | 48.9 | 22% | 0.221 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -13.5 | -174.7 | 8.6 | -11.4 | 0 | 0 | 0 | 114.6 | N250 W281 | P248-N250 VanDerWaalsContact C-N 3.27Å; P248-W281 HydrophobicContact CB-CD2 3.76Å; P248-W281 HydrophobicContact CB-CE3 3.91Å; P248-W281 HydrophobicContact CB-CG 4.36Å; P248-W281 HydrophobicContact CB-CH2 4.15Å; P248-W281 HydrophobicContact CB-CZ2 3.96Å; P248-W281 HydrophobicContact CB-CZ3 4.13Å; P248-W281 HydrophobicContact CG-CD2 3.74Å; P248-W281 HydrophobicContact CG-CE3 3.52Å; P248-W281 HydrophobicContact CG-CH2 3.08Å; P248-W281 HydrophobicContact CG-CZ2 3.26Å; P248-W281 HydrophobicContact CG-CZ3 3.22Å |
| 249 | Q | 83.8 | Confident | 91.2 | Very high | 161 Ų | 161 | 52.3 Ų | 52.3 | 75% | 0.752 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -22.1 | 168.6 | 67.4 | -146.3 | 26.8 | 0 | 0 | 112.9 | P247 | P247-Q249 HydrophobicContact CB-CG 3.96Å; P247-Q249 PolarHBondContact O-N 2.87Å; P247-Q249 VanDerWaalsContact O-N 3.11Å |
| 250 | N | 88.1 | Confident | 91.2 | Very high | 42 Ų | 42 | 46 Ų | 46 | 23% | 0.225 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -85.1 | 140.6 | 179.2 | -67.1 | 4.8 | 0 | 0 | 0 | 109.9 | Y210 T246 P247 P248 | Y210-N250 VanDerWaalsContact O-CB 3.23Å; Y210-N250 WeakPolarHBondContact O-CB 3.48Å; Y210-N250 PolarHBondContact O-ND2 3.45Å; T246-N250 HydrophobicContact CG2-CB 4.09Å; P247-N250 VanDerWaalsContact O-CB 3.27Å; P247-N250 WeakPolarHBondContact O-CB 3.08Å; P247-N250 PolarHBondContact O-N 2.94Å; P248-N250 VanDerWaalsContact C-N 3.27Å |
| 251 | R | 90.1 | Very high | 91.2 | Very high | 166 Ų | 166 | 52.5 Ų | 52.5 | 63% | 0.626 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -89.2 | 125.8 | 173.7 | -62.6 | -173.2 | 178.1 | -155.7 | -0.1 | 109.8 | S212 E253 | S212-R251 PolarHBondContact N-O 2.91Å; S212-R251 PolarHBondContact OG-N 3.45Å; R251-E253 HydrophobicContact CB-CG 4.2Å; R251-E253 WeakPolarHBondContact CD-OE1 3.25Å; R251-E253 IonicContact NH1-OE1 3.62Å |
| 252 | I | 93.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 116 | 169.5 | -53.1 | 172.5 | 0 | 0 | 0 | 106.7 | L154 T209 Y210 L242 T246 L276 | L154-I252 HydrophobicContact CD1-CD1 3.67Å; L154-I252 HydrophobicContact CD2-CD1 3.9Å; L154-I252 HydrophobicContact CG-CD1 4.48Å; T209-I252 WeakPolarHBondContact O-CA 3.32Å; Y210-I252 HydrophobicContact CD1-CG2 4.04Å; Y210-I252 HydrophobicContact CE1-CG2 4.43Å; L242-I252 HydrophobicContact CD2-CG2 4.45Å; T246-I252 HydrophobicContact CG2-CD1 3.83Å; T246-I252 HydrophobicContact CG2-CG1 3.77Å; I252-L276 HydrophobicContact CB-CB 4.12Å; I252-L276 HydrophobicContact CG2-CB 4.2Å; I252-L276 HydrophobicContact CG2-CD1 4.15Å; I252-L276 HydrophobicContact CG2-CD2 4.25Å; I252-L276 HydrophobicContact CG2-CG 4.44Å; I252-L276 PolarHBondContact O-N 3.49Å |
| 253 | E | 96.1 | Very high | 91.4 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 9% | 0.089 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 153.3 | -178 | -58 | -179.8 | -179.5 | 0 | 0 | 109.1 | T209 W213 R251 N273 Y274 P275 | T209-E253 HydrophobicContact CG2-CB 4.04Å; T209-E253 VanDerWaalsContact CG2-O 3.24Å; T209-E253 WeakPolarHBondContact CG2-O 3.38Å; T209-E253 PolarHBondContact N-O 2.8Å; T209-E253 PolarHBondContact O-N 2.78Å; W213-E253 HydrophobicContact CZ2-CB 4.26Å; W213-E253 PolarHBondContact NE1-OE2 2.79Å; R251-E253 HydrophobicContact CB-CG 4.2Å; R251-E253 WeakPolarHBondContact CD-OE1 3.25Å; R251-E253 IonicContact NH1-OE1 3.62Å; E253-N273 HydrophobicContact CB-CB 4.18Å; E253-N273 PolarHBondContact OE2-ND2 3.13Å; E253-Y274 WeakPolarHBondContact CA-O 3.44Å; E253-P275 HydrophobicContact CG-CB 4.14Å |
| 254 | F | 97.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 160.8 | 170.9 | 69.8 | -86.4 | 0 | 0 | 0 | 112.2 | F158 L179 L189 V206 R207 V208 F238 Y274 L276 | F158-F254 HydrophobicContact CE1-CE1 4.18Å; F158-F254 HydrophobicContact CE1-CZ 4.38Å; F158-F254 HydrophobicContact CZ-CE1 4.34Å; F158-F254 HydrophobicContact CZ-CZ 4.11Å; L179-F254 HydrophobicContact CD1-CE2 4.45Å; L179-F254 HydrophobicContact CD2-CE2 4.21Å; L179-F254 HydrophobicContact CD2-CZ 4.12Å; L189-F254 HydrophobicContact CD2-CD1 3.91Å; L189-F254 HydrophobicContact CD2-CE1 3.79Å; L189-F254 HydrophobicContact CD2-CZ 4.47Å; V206-F254 HydrophobicContact CG1-CB 3.94Å; V206-F254 HydrophobicContact CG1-CD2 3.79Å; V206-F254 HydrophobicContact CG1-CG 4.15Å; R207-F254 CarbonylContact O-C 3.6Å; R207-F254 WeakPolarHBondContact O-CA 3.39Å; R207-F254 WeakPolarHBondContact O-CB 3.36Å; V208-F254 HydrophobicContact CB-CB 4Å; V208-F254 HydrophobicContact