| 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 | 51.7 | Low | 54.9 | Low | 193 Ų | 193 | 115.5 Ų | 115.5 | 95% | 0.951 | 59% | 0.592 | S | S | * | * | 0 | -40.2 | 0 | -92 | -159.4 | -80.7 | 0 | 0 | 113.1 | Q3 V4 I5 | M1-Q3 PolarHBondContact O-N 3.38Å; M1-V4 PolarHBondContact O-N 2.81Å; M1-I5 PolarHBondContact O-N 3.21Å | |||
| 2 | E | 41.7 | Very low | 54.6 | Low | 167 Ų | 167 | 115.9 Ų | 115.9 | 78% | 0.78 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.9 | -37.8 | -177.6 | -63.8 | -153.7 | 152.1 | 0 | 0 | 114.6 | V4 I5 T6 | E2-V4 VanDerWaalsContact C-N 3.32Å; E2-V4 PolarHBondContact O-N 3.05Å; E2-I5 PolarHBondContact O-N 3.13Å; E2-T6 PolarHBondContact O-N 3.12Å; E2-T6 PolarHBondContact O-OG1 3.45Å; E2-T6 VanDerWaalsContact O-OG1 3.13Å |
| 3 | Q | 50.2 | Low | 54 | Low | 163 Ų | 163 | 120 Ų | 120 | 76% | 0.762 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.3 | -30.3 | 179.7 | -64.7 | -166.4 | 16.2 | 0 | 0 | 114 | M1 L7 | M1-Q3 PolarHBondContact O-N 3.38Å; Q3-L7 PolarHBondContact O-N 3.06Å |
| 4 | V | 54.2 | Low | 53.9 | Low | 91 Ų | 91 | 119.6 Ų | 119.6 | 55% | 0.552 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73.2 | -37.4 | 179.4 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | M1 E2 T6 L7 I8 | M1-V4 PolarHBondContact O-N 2.81Å; E2-V4 VanDerWaalsContact C-N 3.32Å; E2-V4 PolarHBondContact O-N 3.05Å; V4-T6 VanDerWaalsContact C-N 3.33Å; V4-T6 PolarHBondContact O-N 3.33Å; V4-L7 PolarHBondContact O-N 3.22Å; V4-I8 HydrophobicContact CG1-CD1 4.12Å; V4-I8 WeakPolarHBondContact O-CG1 3.22Å; V4-I8 PolarHBondContact O-N 3.11Å; V4-I8 VanDerWaalsContact O-N 3.11Å |
| 5 | I | 53.2 | Low | 53.3 | Low | 94 Ų | 94 | 122.9 Ų | 122.9 | 48% | 0.482 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.3 | -39.5 | 177 | -63.6 | 170.1 | 0 | 0 | 0 | 110.3 | M1 E2 L7 I8 L9 | M1-I5 PolarHBondContact O-N 3.21Å; E2-I5 PolarHBondContact O-N 3.13Å; I5-L7 VanDerWaalsContact C-N 3.33Å; I5-L7 PolarHBondContact O-N 3.46Å; I5-I8 PolarHBondContact O-N 3.36Å; I5-L9 HydrophobicContact CG2-CD1 4.11Å; I5-L9 WeakPolarHBondContact O-CG 3.49Å; I5-L9 PolarHBondContact O-N 3.37Å; I5-L9 VanDerWaalsContact O-N 3.09Å |
| 6 | T | 57.6 | Low | 52.9 | Low | 73 Ų | 73 | 120.4 Ų | 120.4 | 45% | 0.448 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.7 | -34.5 | 176.2 | -46.2 | 0 | 0 | 0 | 0 | 112.8 | E2 V4 K10 | E2-T6 PolarHBondContact O-N 3.12Å; E2-T6 PolarHBondContact O-OG1 3.45Å; E2-T6 VanDerWaalsContact O-OG1 3.13Å; V4-T6 VanDerWaalsContact C-N 3.33Å; V4-T6 PolarHBondContact O-N 3.33Å; T6-K10 WeakPolarHBondContact O-CG 3.23Å; T6-K10 PolarHBondContact O-N 3.06Å; T6-K10 VanDerWaalsContact O-N 3.13Å |
| 7 | L | 55.5 | Low | 52.4 | Low | 122 Ų | 122 | 124.6 Ų | 124.6 | 64% | 0.639 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.9 | -42.2 | 176.3 | -89.9 | 157.8 | 0 | 0 | 0 | 112.3 | Q3 V4 I5 L9 K10 S11 | Q3-L7 PolarHBondContact O-N 3.06Å; V4-L7 PolarHBondContact O-N 3.22Å; I5-L7 VanDerWaalsContact C-N 3.33Å; I5-L7 PolarHBondContact O-N 3.46Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.42Å; L7-K10 PolarHBondContact O-N 3.38Å; L7-S11 PolarHBondContact O-N 3.13Å |
| 8 | I | 61 | Low | 52.2 | Low | 91 Ų | 91 | 123.7 Ų | 123.7 | 47% | 0.467 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.7 | -38.1 | 177 | -65.2 | 168.9 | 0 | 0 | 0 | 111.2 | V4 I5 K10 S11 F12 | V4-I8 HydrophobicContact CG1-CD1 4.12Å; V4-I8 WeakPolarHBondContact O-CG1 3.22Å; V4-I8 PolarHBondContact O-N 3.11Å; V4-I8 VanDerWaalsContact O-N 3.11Å; I5-I8 PolarHBondContact O-N 3.36Å; I8-K10 VanDerWaalsContact C-N 3.34Å; I8-K10 PolarHBondContact O-N 3.09Å; I8-S11 PolarHBondContact O-N 3.28Å; I8-S11 PolarHBondContact O-OG 3.33Å; I8-F12 HydrophobicContact CG2-CD2 4.11Å; I8-F12 HydrophobicContact CG2-CE2 4.38Å; I8-F12 PolarHBondContact O-N 3.12Å; I8-F12 VanDerWaalsContact O-N 3.17Å |
| 9 | L | 59.1 | Low | 51.9 | Low | 67 Ų | 67 | 128.8 Ų | 128.8 | 35% | 0.351 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -67.6 | -34.5 | 176.1 | -72 | 170.4 | 0 | 0 | 0 | 112.5 | I5 L7 F13 F29 L33 | I5-L9 HydrophobicContact CG2-CD1 4.11Å; I5-L9 WeakPolarHBondContact O-CG 3.49Å; I5-L9 PolarHBondContact O-N 3.37Å; I5-L9 VanDerWaalsContact O-N 3.09Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.42Å; L9-F13 WeakPolarHBondContact O-CB 3.47Å; L9-F13 PolarHBondContact O-N 3.24Å; L9-F29 HydrophobicContact CD2-CE1 3.79Å; L9-L33 HydrophobicContact CD2-CD1 4.48Å |
| 10 | K | 61.6 | Low | 51.8 | Low | 143 Ų | 143 | 128.3 Ų | 128.3 | 62% | 0.622 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72.2 | -36.1 | 175.8 | -79.2 | -179.6 | 176.1 | -179.1 | 0 | 112.6 | T6 L7 I8 V14 | T6-K10 WeakPolarHBondContact O-CG 3.23Å; T6-K10 PolarHBondContact O-N 3.06Å; T6-K10 VanDerWaalsContact O-N 3.13Å; L7-K10 PolarHBondContact O-N 3.38Å; I8-K10 VanDerWaalsContact C-N 3.34Å; I8-K10 PolarHBondContact O-N 3.09Å; K10-V14 WeakPolarHBondContact O-CG2 3.39Å |
| 11 | S | 57.7 | Low | 51.9 | Low | 66 Ų | 66 | 128.8 Ų | 128.8 | 46% | 0.462 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69.7 | -40.9 | 177.9 | 63.9 | 0 | 0 | 0 | 0 | 112 | L7 I8 F13 V14 | L7-S11 PolarHBondContact O-N 3.13Å; I8-S11 PolarHBondContact O-N 3.28Å; I8-S11 PolarHBondContact O-OG 3.33Å; S11-F13 PolarHBondContact O-N 2.79Å; S11-V14 PolarHBondContact O-N 3.37Å |
| 12 | F | 51.2 | Low | 52.1 | Low | 121 Ų | 121 | 124.5 Ų | 124.5 | 53% | 0.531 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -67.9 | -33 | 177.4 | -95 | -86.1 | 0 | 0 | 0 | 113.6 | I8 V14 E15 F29 | I8-F12 HydrophobicContact CG2-CD2 4.11Å; I8-F12 HydrophobicContact CG2-CE2 4.38Å; I8-F12 PolarHBondContact O-N 3.12Å; I8-F12 VanDerWaalsContact O-N 3.17Å; F12-V14 VanDerWaalsContact C-N 3.25Å; F12-V14 PolarHBondContact O-N 3.33Å; F12-E15 PolarHBondContact O-N 3.35Å; F12-F29 HydrophobicContact CB-CE2 4.49Å; F12-F29 HydrophobicContact CB-CZ 4.05Å; F12-F29 HydrophobicContact CG-CZ 4.49Å |
| 13 | F | 47.7 | Very low | 52.8 | Low | 169 Ų | 169 | 124 Ų | 124 | 74% | 0.741 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.9 | -22.5 | 178.3 | -167.8 | -100.5 | 0 | 0 | 0 | 113.2 | L9 S11 | L9-F13 WeakPolarHBondContact O-CB 3.47Å; L9-F13 PolarHBondContact O-N 3.24Å; S11-F13 PolarHBondContact O-N 2.79Å |
| 14 | V | 51.9 | Low | 53.3 | Low | 114 Ų | 114 | 118.9 Ų | 118.9 | 69% | 0.691 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -76.1 | -26 | 178.3 | 170 | 0 | 0 | 0 | 0 | 112 | K10 S11 F12 | K10-V14 WeakPolarHBondContact O-CG2 3.39Å; S11-V14 PolarHBondContact O-N 3.37Å; F12-V14 VanDerWaalsContact C-N 3.25Å; F12-V14 PolarHBondContact O-N 3.33Å |
| 15 | E | 45.5 | Very low | 53.4 | Low | 170 Ų | 170 | 117 Ų | 117 | 79% | 0.794 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -93.7 | -18.8 | -168.7 | -148.1 | 146.4 | -155.2 | 0 | 0 | 113.8 | F12 K17 | F12-E15 PolarHBondContact O-N 3.35Å; E15-K17 PolarHBondContact O-N 3.42Å |
| 16 | S | 46.6 | Very low | 53.8 | Low | 83 Ų | 83 | 116.3 Ų | 116.3 | 58% | 0.58 | 62% | 0.62 | S | S | * | * | trans | -94.7 | 56.8 | 176.6 | 61.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 17 | K | 44.9 | Very low | 54.2 | Low | 191 Ų | 191 | 118.4 Ų | 118.4 | 83% | 0.83 | 63% | 0.628 | S | S | * | * | trans | -96.1 | 67.5 | 161.8 | -81.2 | -170.3 | 178.4 | 177.5 | 0 | 110.1 | E15 | E15-K17 PolarHBondContact O-N 3.42Š| ||
| 18 | T | 48.2 | Very low | 54.7 | Low | 108 Ų | 108 | 121.3 Ų | 121.3 | 66% | 0.663 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -128.6 | 144.2 | 154.3 | 53.8 | 0 | 0 | 0 | 0 | 109.7 | I20 | T18-I20 VanDerWaalsContact C-N 3.26Å; T18-I20 PolarHBondContact O-N 3.46Å |
| 19 | K | 45.9 | Very low | 55.1 | Low | 221 Ų | 221 | 121.7 Ų | 121.7 | 96% | 0.961 | 63% | 0.63 | S | S | * | * | trans | -60.3 | 79.6 | -170.2 | -158.7 | 176.9 | -171.1 | -179 | 0 | 110.5 | ||||
| 20 | I | 51 | Low | 55.7 | Low | 118 Ų | 118 | 121.2 Ų | 121.2 | 61% | 0.605 | 63% | 0.633 | S | S | * | * | trans | -122 | 130 | 173.8 | -49.8 | 169.8 | 0 | 0 | 0 | 105.2 | T18 S22 | T18-I20 VanDerWaalsContact C-N 3.26Å; T18-I20 PolarHBondContact O-N 3.46Å; I20-S22 PolarHBondContact O-N 2.99Å; I20-S22 VanDerWaalsContact O-N 3.1Å | ||
| 21 | N | 52.7 | Low | 56.2 | Low | 140 Ų | 140 | 119 Ų | 119 | 75% | 0.749 | 63% | 0.625 | S | S | * | * | trans | -45.4 | 119.1 | -176.9 | -76.8 | -23.5 | 0 | 0 | 0 | 110.7 | E23 A24 | N21-E23 PolarHBondContact O-N 2.9Å; N21-A24 PolarHBondContact O-N 2.91Å | ||
| 22 | S | 57.5 | Low | 56.9 | Low | 102 Ų | 102 | 118.3 Ų | 118.3 | 71% | 0.713 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -58.3 | -24.3 | -166.7 | 53.8 | 0 | 0 | 0 | 0 | 114.2 | I20 S26 | I20-S22 PolarHBondContact O-N 2.99Å; I20-S22 VanDerWaalsContact O-N 3.1Å; S22-S26 VanDerWaalsContact O-CB 3.31Å; S22-S26 WeakPolarHBondContact O-CB 3.12Å; S22-S26 PolarHBondContact O-N 3.21Å |
| 23 | E | 56.3 | Low | 57.9 | Low | 157 Ų | 157 | 115.9 Ų | 115.9 | 73% | 0.734 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.6 | -42.1 | 176.1 | -89.9 | -177.6 | 145.8 | 0 | 0 | 113.6 | N21 S26 L27 | N21-E23 PolarHBondContact O-N 2.9Å; E23-S26 PolarHBondContact O-N 3.3Å; E23-L27 PolarHBondContact O-N 3.32Å |
| 24 | A | 59 | Low | 59.2 | Low | 56 Ų | 56 | 112.2 Ų | 112.2 | 46% | 0.463 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.5 | -37.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | N21 Y28 | N21-A24 PolarHBondContact O-N 2.91Å; A24-Y28 PolarHBondContact O-N 3.22Å; A24-Y28 VanDerWaalsContact O-N 3.14Å |
| 25 | A | 57.4 | Low | 60 | Low | 52 Ų | 52 | 114.3 Ų | 114.3 | 43% | 0.43 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.6 | -39.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F29 | A25-F29 WeakPolarHBondContact O-CB 3.48Å; A25-F29 PolarHBondContact O-N 3.04Å; A25-F29 VanDerWaalsContact O-N 3.08Å |