CG2-CB 4.18Å; F238-F254 HydrophobicContact CZ-CE2 4.25Å; F238-F254 HydrophobicContact CZ-CZ 4.46Å; F254-Y274 WeakPolarHBondContact CD1-O 3.5Å; F254-Y274 AromaticContact CD2-CD2 3.97Å; F254-Y274 HydrophobicContact CD2-CD2 3.97Å; F254-Y274 HydrophobicContact CD2-CG 4.33Å; F254-Y274 HydrophobicContact CE1-CG 4.26Å; F254-Y274 AromaticContact CE2-CD2 3.64Å; F254-Y274 HydrophobicContact CE2-CD2 3.64Å; F254-Y274 AromaticContact CE2-CG 3.8Å; F254-Y274 HydrophobicContact CE2-CG 3.8Å; F254-Y274 HydrophobicContact CZ-CD2 4.12Å; F254-Y274 AromaticContact CZ-CG 3.76Å; F254-Y274 HydrophobicContact CZ-CG 3.76Å; F254-Y274 PolarHBondContact N-O 2.92Å; F254-Y274 VanDerWaalsContact N-O 3.1Å; F254-Y274 WeakPolarHBondContact O-CB 3.47Å; F254-Y274 WeakPolarHBondContact O-CD2 3.17Å; F254-Y274 PolarHBondContact O-N 2.96Å; F254-L276 HydrophobicContact CD1-CD1 3.87Å; F254-L276 HydrophobicContact CE1-CD1 4Å |
| 255 | C | 97.8 | Very high | 92.6 | Very high | 7 Ų | 7 | 56 Ų | 56 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 168.2 | 170.6 | 66.3 | 0 | 0 | 0 | 0 | 109.7 | R207 W213 D267 N268 | R207-C255 PolarHBondContact N-O 2.85Å; R207-C255 PolarHBondContact O-N 3.4Å; W213-C255 HydrophobicContact CH2-CB 4.45Å; W213-C255 VanDerWaalsContact CH2-SG 3.57Å; C255-D267 WeakPolarHBondContact CB-O 3.44Å; C255-N268 HydrophobicContact CB-CB 4.23Å |
| 256 | I | 98.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132.8 | -175.3 | -58.4 | 154.2 | 0 | 0 | 0 | 109.6 | V177 L179 I193 V204 V206 W266 D267 Y274 | V177-I256 HydrophobicContact CG2-CB 4.34Å; V177-I256 HydrophobicContact CG2-CG2 3.6Å; L179-I256 HydrophobicContact CB-CD1 3.55Å; L179-I256 HydrophobicContact CD1-CD1 4.05Å; L179-I256 HydrophobicContact CG-CD1 4.38Å; I193-I256 HydrophobicContact CD1-CD1 4.03Å; I193-I256 HydrophobicContact CD1-CG1 3.98Å; I193-I256 HydrophobicContact CD1-CG2 3.94Å; I193-I256 HydrophobicContact CG1-CD1 3.81Å; I193-I256 HydrophobicContact CG1-CG1 4.32Å; I193-I256 HydrophobicContact CG2-CD1 4.23Å; I193-I256 HydrophobicContact CG2-CG2 4Å; V204-I256 HydrophobicContact CG1-CG2 3.96Å; V206-I256 HydrophobicContact CG2-CG1 4.34Å; I256-W266 WeakPolarHBondContact O-CA 3.39Å; I256-D267 HydrophobicContact CB-CB 4.23Å; I256-D267 HydrophobicContact CD1-CB 4.45Å; I256-D267 PolarHBondContact N-O 3.22Å; I256-D267 PolarHBondContact O-N 3.45Å; I256-Y274 HydrophobicContact CD1-CE2 4.36Å |
| 257 | C | 98.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.1 | 171.9 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | V204 Q205 T264 W266 | V204-C257 CarbonylContact C-O 3.51Å; V204-C257 WeakPolarHBondContact CA-O 3.17Å; Q205-C257 HydrophobicContact CB-CB 4.41Å; Q205-C257 PolarHBondContact N-O 2.84Å; Q205-C257 PolarHBondContact O-N 3.33Å; C257-T264 VanDerWaalsContact SG-CG2 3.55Å; C257-W266 HydrophobicContact CB-CD2 4.32Å; C257-W266 HydrophobicContact CB-CE3 3.92Å; C257-W266 HydrophobicContact CB-CH2 3.6Å; C257-W266 HydrophobicContact CB-CZ2 4.01Å; C257-W266 HydrophobicContact CB-CZ3 3.55Å |
| 258 | F | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 120.3 | 173.1 | 169.1 | -137.4 | 0 | 0 | 0 | 110.2 | C176 V177 V195 V198 K202 V204 V260 T264 Y265 | C176-F258 HydrophobicContact CB-CD1 4.25Å; C176-F258 HydrophobicContact CB-CE1 4.18Å; V177-F258 HydrophobicContact CB-CB 3.76Å; V177-F258 HydrophobicContact CB-CD1 4.13Å; V177-F258 HydrophobicContact CB-CG 4.31Å; V177-F258 HydrophobicContact CG1-CB 3.92Å; V177-F258 HydrophobicContact CG2-CB 4.03Å; V195-F258 HydrophobicContact CB-CD1 4.15Å; V195-F258 HydrophobicContact CB-CD2 4.37Å; V195-F258 HydrophobicContact CB-CE1 4.01Å; V195-F258 HydrophobicContact CB-CE2 4.25Å; V195-F258 HydrophobicContact CB-CG 4.32Å; V195-F258 HydrophobicContact CB-CZ 4.05Å; V195-F258 HydrophobicContact CG1-CB 4.32Å; V195-F258 HydrophobicContact CG1-CD1 4.15Å; V195-F258 HydrophobicContact CG1-CD2 4.05Å; V195-F258 HydrophobicContact CG1-CE1 4.48Å; V195-F258 HydrophobicContact CG1-CE2 4.4Å; V195-F258 HydrophobicContact CG1-CG 3.91Å; V195-F258 HydrophobicContact CG2-CE2 4.31Å; V195-F258 HydrophobicContact CG2-CZ 4.28Å; V198-F258 HydrophobicContact CG2-CZ 4.44Å; K202-F258 HydrophobicContact CB-CE2 3.9Å; K202-F258 HydrophobicContact CD-CE2 3.91Å; K202-F258 HydrophobicContact CD-CZ 4.07Å; K202-F258 HydrophobicContact CG-CE2 3.84Å; K202-F258 HydrophobicContact CG-CZ 4.25Å; V204-F258 HydrophobicContact CG2-CD2 3.79Å; V204-F258 HydrophobicContact CG2-CE2 4.43Å; F258-V260 HydrophobicContact CD1-CG1 4.42Å; F258-V260 HydrophobicContact CE1-CB 4.36Å; F258-V260 HydrophobicContact CE1-CG1 3.64Å; F258-V260 HydrophobicContact CE2-CB 3.71Å; F258-V260 HydrophobicContact CE2-CG1 3.9Å; F258-V260 HydrophobicContact CZ-CB 3.58Å; F258-V260 HydrophobicContact CZ-CG1 3.35Å; F258-V260 HydrophobicContact CZ-CG2 4.25Å; F258-T264 CarbonylContact O-C 3.52Å; F258-T264 WeakPolarHBondContact O-CA 3.41Å; F258-Y265 AromaticContact CD1-CD2 3.79Å; F258-Y265 HydrophobicContact CD1-CD2 3.79Å; F258-Y265 HydrophobicContact CD1-CG 4.32Å; F258-Y265 HydrophobicContact CE1-CD2 4.15Å; F258-Y265 PolarHBondContact N-O 3.38Å; F258-Y265 PolarHBondContact O-N 3.4Å |