| 26 | S | 61.9 | Low | 60.9 | Low | 78 Ų | 78 | 109.6 Ų | 109.6 | 55% | 0.545 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.4 | -47.3 | 175.9 | 175.4 | 0 | 0 | 0 | 0 | 112.2 | S22 E23 F29 S30 | S22-S26 VanDerWaalsContact O-CB 3.31Å; S22-S26 WeakPolarHBondContact O-CB 3.12Å; S22-S26 PolarHBondContact O-N 3.21Å; E23-S26 PolarHBondContact O-N 3.3Å; S26-F29 PolarHBondContact O-N 3.19Å; S26-S30 PolarHBondContact O-N 3.45Å |
| 27 | L | 65.3 | Low | 62 | Low | 117 Ų | 117 | 109.5 Ų | 109.5 | 61% | 0.613 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.1 | -47.4 | 178.6 | -85 | 163.3 | 0 | 0 | 0 | 112 | E23 F29 S30 E31 | E23-L27 PolarHBondContact O-N 3.32Å; L27-F29 VanDerWaalsContact C-N 3.3Å; L27-F29 PolarHBondContact O-N 3.01Å; L27-S30 PolarHBondContact O-N 2.85Å; L27-S30 PolarHBondContact O-OG 3.16Å; L27-E31 PolarHBondContact O-N 3.27Å |
| 28 | Y | 66.5 | Low | 63 | Low | 184 Ų | 184 | 103 Ų | 103 | 72% | 0.722 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.9 | -40.3 | 178.3 | -117.6 | -91.3 | 0 | 0 | 0 | 112.3 | A24 E31 A32 | A24-Y28 PolarHBondContact O-N 3.22Å; A24-Y28 VanDerWaalsContact O-N 3.14Å; Y28-E31 PolarHBondContact O-N 2.9Å; Y28-A32 WeakPolarHBondContact O-CB 3.12Å; Y28-A32 PolarHBondContact O-N 3.27Å |
| 29 | F | 68.4 | Low | 63.6 | Low | 98 Ų | 98 | 102.7 Ų | 102.7 | 43% | 0.43 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.8 | -38.7 | 179.4 | -144.2 | -88.6 | 0 | 0 | 0 | 111.7 | L9 F12 A25 S26 L27 E31 A32 L33 | L9-F29 HydrophobicContact CD2-CE1 3.79Å; F12-F29 HydrophobicContact CB-CE2 4.49Å; F12-F29 HydrophobicContact CB-CZ 4.05Å; F12-F29 HydrophobicContact CG-CZ 4.49Å; A25-F29 WeakPolarHBondContact O-CB 3.48Å; A25-F29 PolarHBondContact O-N 3.04Å; A25-F29 VanDerWaalsContact O-N 3.08Å; S26-F29 PolarHBondContact O-N 3.19Å; L27-F29 VanDerWaalsContact C-N 3.3Å; L27-F29 PolarHBondContact O-N 3.01Å; F29-E31 VanDerWaalsContact C-N 3.32Å; F29-E31 PolarHBondContact O-N 2.95Å; F29-A32 PolarHBondContact O-N 2.87Å; F29-L33 VanDerWaalsContact O-CB 3.29Å; F29-L33 WeakPolarHBondContact O-CB 3.31Å; F29-L33 PolarHBondContact O-N 3.49Å |
| 30 | S | 72.2 | Confident | 64 | Low | 58 Ų | 58 | 95.1 Ų | 95.1 | 41% | 0.406 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 175.1 | 80.4 | 0 | 0 | 0 | 0 | 112 | S26 L27 T34 | S26-S30 PolarHBondContact O-N 3.45Å; L27-S30 PolarHBondContact O-N 2.85Å; L27-S30 PolarHBondContact O-OG 3.16Å; S30-T34 WeakPolarHBondContact O-CB 3.46Å; S30-T34 PolarHBondContact O-N 2.94Å; S30-T34 PolarHBondContact O-OG1 3.45Å |
| 31 | E | 72.3 | Confident | 64.3 | Low | 97 Ų | 97 | 98.6 Ų | 98.6 | 45% | 0.453 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.9 | -43 | 179.9 | -134.5 | -167.1 | 143.1 | 0 | 0 | 111.2 | L27 Y28 F29 T34 R35 | L27-E31 PolarHBondContact O-N 3.27Å; Y28-E31 PolarHBondContact O-N 2.9Å; F29-E31 VanDerWaalsContact C-N 3.32Å; F29-E31 PolarHBondContact O-N 2.95Å; E31-T34 PolarHBondContact O-N 3.29Å; E31-R35 WeakPolarHBondContact O-CG 3.24Å; E31-R35 PolarHBondContact O-N 3.43Å; E31-R35 IonicContact OE1-CZ 3.7Å; E31-R35 IonicContact OE1-NE 3.89Å; E31-R35 IonicContact OE1-NH2 2.84Å; E31-R35 PolarHBondContact OE1-NH2 3.33Å |
| 32 | A | 71.4 | Confident | 64.3 | Low | 50 Ų | 50 | 99.1 Ų | 99.1 | 41% | 0.413 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y28 F29 R35 S36 | Y28-A32 WeakPolarHBondContact O-CB 3.12Å; Y28-A32 PolarHBondContact O-N 3.27Å; F29-A32 PolarHBondContact O-N 2.87Å; A32-R35 PolarHBondContact O-N 2.94Å; A32-S36 WeakPolarHBondContact O-CB 3.09Å; A32-S36 PolarHBondContact O-N 3.43Å; A32-S36 PolarHBondContact O-OG 2.72Å |
| 33 | L | 73 | Confident | 63.7 | Low | 70 Ų | 70 | 100.6 Ų | 100.6 | 37% | 0.366 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 176.2 | -170.5 | 70 | 0 | 0 | 0 | 111.1 | L9 F29 S36 I37 | L9-L33 HydrophobicContact CD2-CD1 4.48Å; F29-L33 VanDerWaalsContact O-CB 3.29Å; F29-L33 WeakPolarHBondContact O-CB 3.31Å; F29-L33 PolarHBondContact O-N 3.49Å; L33-S36 PolarHBondContact O-N 3.1Å; L33-I37 HydrophobicContact CG-CD1 3.98Å; L33-I37 VanDerWaalsContact O-CG1 3.28Å; L33-I37 WeakPolarHBondContact O-CG1 3.03Å; L33-I37 PolarHBondContact O-N 2.88Å |
| 34 | T | 75 | Confident | 63 | Low | 93 Ų | 93 | 101.5 Ų | 101.5 | 57% | 0.571 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.4 | -42.4 | 178 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | S30 E31 I37 A38 | S30-T34 WeakPolarHBondContact O-CB 3.46Å; S30-T34 PolarHBondContact O-N 2.94Å; S30-T34 PolarHBondContact O-OG1 3.45Å; E31-T34 PolarHBondContact O-N 3.29Å; T34-I37 PolarHBondContact O-N 3.27Å; T34-A38 WeakPolarHBondContact O-CB 3.24Å; T34-A38 PolarHBondContact O-N 2.82Å |
| 35 | R | 68.6 | Low | 62.1 | Low | 158 Ų | 158 | 108.7 Ų | 108.7 | 60% | 0.596 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.4 | -41.2 | 173.7 | -72 | 179.6 | -170.9 | -176.3 | 7.3 | 112.1 | E31 A32 A38 I39 | E31-R35 WeakPolarHBondContact O-CG 3.24Å; E31-R35 PolarHBondContact O-N 3.43Å; E31-R35 IonicContact OE1-CZ 3.7Å; E31-R35 IonicContact OE1-NE 3.89Å; E31-R35 IonicContact OE1-NH2 2.84Å; E31-R35 PolarHBondContact OE1-NH2 3.33Å; A32-R35 PolarHBondContact O-N 2.94Å; R35-A38 PolarHBondContact O-N 3.04Å; R35-I39 WeakPolarHBondContact O-CG1 3.08Å; R35-I39 PolarHBondContact O-N 3.15Å |
| 36 | S | 65.8 | Low | 61.4 | Low | 71 Ų | 71 | 112.4 Ų | 112.4 | 50% | 0.497 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.5 | -42 | 178.4 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | A32 L33 A38 I39 A40 | A32-S36 WeakPolarHBondContact O-CB 3.09Å; A32-S36 PolarHBondContact O-N 3.43Å; A32-S36 PolarHBondContact O-OG 2.72Å; L33-S36 PolarHBondContact O-N 3.1Å; S36-A38 VanDerWaalsContact C-N 3.34Å; S36-I39 PolarHBondContact O-N 3.19Å; S36-A40 WeakPolarHBondContact O-CB 3.01Å; S36-A40 PolarHBondContact O-N 3.37Å |
| 37 | I | 69.7 | Low | 60 | Low | 81 Ų | 81 | 113 Ų | 113 | 42% | 0.415 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.1 | -35.4 | 175.6 | -67.8 | 167 | 0 | 0 | 0 | 111.1 | L33 T34 A40 R41 | L33-I37 HydrophobicContact CG-CD1 3.98Å; L33-I37 VanDerWaalsContact O-CG1 3.28Å; L33-I37 WeakPolarHBondContact O-CG1 3.03Å; L33-I37 PolarHBondContact O-N 2.88Å; T34-I37 PolarHBondContact O-N 3.27Å; I37-A40 PolarHBondContact O-N 3.29Å; I37-R41 WeakPolarHBondContact O-CB 3.46Å; I37-R41 PolarHBondContact O-N 3.01Å |
| 38 | A | 64.4 | Low | 58.8 | Low | 53 Ų | 53 | 115.8 Ų | 115.8 | 44% | 0.438 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T34 R35 S36 R41 Q42 | T34-A38 WeakPolarHBondContact O-CB 3.24Å; T34-A38 PolarHBondContact O-N 2.82Å; R35-A38 PolarHBondContact O-N 3.04Å; S36-A38 VanDerWaalsContact C-N 3.34Å; A38-R41 PolarHBondContact O-N 3.15Å; A38-Q42 PolarHBondContact O-N 3.16Å; A38-Q42 VanDerWaalsContact O-N 3.07Å |
| 39 | I | 60.5 | Low | 57.6 | Low | 102 Ų | 102 | 111.4 Ų | 111.4 | 52% | 0.523 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.5 | -42.9 | 175.1 | -65.3 | 165.2 | 0 | 0 | 0 | 110.5 | R35 S36 R41 Q42 N43 | R35-I39 WeakPolarHBondContact O-CG1 3.08Å; R35-I39 PolarHBondContact O-N 3.15Å; S36-I39 PolarHBondContact O-N 3.19Å; I39-R41 VanDerWaalsContact C-N 3.29Å; I39-R41 PolarHBondContact O-N 3.07Å; I39-Q42 PolarHBondContact O-N 2.88Å; I39-N43 PolarHBondContact O-N 2.83Å; I39-N43 VanDerWaalsContact O-N 3.15Å |
| 40 | A | 55.4 | Low | 56.7 | Low | 63 Ų | 63 | 112.7 Ų | 112.7 | 52% | 0.521 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.9 | -31 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S36 I37 | S36-A40 WeakPolarHBondContact O-CB 3.01Å; S36-A40 PolarHBondContact O-N 3.37Å; I37-A40 PolarHBondContact O-N 3.29Å |
| 41 | R | 57.3 | Low | 56 | Low | 191 Ų | 191 | 114 Ų | 114 | 72% | 0.721 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73.4 | -30.4 | 173.5 | -91.8 | -179.5 | 159.5 | 149.9 | -3.6 | 113.3 | I37 A38 I39 | I37-R41 WeakPolarHBondContact O-CB 3.46Å; I37-R41 PolarHBondContact O-N 3.01Å; A38-R41 PolarHBondContact O-N 3.15Å; I39-R41 VanDerWaalsContact C-N 3.29Å; I39-R41 PolarHBondContact O-N 3.07Å |
| 42 | Q | 52.3 | Low | 55.3 | Low | 150 Ų | 150 | 112.5 Ų | 112.5 | 70% | 0.701 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.1 | -37.8 | 173.2 | -83.6 | -178.7 | -25.7 | 0 | 0 | 112 | A38 I39 K44 R45 | A38-Q42 PolarHBondContact O-N 3.16Å; A38-Q42 VanDerWaalsContact O-N 3.07Å; I39-Q42 PolarHBondContact O-N 2.88Å; Q42-K44 PolarHBondContact O-N 3.06Å; Q42-K44 VanDerWaalsContact O-N 3.15Å; Q42-R45 PolarHBondContact O-N 2.65Å |
| 43 | N | 45.9 | Very low | 55 | Low | 134 Ų | 134 | 116.8 Ų | 116.8 | 72% | 0.717 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -4.4 | 178.5 | -81.1 | -6.1 | 0 | 0 | 0 | 115 | I39 | I39-N43 PolarHBondContact O-N 2.83Å; I39-N43 VanDerWaalsContact O-N 3.15Å |
| 44 | K | 41.6 | Very low | 55.3 | Low | 175 Ų | 175 | 118.4 Ų | 118.4 | 76% | 0.761 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | 9.9 | 175.2 | -152.9 | 170.8 | -178.7 | 177.9 | 0 | 113.7 | Q42 | Q42-K44 PolarHBondContact O-N 3.06Å; Q42-K44 VanDerWaalsContact O-N 3.15Å |
| 45 | R | 38.4 | Very low | 55.9 | Low | 208 Ų | 208 | 119.2 Ų | 119.2 | 79% | 0.785 | 63% | 0.629 | S | S | * | * | trans | -129.8 | 58.9 | 174.6 | -80.7 | -176 | 176.8 | 153.8 | -2.9 | 111.6 | Q42 | Q42-R45 PolarHBondContact O-N 2.65Š| ||
| 46 | T | 42.4 | Very low | 56.7 | Low | 129 Ų | 129 | 114 Ų | 114 | 79% | 0.791 | 62% | 0.62 | S | S | * | * | trans | -106.5 | 62.9 | 148.3 | 48 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 47 | S | 34.4 | Very low | 57.7 | Low | 90 Ų | 90 | 112.9 Ų | 112.9 | 63% | 0.629 | 61% | 0.605 | S | S | * | * | trans | -86.9 | 112.4 | 160.6 | 50.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 48 | L | 40 | Very low | 58.6 | Low | 176 Ų | 176 | 115.8 Ų | 115.8 | 92% | 0.921 | 61% | 0.614 | S | S | * | * | trans | 60.1 | 60 | 161.9 | -61.5 | 159.5 | 0 | 0 | 0 | 115.1 | ||||
| 49 | S | 40.5 | Very low | 59.9 | Low | 92 Ų | 92 | 118.1 Ų | 118.1 | 64% | 0.643 | 62% | 0.618 | S | S | * | * | trans | -75.4 | 139.2 | 150.8 | 52.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 50 | D | 50 | Low | 61.2 | Low | 125 Ų | 125 | 116.3 Ų | 116.3 | 67% | 0.668 | 61% | 0.608 | S | S | * | * | trans | -42.5 | 132.8 | 175.4 | -90.7 | -42.9 | 0 | 0 | 0 | 110 | L52 D53 | D50-L52 PolarHBondContact O-N 3.49Å; D50-D53 PolarHBondContact O-N 3.43Å | ||
| 51 | P | 56.7 | Low | 62.7 | Low | 87 Ų | 87 | 120.1 Ų | 120.1 | 57% | 0.565 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -57.5 | -12.3 | -175.9 | 19.6 | -29.6 | 0 | 0 | 0 | 112.9 | W57 | P51-W57 PolarHBondContact O-NE1 2.91Š|
| 52 | L | 58.1 | Low | 64.3 | Low | 64 Ų | 64 | 119.5 Ų | 119.5 | 34% | 0.335 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -86.6 | -10.4 | -174.4 | -61.9 | 174.3 | 0 | 0 | 0 | 115.9 | D50 D54 W57 R61 | D50-L52 PolarHBondContact O-N 3.49Å; L52-D54 VanDerWaalsContact C-N 3.32Å; L52-W57 HydrophobicContact CD2-CD2 3.78Å; L52-W57 HydrophobicContact CD2-CE3 3.71Å; L52-W57 HydrophobicContact CD2-CG 4.31Å; L52-W57 HydrophobicContact CD2-CH2 4.41Å; L52-W57 HydrophobicContact CD2-CZ2 4.44Å; L52-W57 HydrophobicContact CD2-CZ3 4.03Å; L52-W57 WeakPolarHBondContact O-CB 3.48Å; L52-R61 PolarHBondContact O-NH2 2.95Å; L52-R61 VanDerWaalsContact O-NH2 3.12Å |
| 53 | D | 65.2 | Low | 66 | Low | 140 Ų | 140 | 118.5 Ų | 118.5 | 75% | 0.749 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -88.8 | -0.6 | 177.6 | -104.7 | -4.7 | 0 | 0 | 0 | 113.6 | D50 | D50-D53 PolarHBondContact O-N 3.43Š|
| 54 | D | 79.5 | Confident | 68 | Low | 105 Ų | 105 | 115.1 Ų | 115.1 | 56% | 0.561 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -68.2 | 142.8 | 177.4 | -135.4 | -17.8 | 0 | 0 | 0 | 111.2 | L52 A56 W57 K58 | L52-D54 VanDerWaalsContact C-N 3.32Å; D54-A56 PolarHBondContact O-N 3Å; D54-W57 PolarHBondContact O-N 3.45Å; D54-K58 PolarHBondContact O-N 2.89Å |
| 55 | V | 87.3 | Confident | 70.1 | Confident | 109 Ų | 109 | 108.4 Ų | 108.4 | 66% | 0.661 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -53.7 | -35.6 | -177.9 | 175.3 | 0 | 0 | 0 | 0 | 111 | K58 I59 | V55-K58 PolarHBondContact O-N 2.77Å; V55-I59 HydrophobicContact CG1-CD1 4.18Å; V55-I59 WeakPolarHBondContact O-CG1 3.44Å; V55-I59 PolarHBondContact O-N 3.38Å |
| 56 | A | 86.2 | Confident | 72.3 | Confident | 50 Ų | 50 | 104.7 Ų | 104.7 | 41% | 0.413 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.9 | -43.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | D54 K58 I59 M60 | D54-A56 PolarHBondContact O-N 3Å; A56-K58 VanDerWaalsContact C-N 3.31Å; A56-K58 PolarHBondContact O-N 3.48Å; A56-I59 PolarHBondContact O-N 3.25Å; A56-M60 WeakPolarHBondContact O-CG 3.45Å; A56-M60 PolarHBondContact O-N 2.98Å |
| 57 | W | 86 | Confident | 74.2 | Confident | 47 Ų | 47 | 104.9 Ų | 104.9 | 18% | 0.178 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -67.8 | -32 | 179.6 | -83 | 98.7 | 0 | 0 | 0 | 113 | P51 L52 D54 M60 R61 Y65 H67 | P51-W57 PolarHBondContact O-NE1 2.91Å; L52-W57 HydrophobicContact CD2-CD2 3.78Å; L52-W57 HydrophobicContact CD2-CE3 3.71Å; L52-W57 HydrophobicContact CD2-CG 4.31Å; L52-W57 HydrophobicContact CD2-CH2 4.41Å; L52-W57 HydrophobicContact CD2-CZ2 4.44Å; L52-W57 HydrophobicContact CD2-CZ3 4.03Å; L52-W57 WeakPolarHBondContact O-CB 3.48Å; D54-W57 PolarHBondContact O-N 3.45Å; W57-M60 HydrophobicContact CD2-CE 4.18Å; W57-M60 HydrophobicContact CE3-CE 4.43Å; W57-M60 PolarHBondContact O-N 3.13Å; W57-R61 PolarHBondContact O-N 3.03Å; W57-Y65 AromaticContact CH2-CE1 3.81Å; W57-Y65 HydrophobicContact CH2-CE1 3.81Å; W57-Y65 AromaticContact CZ3-CD1 3.87Å; W57-Y65 HydrophobicContact CZ3-CD1 3.87Å; W57-Y65 AromaticContact CZ3-CE1 3.51Å; W57-Y65 HydrophobicContact CZ3-CE1 3.51Å; W57-H67 AromaticContact CH2-CE1 3.82Å; W57-H67 AromaticContact CH2-ND1 3.08Å; W57-H67 WeakPolarHBondContact CH2-ND1 3.36Å; W57-H67 AromaticContact CZ2-ND1 3.8Å; W57-H67 HydrophobicContact CZ3-CB 4.22Å; W57-H67 AromaticContact CZ3-ND1 3.46Å; W57-H67 WeakPolarHBondContact CZ3-ND1 3.37Å |
| 58 | K | 88.9 | Confident | 76.5 | Confident | 141 Ų | 141 | 103 Ų | 103 | 61% | 0.613 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.6 | -37.8 | 173.9 | -167.6 | 172.7 | -174.7 | 171.9 | 0 | 111.8 | D54 V55 A56 K62 | D54-K58 PolarHBondContact O-N 2.89Å; V55-K58 PolarHBondContact O-N 2.77Å; A56-K58 VanDerWaalsContact C-N 3.31Å; A56-K58 PolarHBondContact O-N 3.48Å; K58-K62 PolarHBondContact O-N 3.3Å |
| 59 | I | 90.6 | Very high | 78.6 | Confident | 103 Ų | 103 | 99.1 Ų | 99.1 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.7 | -45.3 | 174.1 | -64.7 | 167.7 | 0 | 0 | 0 | 110.1 | V55 A56 R61 K62 I63 | V55-I59 HydrophobicContact CG1-CD1 4.18Å; V55-I59 WeakPolarHBondContact O-CG1 3.44Å; V55-I59 PolarHBondContact O-N 3.38Å; A56-I59 PolarHBondContact O-N 3.25Å; I59-R61 PolarHBondContact O-N 3.44Å; I59-K62 WeakPolarHBondContact O-CB 3.4Å; I59-K62 PolarHBondContact O-N 2.99Å; I59-K62 VanDerWaalsContact O-N 3.09Å; I59-I63 PolarHBondContact O-N 2.78Å |
| 60 | M | 88 | Confident | 80.6 | Confident | 63 Ų | 63 | 95.1 Ų | 95.1 | 31% | 0.31 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 178.5 | -75 | -161.7 | -92.9 | 0 | 0 | 112.6 | A56 W57 K62 I63 G64 Y65 | A56-M60 WeakPolarHBondContact O-CG 3.45Å; A56-M60 PolarHBondContact O-N 2.98Å; W57-M60 HydrophobicContact CD2-CE 4.18Å; W57-M60 HydrophobicContact CE3-CE 4.43Å; W57-M60 PolarHBondContact O-N 3.13Å; M60-K62 VanDerWaalsContact C-N 3.31Å; M60-K62 PolarHBondContact O-N 2.92Å; M60-I63 WeakPolarHBondContact O-CG1 3.11Å; M60-I63 PolarHBondContact O-N 3.27Å; M60-G64 PolarHBondContact O-N 2.92Å; M60-Y65 HydrophobicContact CB-CD1 4.05Å; M60-Y65 HydrophobicContact CB-CG 4.32Å; M60-Y65 VanDerWaalsContact O-CB 3.24Å; M60-Y65 WeakPolarHBondContact O-CB 3.18Å; M60-Y65 PolarHBondContact O-N 2.84Å; M60-Y65 HydrophobicContact SD-CD1 4.18Å; M60-Y65 HydrophobicContact SD-CE1 4.46Å |
| 61 | R | 87.9 | Confident | 82.3 | Confident | 143 Ų | 143 | 94 Ų | 94 | 54% | 0.54 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -36 | 174 | -81 | -175.4 | -76.7 | -179.5 | -7.8 | 113.2 | L52 W57 I59 I63 G64 | L52-R61 PolarHBondContact O-NH2 2.95Å; L52-R61 VanDerWaalsContact O-NH2 3.12Å; W57-R61 PolarHBondContact O-N 3.03Å; I59-R61 PolarHBondContact O-N 3.44Å; R61-I63 PolarHBondContact O-N 2.68Å; R61-G64 PolarHBondContact O-N 2.94Å; R61-G64 VanDerWaalsContact O-N 3.13Å |
| 62 | K | 90.7 | Very high | 83.7 | Confident | 179 Ų | 179 | 92.5 Ų | 92.5 | 78% | 0.778 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.3 | -27.2 | 177.5 | -88.6 | -174.1 | 172.5 | -172.7 | 0 | 113.6 | K58 I59 M60 G64 | K58-K62 PolarHBondContact O-N 3.3Å; I59-K62 WeakPolarHBondContact O-CB 3.4Å; I59-K62 PolarHBondContact O-N 2.99Å; I59-K62 VanDerWaalsContact O-N 3.09Å; M60-K62 VanDerWaalsContact C-N 3.31Å; M60-K62 PolarHBondContact O-N 2.92Å; K62-G64 VanDerWaalsContact C-N 3.34Å |
| 63 | I | 88.3 | Confident | 84.9 | Confident | 128 Ų | 128 | 96.1 Ų | 96.1 | 66% | 0.656 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 7.8 | 177.1 | 59 | 173.8 | 0 | 0 | 0 | 112.9 | I59 M60 R61 | I59-I63 PolarHBondContact O-N 2.78Å; M60-I63 WeakPolarHBondContact O-CG1 3.11Å; M60-I63 PolarHBondContact O-N 3.27Å; R61-I63 PolarHBondContact O-N 2.68Å |
| 64 | G | 86.9 | Confident | 85.8 | Confident | 64 Ų | 64 | 94.9 Ų | 94.9 | 66% | 0.66 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.1 | 16 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | M60 R61 K62 | M60-G64 PolarHBondContact O-N 2.92Å; R61-G64 PolarHBondContact O-N 2.94Å; R61-G64 VanDerWaalsContact O-N 3.13Å; K62-G64 VanDerWaalsContact C-N 3.34Å |
| 65 | Y | 85.9 | Confident | 86 | Confident | 33 Ų | 33 | 91.4 Ų | 91.4 | 13% | 0.129 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 127.9 | 173.9 | -176.5 | -102.8 | 0 | 0 | 0 | 111.3 | W57 M60 Q69 L71 | W57-Y65 AromaticContact CH2-CE1 3.81Å; W57-Y65 HydrophobicContact CH2-CE1 3.81Å; W57-Y65 AromaticContact CZ3-CD1 3.87Å; W57-Y65 HydrophobicContact CZ3-CD1 3.87Å; W57-Y65 AromaticContact CZ3-CE1 3.51Å; W57-Y65 HydrophobicContact CZ3-CE1 3.51Å; M60-Y65 HydrophobicContact CB-CD1 4.05Å; M60-Y65 HydrophobicContact CB-CG 4.32Å; M60-Y65 VanDerWaalsContact O-CB 3.24Å; M60-Y65 WeakPolarHBondContact O-CB 3.18Å; M60-Y65 PolarHBondContact O-N 2.84Å; M60-Y65 HydrophobicContact SD-CD1 4.18Å; M60-Y65 HydrophobicContact SD-CE1 4.46Å; Y65-Q69 WeakPolarHBondContact CE2-O 3.34Å; Y65-Q69 PolarHBondContact OH-O 3.31Å; Y65-Q69 VanDerWaalsContact OH-O 3.06Å; Y65-L71 HydrophobicContact CD2-CD2 3.82Å; Y65-L71 HydrophobicContact CD2-CG 4.07Å; Y65-L71 HydrophobicContact CE2-CD2 4.33Å; Y65-L71 HydrophobicContact CE2-CG 4.06Å |
| 66 | E | 84.3 | Confident | 85.9 | Confident | 130 Ų | 130 | 92.7 Ų | 92.7 | 61% | 0.607 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -102.4 | 140.2 | 171.9 | -66.3 | -162.7 | 170.1 | 0 | 0 | 111 | G68 Q69 | E66-G68 PolarHBondContact O-N 3.14Å; E66-Q69 HydrophobicContact CB-CB 4.24Å; E66-Q69 WeakPolarHBondContact O-CB 3.43Å; E66-Q69 PolarHBondContact O-N 3.1Å; E66-Q69 VanDerWaalsContact O-N 3.13Å |
| 67 | H | 82.1 | Confident | 85.8 | Confident | 134 Ų | 134 | 94 Ų | 94 | 62% | 0.62 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 129.7 | -178.7 | -173.6 | 80.1 | 0 | 0 | 0 | 110.6 | W57 Q69 | W57-H67 AromaticContact CH2-CE1 3.82Å; W57-H67 AromaticContact CH2-ND1 3.08Å; W57-H67 WeakPolarHBondContact CH2-ND1 3.36Å; W57-H67 AromaticContact CZ2-ND1 3.8Å; W57-H67 HydrophobicContact CZ3-CB 4.22Å; W57-H67 AromaticContact CZ3-ND1 3.46Å; W57-H67 WeakPolarHBondContact CZ3-ND1 3.37Å; H67-Q69 VanDerWaalsContact C-N 3.3Å |