| 259 | K | 98.1 | Very high | 95.4 | Very high | 80 Ų | 80 | 55 Ų | 55 | 35% | 0.348 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.2 | 178.2 | -64.2 | 169 | -177.4 | 154.8 | 0 | 110.2 | S203 Q263 T264 | S203-K259 PolarHBondContact N-O 2.87Å; S203-K259 PolarHBondContact O-N 2.98Å; K259-Q263 VanDerWaalsContact CA-O 3.27Å; K259-Q263 WeakPolarHBondContact CA-O 3.06Å; K259-T264 HydrophobicContact CG-CG2 4.06Å |
| 260 | V | 97.2 | Very high | 95.7 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 135.2 | 178.5 | 58.9 | 0 | 0 | 0 | 0 | 109.7 | V198 K202 F258 G262 Q263 Y265 | V198-V260 HydrophobicContact CG2-CB 4.32Å; V198-V260 HydrophobicContact CG2-CG1 3.52Å; V198-V260 HydrophobicContact CG2-CG2 3.87Å; K202-V260 HydrophobicContact CG-CG2 4.27Å; F258-V260 HydrophobicContact CD1-CG1 4.42Å; F258-V260 HydrophobicContact CE1-CB 4.36Å; F258-V260 HydrophobicContact CE1-CG1 3.64Å; F258-V260 HydrophobicContact CE2-CB 3.71Å; F258-V260 HydrophobicContact CE2-CG1 3.9Å; F258-V260 HydrophobicContact CZ-CB 3.58Å; F258-V260 HydrophobicContact CZ-CG1 3.35Å; F258-V260 HydrophobicContact CZ-CG2 4.25Å; V260-G262 PolarHBondContact O-N 2.86Å; V260-G262 VanDerWaalsContact O-N 3.09Å; V260-Q263 PolarHBondContact N-O 3.31Å; V260-Q263 PolarHBondContact O-N 3.07Å; V260-Y265 HydrophobicContact CG1-CD2 4.21Å; V260-Y265 HydrophobicContact CG1-CE2 3.77Å |
| 261 | Q | 94.8 | Very high | 95.8 | Very high | 145 Ų | 145 | 54 Ų | 54 | 68% | 0.678 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 37 | 178.2 | -65.1 | 172.7 | 1.9 | 0 | 0 | 114 | V198 G199 Q263 | V198-Q261 PolarHBondContact O-NE2 2.97Å; G199-Q261 VanDerWaalsContact CA-NE2 3.27Å; Q261-Q263 PolarHBondContact O-N 2.88Å |
| 262 | G | 93.7 | Very high | 95.9 | Very high | 78 Ų | 78 | 53 Ų | 53 | 80% | 0.804 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | -3.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | V260 | V260-G262 PolarHBondContact O-N 2.86Å; V260-G262 VanDerWaalsContact O-N 3.09Å |
| 263 | Q | 96.3 | Very high | 96 | Very high | 117 Ų | 117 | 54 Ų | 54 | 55% | 0.547 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 147.9 | 175.2 | -58.7 | -66.4 | 51.9 | 0 | 0 | 111.4 | K259 V260 Q261 Y265 | K259-Q263 VanDerWaalsContact CA-O 3.27Å; K259-Q263 WeakPolarHBondContact CA-O 3.06Å; V260-Q263 PolarHBondContact N-O 3.31Å; V260-Q263 PolarHBondContact O-N 3.07Å; Q261-Q263 PolarHBondContact O-N 2.88Å; Q263-Y265 HydrophobicContact CB-CE2 3.83Å |
| 264 | T | 97.5 | Very high | 96 | Very high | 71 Ų | 71 | 53.1 Ų | 53.1 | 44% | 0.436 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.5 | 178 | -54.4 | 0 | 0 | 0 | 0 | 110.3 | C257 F258 K259 | C257-T264 VanDerWaalsContact SG-CG2 3.55Å; F258-T264 CarbonylContact O-C 3.52Å; F258-T264 WeakPolarHBondContact O-CA 3.41Å; K259-T264 HydrophobicContact CG-CG2 4.06Å |
| 265 | Y | 97.8 | Very high | 95.9 | Very high | 72 Ų | 72 | 54.5 Ų | 54.5 | 28% | 0.282 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 143.9 | 176.8 | -57.5 | -85.3 | 0 | 0 | 0 | 109.5 | N175 C176 F258 V260 Q263 | N175-Y265 WeakPolarHBondContact O-CB 3.17Å; C176-Y265 HydrophobicContact CB-CD1 3.9Å; C176-Y265 HydrophobicContact CB-CD2 4.16Å; C176-Y265 HydrophobicContact CB-CE1 4.13Å; C176-Y265 HydrophobicContact CB-CE2 4.38Å; C176-Y265 HydrophobicContact CB-CG 3.91Å; F258-Y265 AromaticContact CD1-CD2 3.79Å; F258-Y265 HydrophobicContact CD1-CD2 3.79Å; F258-Y265 HydrophobicContact CD1-CG 4.32Å; F258-Y265 HydrophobicContact CE1-CD2 4.15Å; F258-Y265 PolarHBondContact N-O 3.38Å; F258-Y265 PolarHBondContact O-N 3.4Å; V260-Y265 HydrophobicContact CG1-CD2 4.21Å; V260-Y265 HydrophobicContact CG1-CE2 3.77Å; Q263-Y265 HydrophobicContact CB-CE2 3.83Å |
| 266 | W | 97.6 | Very high | 95.7 | Very high | 93 Ų | 93 | 54.9 Ų | 54.9 | 35% | 0.352 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 135.4 | -179.6 | -71.3 | 92.5 | 0 | 0 | 0 | 110.6 | R207 I256 C257 | R207-W266 HydrophobicContact CB-CZ3 4.32Å; I256-W266 WeakPolarHBondContact O-CA 3.39Å; C257-W266 HydrophobicContact CB-CD2 4.32Å; C257-W266 HydrophobicContact CB-CE3 3.92Å; C257-W266 HydrophobicContact CB-CH2 3.6Å; C257-W266 HydrophobicContact CB-CZ2 4.01Å; C257-W266 HydrophobicContact CB-CZ3 3.55Å |
| 267 | D | 97.7 | Very high | 95.2 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.011 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 101.2 | 161 | 179.3 | 21.1 | 0 | 0 | 0 | 109 | V177 S178 L179 C255 I256 N269 Y274 | V177-D267 HydrophobicContact CG1-CB 4.05Å; V177-D267 HydrophobicContact CG2-CB 4.34Å; S178-D267 WeakPolarHBondContact CA-OD2 3.4Å; L179-D267 PolarHBondContact N-OD2 3.12Å; C255-D267 WeakPolarHBondContact CB-O 3.44Å; I256-D267 HydrophobicContact CB-CB 4.23Å; I256-D267 HydrophobicContact CD1-CB 4.45Å; I256-D267 PolarHBondContact N-O 3.22Å; I256-D267 PolarHBondContact O-N 3.45Å; D267-N269 PolarHBondContact OD1-N 2.96Å; D267-N269 VanDerWaalsContact OD1-N 3.11Å; D267-Y274 PolarHBondContact OD1-OH 2.93Å; D267-Y274 PolarHBondContact OD2-OH 3.42Å |
| 268 | N | 95.8 | Very high | 94.6 | Very high | 65 Ų | 65 | 61.9 Ų | 61.9 | 35% | 0.348 | 32% | 0.324 | S | S | . | . | trans | -112.2 | 23.6 | 176.6 | 66.9 | -9.1 | 0 | 0 | 0 | 111.3 | C255 E270 G271 K272 N273 | C255-N268 HydrophobicContact CB-CB 4.23Å; N268-E270 VanDerWaalsContact C-N 3.34Å; N268-E270 PolarHBondContact O-N 2.79Å; N268-G271 CarbonylContact O-C 3.58Å; N268-G271 PolarHBondContact O-N 2.7Å; N268-G271 PolarHBondContact OD1-N 3.38Å; N268-K272 PolarHBondContact O-N 3.29Å; N268-N273 WeakPolarHBondContact CB-OD1 3.38Å; N268-N273 WeakPolarHBondContact O-CA 3.31Å; N268-N273 PolarHBondContact O-N 3.37Å | ||
| 269 | N | 94.1 | Very high | 93.4 | Very high | 30 Ų | 30 | 68 Ų | 68 | 16% | 0.16 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | 51.3 | 50.2 | 178.7 | -168 | 31.6 | 0 | 0 | 0 | 113 | D267 G271 K272 N273 Y274 | D267-N269 PolarHBondContact OD1-N 2.96Å; D267-N269 VanDerWaalsContact OD1-N 3.11Å; N269-G271 VanDerWaalsContact C-N 3.25Å; N269-G271 PolarHBondContact O-N 3.48Å; N269-K272 WeakPolarHBondContact O-CB 3.3Å; N269-K272 PolarHBondContact O-N 3.41Å; N269-K272 VanDerWaalsContact O-N 3.13Å; N269-N273 WeakPolarHBondContact CB-O 3.38Å; N269-N273 PolarHBondContact ND2-O 3.29Å; N269-Y274 HydrophobicContact CB-CD1 4.37Å; N269-Y274 HydrophobicContact CB-CE1 3.9Å; N269-Y274 HydrophobicContact CB-CE2 4.16Å |
| 270 | E | 90.5 | Very high | 91.7 | Very high | 128 Ų | 128 | 66.5 Ų | 66.5 | 60% | 0.598 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | 58.8 | 33.3 | -177.5 | -51.4 | -174.6 | 150.2 | 0 | 0 | 114 | N268 | N268-E270 VanDerWaalsContact C-N 3.34Å; N268-E270 PolarHBondContact O-N 2.79Å |
| 271 | G | 90.7 | Very high | 89.7 | Confident | 52 Ų | 52 | 71.9 Ų | 71.9 | 54% | 0.536 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | 85.7 | 2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | N268 N269 | N268-G271 CarbonylContact O-C 3.58Å; N268-G271 PolarHBondContact O-N 2.7Å; N268-G271 PolarHBondContact OD1-N 3.38Å; N269-G271 VanDerWaalsContact C-N 3.25Å; N269-G271 PolarHBondContact O-N 3.48Å |
| 272 | K | 91.1 | Very high | 87.5 | Confident | 145 Ų | 145 | 68.2 Ų | 68.2 | 63% | 0.63 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -16.3 | 175.9 | -62.5 | 173.8 | -175.7 | 163.4 | 0 | 113.5 | N268 N269 | N268-K272 PolarHBondContact O-N 3.29Å; N269-K272 WeakPolarHBondContact O-CB 3.3Å; N269-K272 PolarHBondContact O-N 3.41Å; N269-K272 VanDerWaalsContact O-N 3.13Å |
| 273 | N | 96.2 | Very high | 85.4 | Confident | 23 Ų | 23 | 67.1 Ų | 67.1 | 12% | 0.123 | 36% | 0.357 | C | S | . | . | trans | 55 | -170.7 | -167.6 | -56.5 | -37.9 | 0 | 0 | 0 | 112.7 | W213 E253 N268 N269 P275 | W213-N273 HydrophobicContact CZ2-CB 4.47Å; W213-N273 WeakPolarHBondContact CZ2-ND2 3.42Å; W213-N273 PolarHBondContact NE1-ND2 3.29Å; E253-N273 HydrophobicContact CB-CB 4.18Å; E253-N273 PolarHBondContact OE2-ND2 3.13Å; N268-N273 WeakPolarHBondContact CB-OD1 3.38Å; N268-N273 WeakPolarHBondContact O-CA 3.31Å; N268-N273 PolarHBondContact O-N 3.37Å; N269-N273 WeakPolarHBondContact CB-O 3.38Å; N269-N273 PolarHBondContact ND2-O 3.29Å; N273-P275 WeakPolarHBondContact O-CD 3.26Å | ||