| 68 | G | 83.2 | Confident | 85.7 | Confident | 49 Ų | 49 | 96.8 Ų | 96.8 | 51% | 0.505 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -4.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E66 | E66-G68 PolarHBondContact O-N 3.14Š|
| 69 | Q | 84.4 | Confident | 85.6 | Confident | 96 Ų | 96 | 93.5 Ų | 93.5 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -97.3 | 140.1 | 177 | -165 | 160.5 | -40.9 | 0 | 0 | 110.8 | Y65 E66 H67 A75 | Y65-Q69 WeakPolarHBondContact CE2-O 3.34Å; Y65-Q69 PolarHBondContact OH-O 3.31Å; Y65-Q69 VanDerWaalsContact OH-O 3.06Å; E66-Q69 HydrophobicContact CB-CB 4.24Å; E66-Q69 WeakPolarHBondContact O-CB 3.43Å; E66-Q69 PolarHBondContact O-N 3.1Å; E66-Q69 VanDerWaalsContact O-N 3.13Å; H67-Q69 VanDerWaalsContact C-N 3.3Å; Q69-A75 HydrophobicContact CG-CB 3.36Å |
| 70 | G | 83 | Confident | 85.4 | Confident | 8 Ų | 8 | 95.9 Ų | 95.9 | 8% | 0.082 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 152.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A75 V77 | G70-A75 WeakPolarHBondContact CA-O 3.39Å; G70-A75 VanDerWaalsContact O-CA 3.24Å; G70-A75 WeakPolarHBondContact O-CA 3.28Å; G70-A75 WeakPolarHBondContact O-CB 3.38Å; G70-V77 WeakPolarHBondContact CA-O 3.11Å |
| 71 | L | 85.6 | Confident | 85.2 | Confident | 101 Ų | 101 | 98.9 Ų | 98.9 | 53% | 0.529 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -70 | 157.7 | 170.9 | -77.2 | 156.7 | 0 | 0 | 0 | 111.1 | Y65 V77 | Y65-L71 HydrophobicContact CD2-CD2 3.82Å; Y65-L71 HydrophobicContact CD2-CG 4.07Å; Y65-L71 HydrophobicContact CE2-CD2 4.33Å; Y65-L71 HydrophobicContact CE2-CG 4.06Å; L71-V77 HydrophobicContact CB-CB 4.11Å; L71-V77 HydrophobicContact CB-CG1 4.41Å; L71-V77 HydrophobicContact CB-CG2 4.36Å; L71-V77 VanDerWaalsContact O-CB 3.31Å; L71-V77 WeakPolarHBondContact O-CB 3.46Å; L71-V77 WeakPolarHBondContact O-CG2 3.19Å; L71-V77 PolarHBondContact O-N 3.37Å |
| 72 | G | 84.8 | Confident | 85.2 | Confident | 55 Ų | 55 | 97.5 Ų | 97.5 | 57% | 0.567 | 56% | 0.558 | S | S | * | * | S | Bend | trans | 98.4 | 169.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N74 A75 | G72-N74 VanDerWaalsContact C-N 3.31Å; G72-N74 PolarHBondContact O-N 3.33Å; G72-A75 PolarHBondContact O-N 3.47Å |
| 73 | V | 83.5 | Confident | 85 | Confident | 141 Ų | 141 | 93.6 Ų | 93.6 | 86% | 0.855 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -39.1 | -168 | 175.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 74 | N | 85.6 | Confident | 84.7 | Confident | 114 Ų | 114 | 94.7 Ų | 94.7 | 61% | 0.61 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.3 | 35.7 | 173 | -20 | -85.7 | 0 | 0 | 0 | 113 | G72 H76 | G72-N74 VanDerWaalsContact C-N 3.31Å; G72-N74 PolarHBondContact O-N 3.33Å; N74-H76 VanDerWaalsContact C-N 3.26Å; N74-H76 WeakPolarHBondContact CA-NE2 3.35Å; N74-H76 WeakPolarHBondContact CB-CE1 3.48Å; N74-H76 WeakPolarHBondContact CB-NE2 3.39Å; N74-H76 PolarHBondContact N-NE2 2.93Å; N74-H76 PolarHBondContact ND2-CE1 2.69Å; N74-H76 PolarHBondContact ND2-NE2 2.98Å; N74-H76 PolarHBondContact O-N 3Å; N74-H76 VanDerWaalsContact O-N 3.11Å; N74-H76 PolarHBondContact O-ND1 2.91Å |
| 75 | A | 82.5 | Confident | 84.3 | Confident | 31 Ų | 31 | 97.5 Ų | 97.5 | 26% | 0.256 | 57% | 0.574 | S | S | . | * | S | Bend | trans | 55.6 | 32.1 | 169 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q69 G70 G72 | Q69-A75 HydrophobicContact CG-CB 3.36Å; G70-A75 WeakPolarHBondContact CA-O 3.39Å; G70-A75 VanDerWaalsContact O-CA 3.24Å; G70-A75 WeakPolarHBondContact O-CA 3.28Å; G70-A75 WeakPolarHBondContact O-CB 3.38Å; G72-A75 PolarHBondContact O-N 3.47Å |
| 76 | H | 84.8 | Confident | 83.9 | Confident | 136 Ų | 136 | 105.6 Ų | 105.6 | 63% | 0.63 | 61% | 0.61 | S | S | * | * | trans | -80.6 | -16.7 | -172.8 | -35.2 | -92.4 | 0 | 0 | 0 | 114.3 | N74 | N74-H76 VanDerWaalsContact C-N 3.26Å; N74-H76 WeakPolarHBondContact CA-NE2 3.35Å; N74-H76 WeakPolarHBondContact CB-CE1 3.48Å; N74-H76 WeakPolarHBondContact CB-NE2 3.39Å; N74-H76 PolarHBondContact N-NE2 2.93Å; N74-H76 PolarHBondContact ND2-CE1 2.69Å; N74-H76 PolarHBondContact ND2-NE2 2.98Å; N74-H76 PolarHBondContact O-N 3Å; N74-H76 VanDerWaalsContact O-N 3.11Å; N74-H76 PolarHBondContact O-ND1 2.91Å | ||
| 77 | V | 85.3 | Confident | 83.4 | Confident | 78 Ų | 78 | 104.8 Ų | 104.8 | 47% | 0.473 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -74 | 145.1 | -174.3 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | G70 L71 V79 | G70-V77 WeakPolarHBondContact CA-O 3.11Å; L71-V77 HydrophobicContact CB-CB 4.11Å; L71-V77 HydrophobicContact CB-CG1 4.41Å; L71-V77 HydrophobicContact CB-CG2 4.36Å; L71-V77 VanDerWaalsContact O-CB 3.31Å; L71-V77 WeakPolarHBondContact O-CB 3.46Å; L71-V77 WeakPolarHBondContact O-CG2 3.19Å; L71-V77 PolarHBondContact O-N 3.37Å; V77-V79 PolarHBondContact O-N 2.72Å |
| 78 | V | 83.6 | Confident | 83 | Confident | 105 Ų | 105 | 106.1 Ų | 106.1 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | trans | -55.2 | 129.4 | 179.8 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | E80 | V78-E80 WeakPolarHBondContact CG1-O 3.08Š| ||
| 79 | V | 87.1 | Confident | 82.7 | Confident | 72 Ų | 72 | 104.8 Ų | 104.8 | 44% | 0.436 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -78.5 | -34.1 | -176.9 | -176 | 0 | 0 | 0 | 0 | 111.6 | V77 | V77-V79 PolarHBondContact O-N 2.72Š|
| 80 | E | 85.5 | Confident | 82.1 | Confident | 153 Ų | 153 | 110.4 Ų | 110.4 | 72% | 0.715 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -103.3 | 146.9 | -180 | -64.4 | -164.1 | 166.3 | 0 | 0 | 112.1 | V78 V82 | V78-E80 WeakPolarHBondContact CG1-O 3.08Å; E80-V82 PolarHBondContact O-N 2.98Å |
| 81 | P | 83.2 | Confident | 81.7 | Confident | 127 Ų | 127 | 111.9 Ų | 111.9 | 83% | 0.825 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 134.3 | 174.1 | -20.8 | 31 | 0 | 0 | 0 | 111.3 | A83 | P81-A83 PolarHBondContact O-N 2.71Š|
| 82 | V | 88.8 | Confident | 81.2 | Confident | 114 Ų | 114 | 109.5 Ų | 109.5 | 69% | 0.691 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 121.4 | 175.6 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | E80 L84 | E80-V82 PolarHBondContact O-N 2.98Å; V82-L84 PolarHBondContact O-N 3.24Å |
| 83 | A | 85.8 | Confident | 80.7 | Confident | 97 Ų | 97 | 114.9 Ų | 114.9 | 80% | 0.802 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -66 | 123.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P81 | P81-A83 PolarHBondContact O-N 2.71Š|
| 84 | L | 82.3 | Confident | 80.6 | Confident | 151 Ų | 151 | 111.7 Ų | 111.7 | 79% | 0.791 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 137 | 175.7 | -61.6 | 177.3 | 0 | 0 | 0 | 110.5 | V82 K86 | V82-L84 PolarHBondContact O-N 3.24Å; L84-K86 PolarHBondContact O-N 3.35Å |
| 85 | S | 79.4 | Confident | 79.8 | Confident | 122 Ų | 122 | 109.7 Ų | 109.7 | 85% | 0.853 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -68 | 118.8 | 172.3 | 64.1 | 0 | 0 | 0 | 0 | 109.7 | Q87 | S85-Q87 PolarHBondContact O-N 3.35Š|
| 86 | K | 76.7 | Confident | 79 | Confident | 203 Ų | 203 | 113.9 Ų | 113.9 | 88% | 0.883 | 65% | 0.651 | S | S | * | * | trans | -86.5 | 107.3 | 174.1 | -63 | -172.6 | -179.4 | -175.9 | 0 | 109.1 | L84 | L84-K86 PolarHBondContact O-N 3.35Š| ||
| 87 | Q | 73.2 | Confident | 77.9 | Confident | 114 Ų | 114 | 113.4 Ų | 113.4 | 53% | 0.533 | 65% | 0.647 | S | S | . | * | trans | -73 | 129.3 | 164.5 | -171.6 | 179.6 | -56.9 | 0 | 0 | 107.9 | S85 G89 S91 | S85-Q87 PolarHBondContact O-N 3.35Å; Q87-G89 PolarHBondContact NE2-O 3.01Å; Q87-G89 VanDerWaalsContact NE2-O 3.16Å; Q87-S91 PolarHBondContact NE2-O 2.93Å; Q87-S91 PolarHBondContact OE1-O 3.06Å | ||
| 88 | K | 75.2 | Confident | 76.4 | Confident | 161 Ų | 161 | 113.3 Ų | 113.3 | 70% | 0.7 | 65% | 0.646 | S | S | * | * | trans | -109.8 | 113.7 | 176.6 | 176.3 | 146.8 | -177.4 | 165.3 | 0 | 109.8 | K97 | K88-K97 PolarHBondContact O-NZ 3.35Š| ||
| 89 | G | 75.9 | Confident | 75 | Confident | 22 Ų | 22 | 115.8 Ų | 115.8 | 23% | 0.227 | 66% | 0.662 | C | S | . | * | S | Bend | trans | 72.7 | -165.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q87 S91 | Q87-G89 PolarHBondContact NE2-O 3.01Å; Q87-G89 VanDerWaalsContact NE2-O 3.16Å; G89-S91 PolarHBondContact O-N 3.06Å |
| 90 | R | 73.4 | Confident | 73 | Confident | 214 Ų | 214 | 117.3 Ų | 117.3 | 81% | 0.808 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -79.3 | 32.3 | -178.8 | -58.5 | 178.6 | 65.9 | -179.3 | 2.1 | 114.7 | G92 | R90-G92 PolarHBondContact O-N 3.32Š|
| 91 | S | 72.6 | Confident | 70.9 | Confident | 38 Ų | 38 | 112.5 Ų | 112.5 | 27% | 0.266 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -70.3 | 127.3 | 173.2 | -70.9 | 0 | 0 | 0 | 0 | 110.1 | Q87 G89 | Q87-S91 PolarHBondContact NE2-O 2.93Å; Q87-S91 PolarHBondContact OE1-O 3.06Å; G89-S91 PolarHBondContact O-N 3.06Å |
| 92 | G | 75.5 | Confident | 69 | Low | 52 Ų | 52 | 111.3 Ų | 111.3 | 54% | 0.536 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -56.9 | 150.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R90 G94 S95 | R90-G92 PolarHBondContact O-N 3.32Å; G92-G94 PolarHBondContact O-N 2.9Å; G92-S95 WeakPolarHBondContact O-CB 3.28Å; G92-S95 PolarHBondContact O-N 3.33Å |
| 93 | L | 75.6 | Confident | 66.9 | Low | 168 Ų | 168 | 113.1 Ų | 113.1 | 88% | 0.88 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | 128.9 | 172.8 | -74.8 | 163.5 | 0 | 0 | 0 | 109.8 | ||
| 94 | G | 79.9 | Confident | 64.7 | Low | 73 Ų | 73 | 117.3 Ų | 117.3 | 75% | 0.753 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94 | -7.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G92 V96 | G92-G94 PolarHBondContact O-N 2.9Å; G94-V96 VanDerWaalsContact C-N 3.29Å; G94-V96 PolarHBondContact O-N 3.48Å |