| 274 | Y | 96.9 | Very high | 83 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 0% | 0.004 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 93.8 | 174.9 | -64.2 | -71.5 | 0 | 0 | 0 | 110.3 | F158 P161 L179 E253 F254 I256 D267 N269 | F158-Y274 HydrophobicContact CD1-CD1 4.1Å; F158-Y274 AromaticContact CD2-CD1 3.69Å; F158-Y274 HydrophobicContact CD2-CD1 3.69Å; F158-Y274 HydrophobicContact CD2-CE1 4.19Å; F158-Y274 HydrophobicContact CE1-CD1 4.13Å; F158-Y274 HydrophobicContact CE1-CG 4.45Å; F158-Y274 AromaticContact CE2-CD1 3.74Å; F158-Y274 HydrophobicContact CE2-CD1 3.74Å; F158-Y274 HydrophobicContact CE2-CE1 4.3Å; F158-Y274 AromaticContact CG-CD1 3.88Å; F158-Y274 HydrophobicContact CG-CD1 3.88Å; F158-Y274 AromaticContact CZ-CD1 3.96Å; F158-Y274 HydrophobicContact CZ-CD1 3.96Å; F158-Y274 HydrophobicContact CZ-CG 4.44Å; P161-Y274 HydrophobicContact CG-CE1 4.21Å; L179-Y274 HydrophobicContact CB-CE1 4.23Å; L179-Y274 HydrophobicContact CB-CE2 3.96Å; L179-Y274 WeakPolarHBondContact CB-OH 3.46Å; L179-Y274 HydrophobicContact CD2-CD1 3.66Å; L179-Y274 HydrophobicContact CD2-CD2 4.2Å; L179-Y274 HydrophobicContact CD2-CE1 3.49Å; L179-Y274 VanDerWaalsContact CD2-CE1 3.49Å; L179-Y274 HydrophobicContact CD2-CE2 4.04Å; L179-Y274 HydrophobicContact CD2-CG 4.02Å; E253-Y274 WeakPolarHBondContact CA-O 3.44Å; F254-Y274 WeakPolarHBondContact CD1-O 3.5Å; F254-Y274 AromaticContact CD2-CD2 3.97Å; F254-Y274 HydrophobicContact CD2-CD2 3.97Å; F254-Y274 HydrophobicContact CD2-CG 4.33Å; F254-Y274 HydrophobicContact CE1-CG 4.26Å; F254-Y274 AromaticContact CE2-CD2 3.64Å; F254-Y274 HydrophobicContact CE2-CD2 3.64Å; F254-Y274 AromaticContact CE2-CG 3.8Å; F254-Y274 HydrophobicContact CE2-CG 3.8Å; F254-Y274 HydrophobicContact CZ-CD2 4.12Å; F254-Y274 AromaticContact CZ-CG 3.76Å; F254-Y274 HydrophobicContact CZ-CG 3.76Å; F254-Y274 PolarHBondContact N-O 2.92Å; F254-Y274 VanDerWaalsContact N-O 3.1Å; F254-Y274 WeakPolarHBondContact O-CB 3.47Å; F254-Y274 WeakPolarHBondContact O-CD2 3.17Å; F254-Y274 PolarHBondContact O-N 2.96Å; I256-Y274 HydrophobicContact CD1-CE2 4.36Å; D267-Y274 PolarHBondContact OD1-OH 2.93Å; D267-Y274 PolarHBondContact OD2-OH 3.42Å; N269-Y274 HydrophobicContact CB-CD1 4.37Å; N269-Y274 HydrophobicContact CB-CE1 3.9Å; N269-Y274 HydrophobicContact CB-CE2 4.16Å |
| 275 | P | 95.1 | Very high | 80.5 | Confident | 30 Ų | 30 | 72.4 Ų | 72.4 | 20% | 0.195 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 147.2 | -176.7 | 31.1 | -35.4 | 0 | 0 | 0 | 113.4 | D157 F158 E253 N273 | D157-P275 HydrophobicContact CB-CG 4.19Å; D157-P275 PolarHBondContact N-O 3.21Å; F158-P275 WeakPolarHBondContact CD1-O 3.41Å; E253-P275 HydrophobicContact CG-CB 4.14Å; N273-P275 WeakPolarHBondContact O-CD 3.26Å |
| 276 | L | 93.5 | Very high | 78.1 | Confident | 14 Ų | 14 | 75.4 Ų | 75.4 | 7% | 0.073 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 140.2 | 166 | -69.6 | 75.4 | 0 | 0 | 0 | 108.9 | V155 L156 L184 L189 L242 I252 F254 | V155-L276 CarbonylContact O-C 3.52Å; V155-L276 WeakPolarHBondContact O-CA 3.45Å; L156-L276 HydrophobicContact CD2-CG 4.37Å; L184-L276 HydrophobicContact CD2-CD2 3.89Å; L189-L276 HydrophobicContact CD1-CD2 4.35Å; L189-L276 HydrophobicContact CD2-CD1 4.33Å; L189-L276 HydrophobicContact CD2-CD2 4.4Å; L242-L276 HydrophobicContact CD1-CD2 3.56Å; L242-L276 HydrophobicContact CD2-CD2 4.28Å; I252-L276 HydrophobicContact CB-CB 4.12Å; I252-L276 HydrophobicContact CG2-CB 4.2Å; I252-L276 HydrophobicContact CG2-CD1 4.15Å; I252-L276 HydrophobicContact CG2-CD2 4.25Å; I252-L276 HydrophobicContact CG2-CG 4.44Å; I252-L276 PolarHBondContact O-N 3.49Å; F254-L276 HydrophobicContact CD1-CD1 3.87Å; F254-L276 HydrophobicContact CE1-CD1 4Å |
| 277 | K | 89.1 | Confident | 75.4 | Confident | 119 Ų | 119 | 75.6 Ų | 75.6 | 52% | 0.517 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 143.4 | -178.1 | -176.3 | 177.2 | 178.9 | -179.6 | 0 | 110.9 | L154 V155 D157 F279 | L154-K277 CarbonylContact C-O 3.57Å; L154-K277 WeakPolarHBondContact CA-O 3.29Å; V155-K277 HydrophobicContact CG1-CB 4.27Å; V155-K277 WeakPolarHBondContact CG1-O 3.32Å; V155-K277 PolarHBondContact N-O 2.99Å; V155-K277 PolarHBondContact O-N 3.2Å; D157-K277 HydrophobicContact CB-CB 3.94Å; K277-F279 PolarHBondContact O-N 3.22Å |
| 278 | H | 85.3 | Confident | 72.7 | Confident | 31 Ų | 31 | 84.4 Ų | 84.4 | 14% | 0.144 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 123.4 | 169.8 | -71 | -82.5 | 0 | 0 | 0 | 110.7 | S153 W281 | S153-H278 CarbonylContact O-C 3.58Å; S153-H278 WeakPolarHBondContact O-CA 3.08Å; H278-W281 HydrophobicContact CB-CB 4.05Å |
| 279 | F | 72.9 | Confident | 70 | Confident | 128 Ų | 128 | 88.8 Ų | 88.8 | 56% | 0.561 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -83.3 | 132.1 | 171.9 | -171 | -94.4 | 0 | 0 | 0 | 109.5 | S153 V155 K277 W281 | S153-F279 PolarHBondContact O-N 3.17Å; V155-F279 HydrophobicContact CG1-CB 4.13Å; V155-F279 HydrophobicContact CG1-CD2 4.32Å; K277-F279 PolarHBondContact O-N 3.22Å; F279-W281 VanDerWaalsContact C-N 3.32Å; F279-W281 PolarHBondContact O-N 3.16Å |
| 280 | G | 62.9 | Low | 67.5 | Low | 48 Ų | 48 | 93.3 Ų | 93.3 | 50% | 0.495 | 51% | 0.513 | S | S | . | . | S | Bend | trans | 83.7 | -4.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.9 | S282 | G280-S282 PolarHBondContact O-N 3.05Š|
| 281 | W | 53.5 | Low | 64.8 | Low | 117 Ų | 117 | 92.3 Ų | 92.3 | 44% | 0.443 | 53% | 0.526 | S | S | . | . | trans | -81.2 | 68.2 | 166 | -163.3 | -73.1 | 0 | 0 | 0 | 109.6 | P248 H278 F279 L286 | P248-W281 HydrophobicContact CB-CD2 3.76Å; P248-W281 HydrophobicContact CB-CE3 3.91Å; P248-W281 HydrophobicContact CB-CG 4.36Å; P248-W281 HydrophobicContact CB-CH2 4.15Å; P248-W281 HydrophobicContact CB-CZ2 3.96Å; P248-W281 HydrophobicContact CB-CZ3 4.13Å; P248-W281 HydrophobicContact CG-CD2 3.74Å; P248-W281 HydrophobicContact CG-CE3 3.52Å; P248-W281 HydrophobicContact CG-CH2 3.08Å; P248-W281 HydrophobicContact CG-CZ2 3.26Å; P248-W281 HydrophobicContact CG-CZ3 3.22Å; H278-W281 HydrophobicContact CB-CB 4.05Å; F279-W281 VanDerWaalsContact C-N 3.32Å; F279-W281 PolarHBondContact O-N 3.16Å; W281-L286 HydrophobicContact CZ2-CD1 3.69Å | ||
| 282 | S | 49.4 | Very low | 62.2 | Low | 69 Ų | 69 | 94.1 Ų | 94.1 | 48% | 0.483 | 54% | 0.536 | S | S | . | . | trans | -73.8 | 129.3 | 157 | 55.4 | 0 | 0 | 0 | 0 | 106.9 | G280 E284 | G280-S282 PolarHBondContact O-N 3.05Å; S282-E284 PolarHBondContact O-N 3.14Å | ||
| 283 | G | 48.7 | Very low | 59.6 | Low | 54 Ų | 54 | 95.6 Ų | 95.6 | 56% | 0.557 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -66.2 | 25.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 284 | E | 46.7 | Very low | 56.6 | Low | 147 Ų | 147 | 103.7 Ų | 103.7 | 69% | 0.687 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -84.5 | -7.9 | -177.7 | -68.7 | -175.6 | 129.7 | 0 | 0 | 113.7 | S282 | S282-E284 PolarHBondContact O-N 3.14Š|
| 285 | N | 44.4 | Very low | 53.5 | Low | 153 Ų | 153 | 113.4 Ų | 113.4 | 82% | 0.818 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -100.9 | 5.8 | -179.7 | -71.9 | -45 | 0 | 0 | 0 | 115 | ||
| 286 | L | 48.2 | Very low | 50.4 | Low | 135 Ų | 135 | 117.3 Ų | 117.3 | 71% | 0.707 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -112 | 7.9 | -179 | -86 | 157.3 | 0 | 0 | 0 | 114.5 | W281 | W281-L286 HydrophobicContact CZ2-CD1 3.69Š|
| 287 | S | 41.4 | Very low | 47.5 | Very low | 96 Ų | 96 | 122.7 Ų | 122.7 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -123.7 | 15.6 | -173.8 | 49.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 288 | K | 39.7 | Very low | 44.7 | Very low | 188 Ų | 188 | 125.6 Ų | 125.6 | 82% | 0.817 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -105.5 | -3.5 | 179.8 | -82.6 | -173.6 | 179.3 | 175.3 | 0 | 117.6 | ||
| 289 | D | 40.2 | Very low | 42.2 | Very low | 157 Ų | 157 | 133.7 Ų | 133.7 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -122.8 | 71.1 | 174.5 | -71.5 | -31.9 | 0 | 0 | 0 | 110.8 | ||
| 290 | S | 41.7 | Very low | 40.2 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | trans | 173.2 | 76.9 | 155.1 | -77.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 291 | A | 34.3 | Very low | 38.5 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 88% | 0.884 | 77% | 0.774 | S | S | * | * | trans | -152.1 | 60.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 292 | A | 35.6 | Very low | 37.4 | Very low | 90 Ų | 90 | 138.3 Ų | 138.3 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -90.5 | 121.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 293 | Q | 37 | Very low | 36.3 | Very low | 177 Ų | 177 | 139 Ų | 139 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | 47.1 | 119.6 | 161.9 | -109.8 | 101 | -2.3 | 0 | 0 | 119.3 | ||||
| 294 | Q | 32.4 | Very low | 35.5 | Very low | 192 Ų | 192 | 140.9 Ų | 140.9 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | -170.4 | 121.4 | 109.5 | -98.4 | 167.7 | 32.6 | 0 | 0 | 112 | |||||
| 295 | K | 32 | Very low | 34.7 | Very low | 206 Ų | 206 | 143.4 Ų | 143.4 | 90% | 0.896 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -67 | 144.1 | 168.9 | -101.9 | 178.5 | 171.6 | -178.8 | 0 | 110.6 | ||
| 296 | P | 29.6 | Very low | 34.2 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 153.7 | 154.8 | 21.7 | -6.4 | 0 | 0 | 0 | 111.8 | ||
| 297 | P | 32.7 | Very low | 33.7 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 152.7 | -173.3 | 34.2 | -33.1 | 0 | 0 | 0 | 113.5 | ||