| 95 | S | 69 | Low | 62.8 | Low | 73 Ų | 73 | 117.7 Ų | 117.7 | 51% | 0.51 | 66% | 0.655 | S | S | . | * | trans | -74.4 | 83.4 | 171.6 | -166.4 | 0 | 0 | 0 | 0 | 110.1 | G92 K97 | G92-S95 WeakPolarHBondContact O-CB 3.28Å; G92-S95 PolarHBondContact O-N 3.33Å; S95-K97 PolarHBondContact O-N 3.34Å | ||
| 96 | V | 65.6 | Low | 61.3 | Low | 119 Ų | 119 | 119.1 Ų | 119.1 | 72% | 0.721 | 65% | 0.652 | S | S | * | * | trans | -74.8 | 111.9 | 175.9 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | G94 T98 | G94-V96 VanDerWaalsContact C-N 3.29Å; G94-V96 PolarHBondContact O-N 3.48Å; V96-T98 VanDerWaalsContact C-N 3.26Å; V96-T98 PolarHBondContact O-N 3.4Å | ||
| 97 | K | 62.3 | Low | 59.7 | Low | 126 Ų | 126 | 118.2 Ų | 118.2 | 55% | 0.548 | 65% | 0.65 | S | S | . | * | trans | -67.5 | 90.1 | 168.4 | -63.7 | -173.9 | -173.9 | -176.4 | 0 | 107.6 | K88 S95 T99 | K88-K97 PolarHBondContact O-NZ 3.35Å; S95-K97 PolarHBondContact O-N 3.34Å; K97-T99 PolarHBondContact O-N 3.25Å; K97-T99 VanDerWaalsContact O-N 3.16Å | ||
| 98 | T | 54.4 | Low | 58.5 | Low | 75 Ų | 75 | 115.9 Ų | 115.9 | 46% | 0.46 | 65% | 0.647 | S | S | . | * | trans | -60.8 | 118.5 | 170.4 | 46.8 | 0 | 0 | 0 | 0 | 107.4 | V96 S100 S101 | V96-T98 VanDerWaalsContact C-N 3.26Å; V96-T98 PolarHBondContact O-N 3.4Å; T98-S100 PolarHBondContact O-N 3.47Å; T98-S101 PolarHBondContact O-N 3.42Å; T98-S101 PolarHBondContact O-OG 2.97Å; T98-S101 PolarHBondContact OG1-OG 3.13Å | ||
| 99 | T | 52.7 | Low | 57.1 | Low | 157 Ų | 157 | 117.8 Ų | 117.8 | 96% | 0.963 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -0.2 | 177 | 45.3 | 0 | 0 | 0 | 0 | 113.6 | K97 | K97-T99 PolarHBondContact O-N 3.25Å; K97-T99 VanDerWaalsContact O-N 3.16Å |
| 100 | S | 45.3 | Very low | 56 | Low | 104 Ų | 104 | 122.7 Ų | 122.7 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -2.3 | 172.5 | 56.3 | 0 | 0 | 0 | 0 | 115 | T98 S102 | T98-S100 PolarHBondContact O-N 3.47Å; S100-S102 PolarHBondContact O-N 3.22Å |
| 101 | S | 43.1 | Very low | 55 | Low | 53 Ų | 53 | 114.4 Ų | 114.4 | 37% | 0.371 | 67% | 0.668 | S | S | . | * | trans | -99.6 | 81.2 | 167.2 | 69.8 | 0 | 0 | 0 | 0 | 108.9 | T98 D103 | T98-S101 PolarHBondContact O-N 3.42Å; T98-S101 PolarHBondContact O-OG 2.97Å; T98-S101 PolarHBondContact OG1-OG 3.13Å; S101-D103 PolarHBondContact O-N 3.01Å; S101-D103 VanDerWaalsContact O-N 3.1Å | ||
| 102 | S | 41.9 | Very low | 54 | Low | 101 Ų | 101 | 122 Ų | 122 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | trans | -41.7 | 118.8 | 147.1 | 52.1 | 0 | 0 | 0 | 0 | 107.1 | S100 K104 | S100-S102 PolarHBondContact O-N 3.22Å; S102-K104 VanDerWaalsContact C-N 3.34Å; S102-K104 PolarHBondContact O-N 3.5Å | ||
| 103 | D | 45.2 | Very low | 53.3 | Low | 153 Ų | 153 | 127.2 Ų | 127.2 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | 22.7 | 72.6 | 159.6 | -54.7 | -41.5 | 0 | 0 | 0 | 112.9 | S101 K105 | S101-D103 PolarHBondContact O-N 3.01Å; S101-D103 VanDerWaalsContact O-N 3.1Å; D103-K105 PolarHBondContact O-N 3.36Å | ||
| 104 | K | 40.6 | Very low | 52.5 | Low | 185 Ų | 185 | 129.1 Ų | 129.1 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | trans | -68.5 | 74.8 | 148.9 | -73.5 | -168.6 | -179.1 | -177.4 | 0 | 104.2 | S102 I106 | S102-K104 VanDerWaalsContact C-N 3.34Å; S102-K104 PolarHBondContact O-N 3.5Å; K104-I106 PolarHBondContact O-N 2.76Å | ||
| 105 | K | 42.1 | Very low | 51.8 | Low | 158 Ų | 158 | 133.1 Ų | 133.1 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | trans | -39.6 | 102.9 | 156.2 | -177.3 | -171.9 | -169.8 | -153.4 | 0 | 102.1 | D103 E107 S108 | D103-K105 PolarHBondContact O-N 3.36Å; K105-E107 PolarHBondContact O-N 2.9Å; K105-S108 WeakPolarHBondContact CE-OG 3.36Å; K105-S108 WeakPolarHBondContact CG-OG 3.42Å | ||
| 106 | I | 46.7 | Very low | 51.8 | Low | 153 Ų | 153 | 131 Ų | 131 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | trans | -41 | 116.1 | 165.8 | -67 | 166.3 | 0 | 0 | 0 | 102.7 | K104 S108 | K104-I106 PolarHBondContact O-N 2.76Å; I106-S108 WeakPolarHBondContact O-CA 3.28Å; I106-S108 PolarHBondContact O-N 3.37Å; I106-S108 PolarHBondContact O-OG 2.97Å; I106-S108 VanDerWaalsContact O-OG 3.06Å | ||
| 107 | E | 43.7 | Very low | 52.2 | Low | 183 Ų | 183 | 131 Ų | 131 | 86% | 0.855 | 70% | 0.701 | S | S | * | * | trans | -45.8 | 101 | -173.5 | -160 | 168 | -150.8 | 0 | 0 | 104.9 | K105 F109 | K105-E107 PolarHBondContact O-N 2.9Å; E107-F109 PolarHBondContact O-N 3.08Å | ||
| 108 | S | 48.1 | Very low | 52.4 | Low | 66 Ų | 66 | 128.9 Ų | 128.9 | 46% | 0.462 | 70% | 0.695 | S | S | . | * | trans | -69.3 | 110.4 | -160.9 | -58 | 0 | 0 | 0 | 0 | 102.9 | K105 I106 S110 | K105-S108 WeakPolarHBondContact CE-OG 3.36Å; K105-S108 WeakPolarHBondContact CG-OG 3.42Å; I106-S108 WeakPolarHBondContact O-CA 3.28Å; I106-S108 PolarHBondContact O-N 3.37Å; I106-S108 PolarHBondContact O-OG 2.97Å; I106-S108 VanDerWaalsContact O-OG 3.06Å; S108-S110 WeakPolarHBondContact O-CA 3.46Å; S108-S110 PolarHBondContact O-N 3.14Å | ||
| 109 | F | 46.3 | Very low | 53.1 | Low | 201 Ų | 201 | 135.9 Ų | 135.9 | 88% | 0.882 | 71% | 0.713 | S | S | * | * | trans | -40.2 | 104.8 | -173.7 | -140.8 | -96.8 | 0 | 0 | 0 | 107 | E107 G111 | E107-F109 PolarHBondContact O-N 3.08Å; F109-G111 PolarHBondContact O-N 3.47Å | ||
| 110 | S | 52.2 | Low | 53.8 | Low | 124 Ų | 124 | 132 Ų | 132 | 87% | 0.867 | 69% | 0.687 | S | S | * | * | trans | -84.7 | 6.1 | -170.5 | 70 | 0 | 0 | 0 | 0 | 111.5 | S108 | S108-S110 WeakPolarHBondContact O-CA 3.46Å; S108-S110 PolarHBondContact O-N 3.14Å | ||
| 111 | G | 52.2 | Low | 54.9 | Low | 41 Ų | 41 | 130 Ų | 130 | 42% | 0.423 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -66.1 | 140.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | F109 L113 | F109-G111 PolarHBondContact O-N 3.47Å; G111-L113 PolarHBondContact O-N 2.95Å |
| 112 | E | 52.3 | Low | 56.1 | Low | 197 Ų | 197 | 129.6 Ų | 129.6 | 92% | 0.921 | 66% | 0.662 | S | S | * | * | trans | -49 | 112 | 164.6 | -77.5 | -179.7 | 148.9 | 0 | 0 | 107.4 | Y114 | E112-Y114 PolarHBondContact O-N 3.45Š| ||
| 113 | L | 60.1 | Low | 57.6 | Low | 162 Ų | 162 | 132.7 Ų | 132.7 | 85% | 0.848 | 66% | 0.659 | S | S | * | * | trans | -55 | 115.6 | 172.9 | -121 | 151.8 | 0 | 0 | 0 | 105.5 | G111 Q115 | G111-L113 PolarHBondContact O-N 2.95Å; L113-Q115 VanDerWaalsContact C-N 3.34Å; L113-Q115 PolarHBondContact O-N 2.96Å | ||
| 114 | Y | 59.1 | Low | 58.7 | Low | 207 Ų | 207 | 128 Ų | 128 | 81% | 0.812 | 63% | 0.632 | S | S | * | * | trans | -60.6 | 102.2 | -178.6 | -175.1 | -91.6 | 0 | 0 | 0 | 107.9 | E112 | E112-Y114 PolarHBondContact O-N 3.45Š| ||
| 115 | Q | 65.4 | Low | 60 | Low | 158 Ų | 158 | 124.1 Ų | 124.1 | 74% | 0.738 | 62% | 0.617 | S | S | * | * | trans | -96.9 | 110.7 | 178.7 | -166 | 164.6 | 16.9 | 0 | 0 | 106.6 | L113 S117 | L113-Q115 VanDerWaalsContact C-N 3.34Å; L113-Q115 PolarHBondContact O-N 2.96Å; Q115-S117 PolarHBondContact O-N 2.85Å | ||
| 116 | S | 68.1 | Low | 61.1 | Low | 28 Ų | 28 | 117.5 Ų | 117.5 | 20% | 0.196 | 59% | 0.593 | C | S | . | * | trans | -54 | 130.7 | 178.2 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | N118 L121 | S116-N118 PolarHBondContact O-N 3.34Å; S116-N118 VanDerWaalsContact O-N 3.15Å; S116-N118 PolarHBondContact OG-N 3.04Å; S116-L121 WeakPolarHBondContact OG-CB 3.26Å | ||
| 117 | S | 73.6 | Confident | 61.8 | Low | 120 Ų | 120 | 112.9 Ų | 112.9 | 84% | 0.839 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -62.4 | -19.7 | 174.7 | -6.7 | 0 | 0 | 0 | 0 | 111.7 | Q115 R119 | Q115-S117 PolarHBondContact O-N 2.85Å; S117-R119 PolarHBondContact O-N 2.69Å |
| 118 | N | 68.2 | Low | 62.6 | Low | 80 Ų | 80 | 109.9 Ų | 109.9 | 43% | 0.428 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -82 | 114 | 174.1 | -166.4 | -12.3 | 0 | 0 | 0 | 109.7 | S116 N120 L121 | S116-N118 PolarHBondContact O-N 3.34Å; S116-N118 VanDerWaalsContact O-N 3.15Å; S116-N118 PolarHBondContact OG-N 3.04Å; N118-N120 PolarHBondContact O-N 3.41Å; N118-N120 WeakPolarHBondContact OD1-CB 3.4Å; N118-N120 PolarHBondContact OD1-N 3.29Å; N118-L121 HydrophobicContact CB-CB 4.32Å; N118-L121 HydrophobicContact CB-CD1 3.92Å; N118-L121 HydrophobicContact CB-CG 4.1Å; N118-L121 PolarHBondContact O-N 3.3Å |
| 119 | R | 67.8 | Low | 63.1 | Low | 222 Ų | 222 | 113.5 Ų | 113.5 | 84% | 0.838 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -19.5 | 179.3 | -71.6 | -171.3 | -175.6 | -175 | 1.6 | 113.8 | S117 L121 V122 | S117-R119 PolarHBondContact O-N 2.69Å; R119-L121 VanDerWaalsContact C-N 3.33Å; R119-V122 WeakPolarHBondContact O-CG2 3.31Å |
| 120 | N | 68.3 | Low | 63.5 | Low | 77 Ų | 77 | 108.8 Ų | 108.8 | 41% | 0.412 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.8 | -1.6 | 178.6 | -72.8 | 11.2 | 0 | 0 | 0 | 113.2 | N118 M144 | N118-N120 PolarHBondContact O-N 3.41Å; N118-N120 WeakPolarHBondContact OD1-CB 3.4Å; N118-N120 PolarHBondContact OD1-N 3.29Å; N120-M144 WeakPolarHBondContact CB-O 3.35Å; N120-M144 PolarHBondContact ND2-O 3.38Å; N120-M144 WeakPolarHBondContact O-CA 3.29Å |
| 121 | L | 68.5 | Low | 63.6 | Low | 61 Ų | 61 | 113.7 Ų | 113.7 | 32% | 0.319 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -115.9 | 51.4 | 179.2 | -67.2 | 176.7 | 0 | 0 | 0 | 109.9 | S116 N118 R119 W142 | S116-L121 WeakPolarHBondContact OG-CB 3.26Å; N118-L121 HydrophobicContact CB-CB 4.32Å; N118-L121 HydrophobicContact CB-CD1 3.92Å; N118-L121 HydrophobicContact CB-CG 4.1Å; N118-L121 PolarHBondContact O-N 3.3Å; R119-L121 VanDerWaalsContact C-N 3.33Å; L121-W142 HydrophobicContact CD2-CZ2 3.54Å |
| 122 | V | 68.8 | Low | 63.6 | Low | 45 Ų | 45 | 116.1 Ų | 116.1 | 27% | 0.273 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -121.8 | 142.6 | -177.9 | -172.5 | 0 | 0 | 0 | 0 | 108.4 | R119 H124 | R119-V122 WeakPolarHBondContact O-CG2 3.31Å; V122-H124 PolarHBondContact O-CD2 3.08Å; V122-H124 VanDerWaalsContact O-CD2 3.22Å; V122-H124 PolarHBondContact O-N 3.19Å; V122-H124 PolarHBondContact O-NE2 2.88Å |
| 123 | W | 72.8 | Confident | 63.8 | Low | 166 Ų | 166 | 109.7 Ų | 109.7 | 63% | 0.629 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 122.7 | 170.3 | -70.3 | 90.4 | 0 | 0 | 0 | 109.1 | W140 W142 | W123-W140 HydrophobicContact CB-CE3 4.14Å; W123-W140 HydrophobicContact CE3-CB 4.35Å; W123-W142 HydrophobicContact CD2-CB 4.09Å; W123-W142 HydrophobicContact CE3-CB 3.78Å; W123-W142 HydrophobicContact CH2-CB 3.99Å; W123-W142 HydrophobicContact CZ2-CB 4.29Å; W123-W142 HydrophobicContact CZ3-CB 3.73Å |
| 124 | H | 67.9 | Low | 63.6 | Low | 54 Ų | 54 | 107.3 Ų | 107.3 | 25% | 0.25 | 55% | 0.547 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 146.7 | 175.9 | -62.6 | -68.4 | 0 | 0 | 0 | 109.4 | V122 G126 W140 S141 S143 | V122-H124 PolarHBondContact O-CD2 3.08Å; V122-H124 VanDerWaalsContact O-CD2 3.22Å; V122-H124 PolarHBondContact O-N 3.19Å; V122-H124 PolarHBondContact O-NE2 2.88Å; H124-G126 PolarHBondContact O-N 3.08Å; H124-W140 CarbonylContact O-C 3.32Å; H124-W140 WeakPolarHBondContact O-CA 3.22Å; H124-S141 PolarHBondContact N-O 3.27Å; H124-S141 PolarHBondContact O-N 3.34Å; H124-S141 VanDerWaalsContact O-O 3.12Å; H124-S143 PolarHBondContact CD2-OG 3.05Å |
| 125 | E | 68.9 | Low | 64 | Low | 104 Ų | 104 | 100.8 Ų | 100.8 | 49% | 0.486 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 128 | 167.9 | -168.1 | 168.3 | -161.5 | 0 | 0 | 107.3 | Y138 W140 | E125-Y138 HydrophobicContact CG-CD1 4.45Å; E125-Y138 WeakPolarHBondContact OE1-CD1 3.37Å; E125-Y138 VanDerWaalsContact OE1-CE1 3.25Å; E125-Y138 WeakPolarHBondContact OE1-CE1 3.48Å; E125-W140 HydrophobicContact CB-CZ3 4.44Å |
| 126 | G | 63.9 | Low | 63.9 | Low | 18 Ų | 18 | 96.2 Ų | 96.2 | 19% | 0.186 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 139.3 | -176 | 0 | 0 | 0 | 0 | 0 | 109.8 | H124 D128 T139 | H124-G126 PolarHBondContact O-N 3.08Å; G126-D128 VanDerWaalsContact C-N 3.25Å; G126-D128 PolarHBondContact O-N 3.46Å; G126-T139 WeakPolarHBondContact CA-O 3.19Å; G126-T139 PolarHBondContact N-O 3.05Å |
| 127 | C | 62.5 | Low | 63.7 | Low | 56 Ų | 56 | 97.1 Ų | 97.1 | 38% | 0.378 | 52% | 0.524 | S | S | . | . | trans | -94.1 | 16.4 | -171 | 6 | 0 | 0 | 0 | 0 | 112.4 | D129 C148 | C127-D129 VanDerWaalsContact C-N 3.3Å; C127-D129 PolarHBondContact O-N 2.79Å; C127-C148 HydrophobicContact CB-CB 3.56Å; C127-C148 WeakPolarHBondContact CB-SG 3.45Å; C127-C148 VanDerWaalsContact SG-CA 3.52Å; C127-C148 WeakPolarHBondContact SG-CB 2.91Å; C127-C148 CovalentContact SG-SG 1.98Å; C127-C148 PolarHBondContact SG-SG 3.49Å | ||
| 128 | D | 59.8 | Low | 63.3 | Low | 121 Ų | 121 | 99.6 Ų | 99.6 | 65% | 0.647 | 52% | 0.517 | S | S | * | . | trans | -63.4 | 98.4 | 167.5 | -66.1 | -28.5 | 0 | 0 | 0 | 107.3 | G126 D130 | G126-D128 VanDerWaalsContact C-N 3.25Å; G126-D128 PolarHBondContact O-N 3.46Å; D128-D130 PolarHBondContact O-N 3.01Å | ||
| 129 | D | 58.1 | Low | 63.2 | Low | 141 Ų | 141 | 99.3 Ų | 99.3 | 75% | 0.754 | 52% | 0.518 | S | S | * | . | trans | -73.4 | -0.8 | 174.7 | 53.5 | -25.5 | 0 | 0 | 0 | 112.2 | C127 Y131 | C127-D129 VanDerWaalsContact C-N 3.3Å; C127-D129 PolarHBondContact O-N 2.79Å; D129-Y131 VanDerWaalsContact O-CD2 3.22Å; D129-Y131 WeakPolarHBondContact O-CD2 3.42Å; D129-Y131 PolarHBondContact O-N 3.26Å | ||
| 130 | D | 55.7 | Low | 63.3 | Low | 103 Ų | 103 | 95.8 Ų | 95.8 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | trans | -74.3 | 93.6 | 172.1 | -140.7 | 23.9 | 0 | 0 | 0 | 108.5 | D128 T132 | D128-D130 PolarHBondContact O-N 3.01Å; D130-T132 HydrophobicContact CB-CG2 4.4Å; D130-T132 VanDerWaalsContact CG-CG2 3.43Å; D130-T132 PolarHBondContact O-N 3.27Å; D130-T132 VanDerWaalsContact OD1-CG2 3.28Å; D130-T132 WeakPolarHBondContact OD1-CG2 3.37Å; D130-T132 WeakPolarHBondContact OD2-CG2 3.25Å; D130-T132 PolarHBondContact OD2-OG1 3.46Å | ||
| 131 | Y | 53.5 | Low | 63.3 | Low | 227 Ų | 227 | 93.8 Ų | 93.8 | 89% | 0.89 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 22.6 | 167.5 | -71.9 | -89.8 | 0 | 0 | 0 | 113.2 | D129 | D129-Y131 VanDerWaalsContact O-CD2 3.22Å; D129-Y131 WeakPolarHBondContact O-CD2 3.42Å; D129-Y131 PolarHBondContact O-N 3.26Å |
| 132 | T | 53 | Low | 63.2 | Low | 92 Ų | 92 | 96.7 Ų | 96.7 | 56% | 0.564 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -3.9 | -174.3 | 60.7 | 0 | 0 | 0 | 0 | 113.1 | D130 A134 | D130-T132 HydrophobicContact CB-CG2 4.4Å; D130-T132 VanDerWaalsContact CG-CG2 3.43Å; D130-T132 PolarHBondContact O-N 3.27Å; D130-T132 VanDerWaalsContact OD1-CG2 3.28Å; D130-T132 WeakPolarHBondContact OD1-CG2 3.37Å; D130-T132 WeakPolarHBondContact OD2-CG2 3.25Å; D130-T132 PolarHBondContact OD2-OG1 3.46Å; T132-A134 VanDerWaalsContact C-N 3.27Å; T132-A134 PolarHBondContact O-N 3.48Å |
| 133 | T | 55.4 | Low | 63 | Low | 62 Ų | 62 | 95.1 Ų | 95.1 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | trans | -63.3 | 93.5 | 166.1 | 14.2 | 0 | 0 | 0 | 0 | 109 | D135 G136 D137 | T133-D135 PolarHBondContact O-N 3.13Å; T133-G136 PolarHBondContact O-N 3.09Å; T133-D137 HydrophobicContact CG2-CB 4.26Å | ||
| 134 | A | 57.2 | Low | 62.4 | Low | 111 Ų | 111 | 92.6 Ų | 92.6 | 92% | 0.917 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -9.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T132 | T132-A134 VanDerWaalsContact C-N 3.27Å; T132-A134 PolarHBondContact O-N 3.48Å |
| 135 | D | 67.7 | Low | 62.1 | Low | 70 Ų | 70 | 97.1 Ų | 97.1 | 37% | 0.374 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -0.9 | 180 | 52.8 | -9 | 0 | 0 | 0 | 115.5 | T133 D137 | T133-D135 PolarHBondContact O-N 3.13Å; D135-D137 HydrophobicContact CB-CB 4.22Å; D135-D137 VanDerWaalsContact CG-CB 3.41Å; D135-D137 WeakPolarHBondContact OD1-CB 3.38Å |
| 136 | G | 61.4 | Low | 61.6 | Low | 62 Ų | 62 | 94.9 Ų | 94.9 | 64% | 0.639 | 52% | 0.517 | S | S | * | . | trans | 70.9 | 45.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T133 | T133-G136 PolarHBondContact O-N 3.09Š| ||
| 137 | D | 65.2 | Low | 61.3 | Low | 48 Ų | 48 | 101.8 Ų | 101.8 | 26% | 0.257 | 54% | 0.544 | S | S | . | . | trans | -122.5 | 102.1 | -151.6 | 171.7 | -98.2 | 0 | 0 | 0 | 104.6 | T133 D135 T139 | T133-D137 HydrophobicContact CG2-CB 4.26Å; D135-D137 HydrophobicContact CB-CB 4.22Å; D135-D137 VanDerWaalsContact CG-CB 3.41Å; D135-D137 WeakPolarHBondContact OD1-CB 3.38Å; D137-T139 PolarHBondContact O-N 3.43Å | ||
| 138 | Y | 64.7 | Low | 61 | Low | 172 Ų | 172 | 102 Ų | 102 | 68% | 0.675 | 55% | 0.546 | S | S | * | . | trans | -78.3 | 113.1 | -174.6 | -62.7 | -73.5 | 0 | 0 | 0 | 109.7 | E125 W140 | E125-Y138 HydrophobicContact CG-CD1 4.45Å; E125-Y138 WeakPolarHBondContact OE1-CD1 3.37Å; E125-Y138 VanDerWaalsContact OE1-CE1 3.25Å; E125-Y138 WeakPolarHBondContact OE1-CE1 3.48Å; Y138-W140 VanDerWaalsContact O-CD1 3.29Å | ||
| 139 | T | 66.2 | Low | 60.8 | Low | 74 Ų | 74 | 99.2 Ų | 99.2 | 45% | 0.454 | 53% | 0.534 | S | S | . | . | trans | -69.3 | 138.8 | 168.9 | -45.2 | 0 | 0 | 0 | 0 | 108.5 | G126 D137 | G126-T139 WeakPolarHBondContact CA-O 3.19Å; G126-T139 PolarHBondContact N-O 3.05Å; D137-T139 PolarHBondContact O-N 3.43Å | ||
| 140 | W | 70.1 | Confident | 60.7 | Low | 148 Ų | 148 | 98.9 Ų | 98.9 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 138.1 | 173.3 | -68.6 | 74.3 | 0 | 0 | 0 | 109 | W123 H124 E125 Y138 | W123-W140 HydrophobicContact CB-CE3 4.14Å; W123-W140 HydrophobicContact CE3-CB 4.35Å; H124-W140 CarbonylContact O-C 3.32Å; H124-W140 WeakPolarHBondContact O-CA 3.22Å; E125-W140 HydrophobicContact CB-CZ3 4.44Å; Y138-W140 VanDerWaalsContact O-CD1 3.29Å |
| 141 | S | 68.4 | Low | 60.7 | Low | 34 Ų | 34 | 98.2 Ų | 98.2 | 24% | 0.238 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 147.2 | 177.4 | 57 | 0 | 0 | 0 | 0 | 110.6 | H124 | H124-S141 PolarHBondContact N-O 3.27Å; H124-S141 PolarHBondContact O-N 3.34Å; H124-S141 VanDerWaalsContact O-O 3.12Å |
| 142 | W | 66.3 | Low | 60.7 | Low | 123 Ų | 123 | 90 Ų | 90 | 47% | 0.466 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 130.6 | 171.9 | 176.2 | 92.1 | 0 | 0 | 0 | 108.3 | L121 W123 M144 | L121-W142 HydrophobicContact CD2-CZ2 3.54Å; W123-W142 HydrophobicContact CD2-CB 4.09Å; W123-W142 HydrophobicContact CE3-CB 3.78Å; W123-W142 HydrophobicContact CH2-CB 3.99Å; W123-W142 HydrophobicContact CZ2-CB 4.29Å; W123-W142 HydrophobicContact CZ3-CB 3.73Å; W142-M144 HydrophobicContact CH2-CB 4.48Å; W142-M144 HydrophobicContact CH2-CE 4.25Å |
| 143 | S | 65.4 | Low | 61 | Low | 12 Ų | 12 | 91.9 Ų | 91.9 | 8% | 0.084 | 52% | 0.515 | C | S | . | . | trans | -141.3 | 146.9 | 172.4 | 62.5 | 0 | 0 | 0 | 0 | 109.8 | H124 E145 | H124-S143 PolarHBondContact CD2-OG 3.05Å; S143-E145 VanDerWaalsContact C-N 3.28Å; S143-E145 VanDerWaalsContact CB-O 3.31Å; S143-E145 WeakPolarHBondContact CB-O 3.07Å; S143-E145 PolarHBondContact OG-O 3.07Å | ||
| 144 | M | 59.5 | Low | 61.3 | Low | 113 Ų | 113 | 93 Ų | 93 | 56% | 0.557 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -79.1 | -17.6 | 174.4 | -163.8 | 178.5 | -69.7 | 0 | 0 | 111.9 | N120 W142 | N120-M144 WeakPolarHBondContact CB-O 3.35Å; N120-M144 PolarHBondContact ND2-O 3.38Å; N120-M144 WeakPolarHBondContact O-CA 3.29Å; W142-M144 HydrophobicContact CH2-CB 4.48Å; W142-M144 HydrophobicContact CH2-CE 4.25Å |
| 145 | E | 61.3 | Low | 61.8 | Low | 148 Ų | 148 | 93 Ų | 93 | 69% | 0.692 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -115.1 | 126.1 | 177.8 | -72.5 | 156.4 | -175.5 | 0 | 0 | 106.2 | S143 E147 | S143-E145 VanDerWaalsContact C-N 3.28Å; S143-E145 VanDerWaalsContact CB-O 3.31Å; S143-E145 WeakPolarHBondContact CB-O 3.07Å; S143-E145 PolarHBondContact OG-O 3.07Å; E145-E147 PolarHBondContact O-N 3.11Å |