| 298 | E | 30.3 | Very low | 33.4 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 145.5 | 175.4 | -65.6 | 174.5 | 137.7 | 0 | 0 | 113.1 | ||
| 299 | H | 33 | Very low | 33.1 | Very low | 201 Ų | 201 | 143.5 Ų | 143.5 | 93% | 0.931 | 83% | 0.834 | S | S | * | * | trans | -134.9 | 131.9 | 152.1 | -103.3 | -102.4 | 0 | 0 | 0 | 110.1 | ||||
| 300 | K | 30.5 | Very low | 32.7 | Very low | 204 Ų | 204 | 144.1 Ų | 144.1 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | trans | -82.2 | 142.3 | -173.4 | -73.3 | 177.7 | 173.5 | 176.1 | 0 | 114.3 | ||||
| 301 | A | 28.4 | Very low | 32.4 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | trans | 168.7 | 142.6 | 132.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 302 | G | 28.6 | Very low | 32.6 | Very low | 76 Ų | 76 | 149.6 Ų | 149.6 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | cis | -170.9 | 147.5 | -1.2 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 303 | G | 28.1 | Very low | 33 | Very low | 82 Ų | 82 | 153.3 Ų | 153.3 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | trans | -84 | 172.3 | -150.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 304 | A | 29.9 | Very low | 33.6 | Very low | 95 Ų | 95 | 154.2 Ų | 154.2 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | -178.4 | 116 | 124.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 305 | K | 31.6 | Very low | 33.7 | Very low | 200 Ų | 200 | 148.6 Ų | 148.6 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | trans | 65.4 | 90 | 139.3 | -55.4 | -175.6 | 180 | -176.5 | 0 | 122.1 | ||||
| 306 | V | 32.2 | Very low | 34.1 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 76% | 0.758 | 82% | 0.82 | S | S | * | * | 12.8 | 147.7 | 112.3 | -176 | 0 | 0 | 0 | 0 | 118.2 | E308 | V306-E308 HydrophobicContact CG1-CB 4.42Š| |||
| 307 | P | 39.1 | Very low | 34.7 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 75% | 0.747 | 83% | 0.826 | S | S | * | * | cis | -126.4 | 140 | 29.3 | 20.1 | 4.9 | 0 | 0 | 0 | 116.6 | ||||
| 308 | E | 34.2 | Very low | 35 | Very low | 165 Ų | 165 | 150.5 Ų | 150.5 | 77% | 0.771 | 83% | 0.83 | S | S | * | * | 66.7 | 105.1 | 74 | -165 | 172.1 | -160.3 | 0 | 0 | 113.3 | V306 | V306-E308 HydrophobicContact CG1-CB 4.42Š| |||
| 309 | L | 33.4 | Very low | 35.3 | Very low | 169 Ų | 169 | 150.4 Ų | 150.4 | 89% | 0.885 | 83% | 0.832 | S | S | * | * | trans | -146.8 | 95.5 | 149 | -133.3 | 88.7 | 0 | 0 | 0 | 108.8 | ||||
| 310 | E | 32.9 | Very low | 35.6 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | trans | 2.3 | 118 | 143 | -155 | 168.4 | -159 | 0 | 0 | 116.1 | ||||
| 311 | F | 34.1 | Very low | 36 | Very low | 210 Ų | 210 | 142.5 Ų | 142.5 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -100.2 | 109.5 | 164.6 | -125.1 | -90.2 | 0 | 0 | 0 | 108.7 | Q313 | F311-Q313 PolarHBondContact O-N 2.89Š| ||
| 312 | D | 38.3 | Very low | 36.3 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | -65.7 | 124.4 | -176.7 | -149.5 | -5.1 | 0 | 0 | 0 | 110.7 | F314 | D312-F314 VanDerWaalsContact C-N 3.27Å; D312-F314 PolarHBondContact O-N 3.17Å | ||
| 313 | Q | 43.8 | Very low | 36.8 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -77.6 | 78.8 | 173.1 | -179.4 | 179.7 | 5.1 | 0 | 0 | 107.3 | F311 | F311-Q313 PolarHBondContact O-N 2.89Š|
| 314 | F | 50.2 | Low | 37.6 | Very low | 196 Ų | 196 | 151.1 Ų | 151.1 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | 158.8 | 81.4 | 157 | -83.3 | -63.1 | 0 | 0 | 0 | 109 | D312 | D312-F314 VanDerWaalsContact C-N 3.27Å; D312-F314 PolarHBondContact O-N 3.17Å | ||
| 315 | G | 34.1 | Very low | 38.2 | Very low | 75 Ų | 75 | 152.7 Ų | 152.7 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -117.8 | 107.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 316 | S | 40.7 | Very low | 38.4 | Very low | 116 Ų | 116 | 146.8 Ų | 146.8 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -65.7 | 145.5 | 169 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | R318 | S316-R318 PolarHBondContact O-N 3.26Š| ||
| 317 | P | 42.6 | Very low | 38.6 | Very low | 131 Ų | 131 | 152.5 Ų | 152.5 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -80.6 | 115.5 | 178.8 | 30.2 | -29.5 | 0 | 0 | 0 | 110.7 | ||||
| 318 | R | 38.3 | Very low | 38.5 | Very low | 236 Ų | 236 | 154.9 Ų | 154.9 | 89% | 0.891 | 83% | 0.83 | S | S | * | * | trans | -124.6 | 125.9 | 164.3 | -105.8 | -174.2 | -179.5 | 161.2 | 1.6 | 110.3 | S316 | S316-R318 PolarHBondContact O-N 3.26Š| ||
| 319 | M | 37.8 | Very low | 38.6 | Very low | 180 Ų | 180 | 152.9 Ų | 152.9 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | trans | 87.9 | 99.2 | 157.3 | -52.7 | -173.1 | 72.2 | 0 | 0 | 118.2 | ||||