| 146 | G | 57.3 | Low | 61.6 | Low | 57 Ų | 57 | 93.4 Ų | 93.4 | 59% | 0.588 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -67.7 | 8.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 147 | E | 58.6 | Low | 61.8 | Low | 163 Ų | 163 | 95.5 Ų | 95.5 | 76% | 0.762 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -96.6 | 143 | 170.6 | -69.7 | -177.2 | 176.3 | 0 | 0 | 108.8 | E145 P149 | E145-E147 PolarHBondContact O-N 3.11Å; E147-P149 WeakPolarHBondContact O-CD 3.31Å; E147-P149 VanDerWaalsContact O-N 3.11Å |
| 148 | C | 55.9 | Low | 62 | Low | 61 Ų | 61 | 98.1 Ų | 98.1 | 41% | 0.412 | 53% | 0.528 | S | S | . | . | trans | -53.6 | 122.4 | 174.4 | -161.5 | 0 | 0 | 0 | 0 | 109 | C127 T150 | C127-C148 HydrophobicContact CB-CB 3.56Å; C127-C148 WeakPolarHBondContact CB-SG 3.45Å; C127-C148 VanDerWaalsContact SG-CA 3.52Å; C127-C148 WeakPolarHBondContact SG-CB 2.91Å; C127-C148 CovalentContact SG-SG 1.98Å; C127-C148 PolarHBondContact SG-SG 3.49Å; C148-T150 PolarHBondContact O-N 3.17Å | ||
| 149 | P | 56.8 | Low | 62.2 | Low | 63 Ų | 63 | 96.5 Ų | 96.5 | 41% | 0.409 | 53% | 0.53 | S | S | . | . | trans | -63.9 | 105.2 | -178.6 | 22.7 | -29.7 | 0 | 0 | 0 | 108 | E147 N151 | E147-P149 WeakPolarHBondContact O-CD 3.31Å; E147-P149 VanDerWaalsContact O-N 3.11Å; P149-N151 HydrophobicContact CB-CB 4.49Å; P149-N151 PolarHBondContact O-N 3.45Å | ||
| 150 | T | 55.4 | Low | 62.5 | Low | 133 Ų | 133 | 98.3 Ų | 98.3 | 82% | 0.816 | 54% | 0.536 | S | S | * | . | trans | -76.4 | 12.1 | 170.2 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | C148 S152 | C148-T150 PolarHBondContact O-N 3.17Å; T150-S152 VanDerWaalsContact C-N 3.33Å; T150-S152 PolarHBondContact O-N 3.5Å | ||
| 151 | N | 55.1 | Low | 62.8 | Low | 89 Ų | 89 | 95.4 Ų | 95.4 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | trans | -52.9 | 101 | 176.6 | -63.8 | -5.3 | 0 | 0 | 0 | 107.4 | P149 L153 | P149-N151 HydrophobicContact CB-CB 4.49Å; P149-N151 PolarHBondContact O-N 3.45Å; N151-L153 PolarHBondContact O-N 3.26Å | ||
| 152 | S | 54.8 | Low | 63.2 | Low | 54 Ų | 54 | 96.5 Ų | 96.5 | 38% | 0.378 | 54% | 0.538 | S | S | . | . | trans | -59.8 | 141.3 | 179.4 | 76.9 | 0 | 0 | 0 | 0 | 106.7 | T150 S154 E155 | T150-S152 VanDerWaalsContact C-N 3.33Å; T150-S152 PolarHBondContact O-N 3.5Å; S152-S154 PolarHBondContact O-N 2.99Å; S152-S154 WeakPolarHBondContact OG-CB 3.29Å; S152-S154 PolarHBondContact OG-OG 3.05Å; S152-E155 PolarHBondContact O-N 3.02Å | ||
| 153 | L | 58.3 | Low | 63.8 | Low | 132 Ų | 132 | 95.2 Ų | 95.2 | 69% | 0.691 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -47.2 | -28.5 | 178.5 | -140.9 | 156 | 0 | 0 | 0 | 112 | N151 E155 L156 N157 | N151-L153 PolarHBondContact O-N 3.26Å; L153-E155 PolarHBondContact O-N 3.27Å; L153-L156 PolarHBondContact O-N 3.48Å; L153-N157 VanDerWaalsContact O-CG 3.31Å; L153-N157 PolarHBondContact O-N 3.41Å; L153-N157 VanDerWaalsContact O-N 3.08Å |
| 154 | S | 62.4 | Low | 64.6 | Low | 87 Ų | 87 | 101.3 Ų | 101.3 | 61% | 0.608 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -57.1 | -38.3 | 172.4 | -33.3 | 0 | 0 | 0 | 0 | 115 | S152 | S152-S154 PolarHBondContact O-N 2.99Å; S152-S154 WeakPolarHBondContact OG-CB 3.29Å; S152-S154 PolarHBondContact OG-OG 3.05Å |
| 155 | E | 66.1 | Low | 65.7 | Low | 109 Ų | 109 | 100.6 Ų | 100.6 | 51% | 0.509 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -73.8 | -37.8 | 180 | -68.9 | 178.1 | 174.8 | 0 | 0 | 111.3 | S152 L153 S158 | S152-E155 PolarHBondContact O-N 3.02Å; L153-E155 PolarHBondContact O-N 3.27Å; E155-S158 PolarHBondContact O-N 3.42Å; E155-S158 PolarHBondContact O-OG 3.09Å |
| 156 | L | 64.4 | Low | 66.8 | Low | 79 Ų | 79 | 98.1 Ų | 98.1 | 41% | 0.414 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.2 | -33.5 | 175.5 | -76.1 | 165.9 | 0 | 0 | 0 | 112.6 | L153 S158 L159 I160 | L153-L156 PolarHBondContact O-N 3.48Å; L156-S158 PolarHBondContact O-N 2.9Å; L156-S158 VanDerWaalsContact O-N 3.09Å; L156-L159 PolarHBondContact O-N 2.78Å; L156-I160 HydrophobicContact CB-CD1 4.44Å; L156-I160 PolarHBondContact O-N 3.37Å |
| 157 | N | 66.1 | Low | 67.8 | Low | 107 Ų | 107 | 103 Ų | 103 | 57% | 0.572 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -19.9 | 175.5 | -76.5 | -15.5 | 0 | 0 | 0 | 113.3 | L153 | L153-N157 VanDerWaalsContact O-CG 3.31Å; L153-N157 PolarHBondContact O-N 3.41Å; L153-N157 VanDerWaalsContact O-N 3.08Å |
| 158 | S | 69.7 | Low | 68.9 | Low | 103 Ų | 103 | 97.5 Ų | 97.5 | 72% | 0.72 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -21 | 174.2 | 73.7 | 0 | 0 | 0 | 0 | 113.7 | E155 L156 | E155-S158 PolarHBondContact O-N 3.42Å; E155-S158 PolarHBondContact O-OG 3.09Å; L156-S158 PolarHBondContact O-N 2.9Å; L156-S158 VanDerWaalsContact O-N 3.09Å |
| 159 | L | 68.1 | Low | 70.1 | Confident | 138 Ų | 138 | 100.3 Ų | 100.3 | 72% | 0.723 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -26.4 | -178.8 | -73.1 | 162.5 | 0 | 0 | 0 | 112.4 | L156 | L156-L159 PolarHBondContact O-N 2.78Š|
| 160 | I | 72.3 | Confident | 71.3 | Confident | 112 Ų | 112 | 100.1 Ų | 100.1 | 57% | 0.574 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -99.3 | 111.8 | -177.6 | -57.3 | 175.3 | 0 | 0 | 0 | 108.7 | L156 | L156-I160 HydrophobicContact CB-CD1 4.44Å; L156-I160 PolarHBondContact O-N 3.37Å |
| 161 | I | 76 | Confident | 72.8 | Confident | 87 Ų | 87 | 99.3 Ų | 99.3 | 45% | 0.446 | 58% | 0.575 | S | S | . | * | trans | -68.4 | 132.3 | 171.4 | -56.1 | 172.8 | 0 | 0 | 0 | 107.9 | E165 E167 A168 | I161-E165 HydrophobicContact CG2-CB 3.81Å; I161-E165 HydrophobicContact CG2-CG 4.34Å; I161-E167 HydrophobicContact CD1-CB 4.41Å; I161-E167 HydrophobicContact CG2-CB 4.38Å; I161-A168 HydrophobicContact CG2-CB 3.86Å | ||
| 162 | S | 77.9 | Confident | 74.3 | Confident | 56 Ų | 56 | 100.6 Ų | 100.6 | 39% | 0.392 | 59% | 0.588 | S | S | . | * | trans | -62.5 | 138.3 | 175.8 | 170.9 | 0 | 0 | 0 | 0 | 110 | D164 E165 | S162-D164 PolarHBondContact O-N 3.22Å; S162-E165 WeakPolarHBondContact O-CB 3.5Å; S162-E165 PolarHBondContact O-N 3.35Å | ||
| 163 | P | 79 | Confident | 75.8 | Confident | 97 Ų | 97 | 103.4 Ų | 103.4 | 63% | 0.63 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -19.6 | -174.3 | 25.2 | -35.6 | 0 | 0 | 0 | 113.9 | ||
| 164 | D | 81.6 | Confident | 77.2 | Confident | 139 Ų | 139 | 105.9 Ų | 105.9 | 74% | 0.743 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -8.4 | 179.5 | -60.7 | -41.5 | 0 | 0 | 0 | 113.2 | S162 | S162-D164 PolarHBondContact O-N 3.22Š|
| 165 | E | 83.3 | Confident | 78.4 | Confident | 99 Ų | 99 | 107.8 Ų | 107.8 | 46% | 0.463 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -75 | 142.6 | -179.7 | -67.4 | -70 | 160.6 | 0 | 0 | 110.7 | I161 S162 E167 A168 L169 | I161-E165 HydrophobicContact CG2-CB 3.81Å; I161-E165 HydrophobicContact CG2-CG 4.34Å; S162-E165 WeakPolarHBondContact O-CB 3.5Å; S162-E165 PolarHBondContact O-N 3.35Å; E165-E167 PolarHBondContact O-N 3.25Å; E165-A168 PolarHBondContact O-N 3.35Å; E165-L169 PolarHBondContact O-N 1.98Å |
| 166 | P | 82.8 | Confident | 79.5 | Confident | 96 Ų | 96 | 107.5 Ų | 107.5 | 62% | 0.623 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -23.6 | -176.2 | 26.6 | -35 | 0 | 0 | 0 | 112.9 | A168 L169 | P166-A168 VanDerWaalsContact C-N 3.33Å; P166-L169 PolarHBondContact O-N 3.16Å |
| 167 | E | 79.5 | Confident | 80.6 | Confident | 160 Ų | 160 | 107.3 Ų | 107.3 | 75% | 0.748 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -24.3 | 176.6 | -65.5 | 170.6 | -178.4 | 0 | 0 | 112.8 | I161 E165 | I161-E167 HydrophobicContact CD1-CB 4.41Å; I161-E167 HydrophobicContact CG2-CB 4.38Å; E165-E167 PolarHBondContact O-N 3.25Å |
| 168 | A | 81.2 | Confident | 81.6 | Confident | 46 Ų | 46 | 107.2 Ų | 107.2 | 38% | 0.38 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.4 | -16.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | I161 E165 P166 G170 | I161-A168 HydrophobicContact CG2-CB 3.86Å; E165-A168 PolarHBondContact O-N 3.35Å; P166-A168 VanDerWaalsContact C-N 3.33Å; A168-G170 PolarHBondContact O-N 3.19Å |
| 169 | L | 80.6 | Confident | 82.5 | Confident | 121 Ų | 121 | 106 Ų | 106 | 63% | 0.634 | 59% | 0.588 | S | S | * | * | trans | -89.8 | 84.9 | -178.8 | -62.8 | 178.4 | 0 | 0 | 0 | 110.8 | E165 P166 | E165-L169 PolarHBondContact O-N 1.98Å; P166-L169 PolarHBondContact O-N 3.16Å | ||
| 170 | G | 83.6 | Confident | 83.4 | Confident | 58 Ų | 58 | 102.9 Ų | 102.9 | 60% | 0.598 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 166.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A168 | A168-G170 PolarHBondContact O-N 3.19Š|
| 171 | P | 85.7 | Confident | 84.1 | Confident | 117 Ų | 117 | 103.7 Ų | 103.7 | 76% | 0.76 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 151.8 | 166.1 | 27.9 | -32.9 | 0 | 0 | 0 | 110.5 | I173 | P171-I173 PolarHBondContact O-N 3.4Š|
| 172 | P | 87.4 | Confident | 84.5 | Confident | 115 Ų | 115 | 109.2 Ų | 109.2 | 75% | 0.747 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 133.5 | 177 | -23.7 | 33.2 | 0 | 0 | 0 | 111.9 | E174 | P172-E174 PolarHBondContact O-N 3.41Š|
| 173 | I | 86.6 | Confident | 84.9 | Confident | 114 Ų | 114 | 109.4 Ų | 109.4 | 59% | 0.585 | 60% | 0.598 | S | S | * | * | trans | -84.6 | 111.6 | 173.8 | -57.4 | 172.4 | 0 | 0 | 0 | 107.7 | P171 E175 E179 | P171-I173 PolarHBondContact O-N 3.4Å; I173-E175 WeakPolarHBondContact CG2-O 3.43Å; I173-E179 HydrophobicContact CG2-CG 4.21Å | ||
| 174 | E | 87.4 | Confident | 85.4 | Confident | 184 Ų | 184 | 107.7 Ų | 107.7 | 86% | 0.86 | 59% | 0.589 | S | S | * | * | trans | -94.5 | -25.1 | -179 | -63.2 | -171.8 | 174.5 | 0 | 0 | 113.1 | P172 | P172-E174 PolarHBondContact O-N 3.41Š| ||