| 320 | S | 38.3 | Very low | 38.9 | Very low | 117 Ų | 117 | 156.6 Ų | 156.6 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | -80 | 125.5 | 152.4 | 54.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 321 | S | 38.8 | Very low | 39.1 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 85% | 0.846 | 83% | 0.834 | S | S | * | * | trans | -85.6 | 124.8 | 148.1 | 42.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 322 | G | 36.3 | Very low | 38.9 | Very low | 64 Ų | 64 | 150.1 Ų | 150.1 | 66% | 0.66 | 83% | 0.828 | S | S | * | * | cis | 105.2 | 91.9 | 22.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 323 | L | 38.5 | Very low | 39.1 | Very low | 177 Ų | 177 | 150.5 Ų | 150.5 | 93% | 0.927 | 83% | 0.828 | S | S | * | * | trans | -171.2 | 109.9 | 154 | -95.2 | 171.4 | 0 | 0 | 0 | 109.9 | ||||
| 324 | F | 44.5 | Very low | 38.8 | Very low | 209 Ų | 209 | 149.5 Ų | 149.5 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | trans | -123.2 | 146.8 | 167.6 | -84.4 | -87.3 | 0 | 0 | 0 | 108.3 | ||||
| 325 | P | 42.8 | Very low | 38.6 | Very low | 128 Ų | 128 | 147 Ų | 147 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | trans | -114.7 | 131.2 | 148.4 | 29.4 | -15.7 | 0 | 0 | 0 | 108.9 | ||||
| 326 | G | 36 | Very low | 38.7 | Very low | 76 Ų | 76 | 150.4 Ų | 150.4 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | cis | 122 | 79.5 | 30.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 327 | W | 35.4 | Very low | 38.8 | Very low | 244 Ų | 244 | 151.2 Ų | 151.2 | 92% | 0.924 | 83% | 0.83 | S | S | * | * | trans | -95.9 | 144 | 174.1 | -97.9 | 47.8 | 0 | 0 | 0 | 111 | ||||
| 328 | Q | 38.2 | Very low | 39.8 | Very low | 166 Ų | 166 | 149.1 Ų | 149.1 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | 99.1 | 110 | 160.7 | -50 | -154.6 | 5.3 | 0 | 0 | 118.5 | ||||
| 329 | S | 36.2 | Very low | 39.7 | Very low | 122 Ų | 122 | 147 Ų | 147 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -143.6 | 126 | 132.2 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 330 | W | 39.4 | Very low | 40 | Very low | 248 Ų | 248 | 153.6 Ų | 153.6 | 94% | 0.939 | 83% | 0.825 | S | S | * | * | trans | -76.9 | 146.7 | 165.4 | -95.8 | 62.9 | 0 | 0 | 0 | 109.9 | ||||
| 331 | G | 36.8 | Very low | 40 | Very low | 71 Ų | 71 | 155.5 Ų | 155.5 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | trans | 132.3 | 83 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 332 | H | 29.6 | Very low | 40.1 | Very low | 172 Ų | 172 | 157.3 Ų | 157.3 | 80% | 0.796 | 82% | 0.824 | S | S | * | * | trans | -164.9 | 122.7 | 130.8 | -145.7 | -77.3 | 0 | 0 | 0 | 109.4 | D334 | H332-D334 IonicContact CE1-OD2 3.95Å; H332-D334 IonicContact ND1-OD2 3.18Å | ||
| 333 | I | 43.8 | Very low | 40.3 | Very low | 144 Ų | 144 | 162.4 Ų | 162.4 | 74% | 0.738 | 83% | 0.833 | S | S | * | * | trans | -77.8 | 135.4 | 164.7 | -81 | 154.5 | 0 | 0 | 0 | 106.8 | ||||
| 334 | D | 37 | Very low | 40.4 | Very low | 146 Ų | 146 | 161.6 Ų | 161.6 | 78% | 0.781 | 83% | 0.828 | S | S | * | * | trans | -153.2 | 132.1 | 136.2 | -95.9 | -36.7 | 0 | 0 | 0 | 111.7 | H332 | H332-D334 IonicContact CE1-OD2 3.95Å; H332-D334 IonicContact ND1-OD2 3.18Å | ||
| 335 | N | 45.4 | Very low | 40.2 | Very low | 145 Ų | 145 | 158.6 Ų | 158.6 | 78% | 0.775 | 82% | 0.822 | S | S | * | * | trans | -58.1 | 136.5 | 170.7 | -93.8 | -29.7 | 0 | 0 | 0 | 110.7 | ||||
| 336 | T | 37.2 | Very low | 40 | Very low | 145 Ų | 145 | 160.7 Ų | 160.7 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | -177.6 | 127.3 | 130.4 | 32.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 337 | V | 42.4 | Very low | 40.3 | Very low | 133 Ų | 133 | 166.7 Ų | 166.7 | 81% | 0.806 | 82% | 0.824 | S | S | * | * | trans | -100 | 178.9 | 158.5 | -136.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 338 | P | 62.3 | Low | 40.7 | Very low | 88 Ų | 88 | 160.8 Ų | 160.8 | 57% | 0.571 | 82% | 0.817 | S | S | * | * | cis | -123 | -157.5 | -39.8 | 21.9 | 2.4 | 0 | 0 | 0 | 111.3 | ||||
| 339 | Y | 36.2 | Very low | 40.9 | Very low | 190 Ų | 190 | 160.3 Ų | 160.3 | 75% | 0.745 | 82% | 0.82 | S | S | * | * | trans | 88.2 | 123.7 | 175.3 | -51.6 | -76.1 | 0 | 0 | 0 | 112.3 | ||||
| 340 | W | 44.3 | Very low | 41.3 | Very low | 320 Ų | 320 | 163.8 Ų | 163.8 | 100% | 1.212 | 82% | 0.817 | S | S | * | * | cis | -151.4 | 0 | 39 | -23 | -87.9 | 0 | 0 | 0 | 110.7 |
Retrieved 340 of 340 residues in 53.5 ms
(Link to these results)