| 175 | E | 87.7 | Confident | 85.9 | Confident | 126 Ų | 126 | 103.3 Ų | 103.3 | 59% | 0.589 | 57% | 0.565 | S | S | * | * | trans | -121.2 | 124.5 | -176.5 | -65 | -179.2 | 179.1 | 0 | 0 | 110.1 | I173 | I173-E175 WeakPolarHBondContact CG2-O 3.43Š| ||
| 176 | L | 89 | Confident | 86.2 | Confident | 104 Ų | 104 | 105.2 Ų | 105.2 | 55% | 0.545 | 57% | 0.574 | S | S | . | * | trans | -88.3 | -10.4 | 179 | -156.1 | 77.5 | 0 | 0 | 0 | 112.8 | N178 E179 L192 | L176-N178 PolarHBondContact O-N 2.78Å; L176-N178 VanDerWaalsContact O-N 3.08Å; L176-E179 HydrophobicContact CD1-CB 4.32Å; L176-E179 HydrophobicContact CD1-CG 4.12Å; L176-E179 PolarHBondContact O-N 2.85Å; L176-L192 HydrophobicContact CB-CD1 4.17Å; L176-L192 HydrophobicContact CD2-CD1 4.5Å; L176-L192 HydrophobicContact CD2-CD2 4.05Å | ||
| 177 | D | 86.9 | Confident | 86.6 | Confident | 75 Ų | 75 | 105 Ų | 105 | 40% | 0.401 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.9 | -21.8 | -172.2 | -67.8 | -40.6 | 0 | 0 | 0 | 113.4 | I185 L192 | D177-I185 WeakPolarHBondContact O-CD1 3.44Å; D177-L192 WeakPolarHBondContact OD1-CD1 3.31Å |
| 178 | N | 86.9 | Confident | 87.1 | Confident | 104 Ų | 104 | 98.1 Ų | 98.1 | 56% | 0.556 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 6.4 | -176 | -56.2 | -46.4 | 0 | 0 | 0 | 113.5 | L176 D180 | L176-N178 PolarHBondContact O-N 2.78Å; L176-N178 VanDerWaalsContact O-N 3.08Å; N178-D180 VanDerWaalsContact C-N 3.26Å; N178-D180 PolarHBondContact O-N 2.76Å |
| 179 | E | 88.9 | Confident | 87.5 | Confident | 77 Ų | 77 | 99.9 Ų | 99.9 | 36% | 0.36 | 54% | 0.536 | S | S | . | . | trans | -86.2 | 63.3 | -178.9 | -65.3 | -59.9 | 145.3 | 0 | 0 | 111.4 | I173 L176 | I173-E179 HydrophobicContact CG2-CG 4.21Å; L176-E179 HydrophobicContact CD1-CB 4.32Å; L176-E179 HydrophobicContact CD1-CG 4.12Å; L176-E179 PolarHBondContact O-N 2.85Å | ||
| 180 | D | 88.3 | Confident | 87.9 | Confident | 74 Ų | 74 | 100.5 Ų | 100.5 | 40% | 0.396 | 54% | 0.535 | S | S | . | . | trans | -104.4 | 9.7 | -171.7 | 73 | -24.3 | 0 | 0 | 0 | 114.1 | N178 F182 C183 I185 | N178-D180 VanDerWaalsContact C-N 3.26Å; N178-D180 PolarHBondContact O-N 2.76Å; D180-F182 PolarHBondContact O-N 3Å; D180-F182 VanDerWaalsContact O-N 3.16Å; D180-C183 CarbonylContact C-O 3.56Å; D180-C183 VanDerWaalsContact CA-O 3.26Å; D180-C183 WeakPolarHBondContact CA-O 3.35Å; D180-C183 WeakPolarHBondContact CB-O 3.5Å; D180-C183 PolarHBondContact O-N 2.94Å; D180-I185 HydrophobicContact CB-CB 4Å; D180-I185 HydrophobicContact CB-CD1 3.91Å | ||
| 181 | I | 85.9 | Confident | 88.2 | Confident | 129 Ų | 129 | 101.2 Ų | 101.2 | 66% | 0.662 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -60.5 | -33 | -177.7 | -48.4 | 169.4 | 0 | 0 | 0 | 111.4 | ||
| 182 | F | 85.1 | Confident | 88.4 | Confident | 203 Ų | 203 | 97.5 Ų | 97.5 | 89% | 0.89 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -118 | 4.1 | -178.6 | -56.6 | -73.6 | 0 | 0 | 0 | 113.7 | D180 | D180-F182 PolarHBondContact O-N 3Å; D180-F182 VanDerWaalsContact O-N 3.16Å |
| 183 | C | 84.6 | Confident | 88.5 | Confident | 59 Ų | 59 | 97.6 Ų | 97.6 | 40% | 0.399 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -146 | 145.2 | -177.6 | -165.7 | 0 | 0 | 0 | 0 | 110.2 | D180 I185 V188 | D180-C183 CarbonylContact C-O 3.56Å; D180-C183 VanDerWaalsContact CA-O 3.26Å; D180-C183 WeakPolarHBondContact CA-O 3.35Å; D180-C183 WeakPolarHBondContact CB-O 3.5Å; D180-C183 PolarHBondContact O-N 2.94Å; C183-I185 PolarHBondContact O-N 3.09Å; C183-V188 HydrophobicContact CB-CG2 3.8Å |
| 184 | S | 89.6 | Confident | 88.7 | Confident | 61 Ų | 61 | 101.3 Ų | 101.3 | 43% | 0.427 | 50% | 0.504 | S | S | . | . | trans | -59.3 | 129.2 | 173.5 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | H186 L187 V188 | S184-H186 PolarHBondContact O-N 2.69Å; S184-H186 VanDerWaalsContact O-N 3.09Å; S184-H186 PolarHBondContact OG-N 3.3Å; S184-L187 WeakPolarHBondContact O-CA 3.26Å; S184-L187 WeakPolarHBondContact O-CB 3.43Å; S184-L187 PolarHBondContact O-N 3.29Å; S184-V188 PolarHBondContact O-N 3.15Å | ||
| 185 | I | 92.3 | Very high | 88.5 | Confident | 48 Ų | 48 | 100.2 Ų | 100.2 | 25% | 0.246 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -50.1 | -36.8 | 175.5 | -170.3 | 64.2 | 0 | 0 | 0 | 112.6 | D177 D180 C183 L187 V188 Q189 | D177-I185 WeakPolarHBondContact O-CD1 3.44Å; D180-I185 HydrophobicContact CB-CB 4Å; D180-I185 HydrophobicContact CB-CD1 3.91Å; C183-I185 PolarHBondContact O-N 3.09Å; I185-L187 PolarHBondContact O-N 3.27Å; I185-V188 PolarHBondContact O-N 3.05Å; I185-Q189 WeakPolarHBondContact O-CG 2.84Å; I185-Q189 PolarHBondContact O-N 3.38Å |
| 186 | H | 90.1 | Very high | 88.1 | Confident | 139 Ų | 139 | 100.5 Ų | 100.5 | 64% | 0.644 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.6 | -40.1 | 177.9 | -70.5 | -60.4 | 0 | 0 | 0 | 112.4 | S184 E190 | S184-H186 PolarHBondContact O-N 2.69Å; S184-H186 VanDerWaalsContact O-N 3.09Å; S184-H186 PolarHBondContact OG-N 3.3Å; H186-E190 VanDerWaalsContact O-CB 3.29Å; H186-E190 WeakPolarHBondContact O-CB 2.86Å; H186-E190 PolarHBondContact O-N 3.38Å |
| 187 | L | 91.2 | Very high | 86.2 | Confident | 90 Ų | 90 | 109.1 Ų | 109.1 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.2 | -40.4 | 178 | -89.1 | 159.1 | 0 | 0 | 0 | 111.3 | S184 I185 E190 V191 | S184-L187 WeakPolarHBondContact O-CA 3.26Å; S184-L187 WeakPolarHBondContact O-CB 3.43Å; S184-L187 PolarHBondContact O-N 3.29Å; I185-L187 PolarHBondContact O-N 3.27Å; L187-E190 PolarHBondContact O-N 3.32Å; L187-V191 WeakPolarHBondContact O-CB 3.36Å; L187-V191 VanDerWaalsContact O-CG2 3.31Å; L187-V191 WeakPolarHBondContact O-CG2 3.46Å; L187-V191 PolarHBondContact O-N 3.1Å |
| 188 | V | 88.9 | Confident | 86.2 | Confident | 17 Ų | 17 | 110.8 Ų | 110.8 | 10% | 0.103 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -57.3 | -52.2 | 175.6 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | C183 S184 I185 E190 V191 L192 | C183-V188 HydrophobicContact CB-CG2 3.8Å; S184-V188 PolarHBondContact O-N 3.15Å; I185-V188 PolarHBondContact O-N 3.05Å; V188-E190 PolarHBondContact O-N 3.46Å; V188-V191 PolarHBondContact O-N 3.36Å; V188-L192 HydrophobicContact CG1-CD1 3.74Å; V188-L192 HydrophobicContact CG1-CG 4.45Å; V188-L192 WeakPolarHBondContact O-CB 3.43Å; V188-L192 VanDerWaalsContact O-CG 3.28Å; V188-L192 WeakPolarHBondContact O-CG 3.33Å; V188-L192 PolarHBondContact O-N 3.37Å |
| 189 | Q | 89.9 | Confident | 86.2 | Confident | 83 Ų | 83 | 111.2 Ų | 111.2 | 39% | 0.388 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 179 | -71 | 180 | -11.3 | 0 | 0 | 112.7 | I185 L192 N193 | I185-Q189 WeakPolarHBondContact O-CG 2.84Å; I185-Q189 PolarHBondContact O-N 3.38Å; Q189-L192 PolarHBondContact O-N 3.28Å; Q189-N193 VanDerWaalsContact O-CB 3.26Å; Q189-N193 WeakPolarHBondContact O-CB 3.42Å; Q189-N193 PolarHBondContact O-N 2.76Å; Q189-N193 PolarHBondContact O-ND2 2.65Å |
| 190 | E | 89.9 | Confident | 86 | Confident | 133 Ų | 133 | 113.1 Ų | 113.1 | 62% | 0.621 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.7 | -47.1 | 177.6 | -175.8 | 175.6 | -175.9 | 0 | 0 | 111.5 | H186 L187 V188 N193 Y194 | H186-E190 VanDerWaalsContact O-CB 3.29Å; H186-E190 WeakPolarHBondContact O-CB 2.86Å; H186-E190 PolarHBondContact O-N 3.38Å; L187-E190 PolarHBondContact O-N 3.32Å; V188-E190 PolarHBondContact O-N 3.46Å; E190-N193 PolarHBondContact O-N 2.87Å; E190-Y194 WeakPolarHBondContact O-CB 3.21Å; E190-Y194 PolarHBondContact O-N 2.82Å |
| 191 | V | 90 | Very high | 85.9 | Confident | 74 Ų | 74 | 115.4 Ų | 115.4 | 45% | 0.448 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.9 | -41.4 | 179.7 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | L187 V188 Y194 K195 | L187-V191 WeakPolarHBondContact O-CB 3.36Å; L187-V191 VanDerWaalsContact O-CG2 3.31Å; L187-V191 WeakPolarHBondContact O-CG2 3.46Å; L187-V191 PolarHBondContact O-N 3.1Å; V188-V191 PolarHBondContact O-N 3.36Å; V191-Y194 PolarHBondContact O-N 3.5Å; V191-K195 PolarHBondContact O-N 2.94Å; V191-K195 VanDerWaalsContact O-N 3.1Å |
| 192 | L | 90.2 | Very high | 85.9 | Confident | 38 Ų | 38 | 114.5 Ų | 114.5 | 20% | 0.199 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 177.6 | -72.1 | 174.5 | 0 | 0 | 0 | 111.3 | L176 D177 V188 Q189 Y194 K195 V196 | L176-L192 HydrophobicContact CB-CD1 4.17Å; L176-L192 HydrophobicContact CD2-CD1 4.5Å; L176-L192 HydrophobicContact CD2-CD2 4.05Å; D177-L192 WeakPolarHBondContact OD1-CD1 3.31Å; V188-L192 HydrophobicContact CG1-CD1 3.74Å; V188-L192 HydrophobicContact CG1-CG 4.45Å; V188-L192 WeakPolarHBondContact O-CB 3.43Å; V188-L192 VanDerWaalsContact O-CG 3.28Å; V188-L192 WeakPolarHBondContact O-CG 3.33Å; V188-L192 PolarHBondContact O-N 3.37Å; Q189-L192 PolarHBondContact O-N 3.28Å; L192-Y194 VanDerWaalsContact C-N 3.26Å; L192-Y194 PolarHBondContact O-N 3.25Å; L192-K195 PolarHBondContact O-N 3.03Å; L192-K195 VanDerWaalsContact O-N 3.14Å; L192-V196 WeakPolarHBondContact O-CG2 3.41Å; L192-V196 PolarHBondContact O-N 3.49Å; L192-V196 VanDerWaalsContact O-N 3.13Å |
| 193 | N | 89.5 | Confident | 85.9 | Confident | 117 Ų | 117 | 108.6 Ų | 108.6 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.1 | -35.2 | 175.4 | -76.5 | -42.6 | 0 | 0 | 0 | 112.8 | Q189 E190 | Q189-N193 VanDerWaalsContact O-CB 3.26Å; Q189-N193 WeakPolarHBondContact O-CB 3.42Å; Q189-N193 PolarHBondContact O-N 2.76Å; Q189-N193 PolarHBondContact O-ND2 2.65Å; E190-N193 PolarHBondContact O-N 2.87Å |
| 194 | Y | 89.5 | Confident | 86 | Confident | 192 Ų | 192 | 112.1 Ų | 112.1 | 75% | 0.753 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.9 | -38.5 | 176.4 | -168.5 | -91.2 | 0 | 0 | 0 | 112.2 | E190 V191 L192 | E190-Y194 WeakPolarHBondContact O-CB 3.21Å; E190-Y194 PolarHBondContact O-N 2.82Å; V191-Y194 PolarHBondContact O-N 3.5Å; L192-Y194 VanDerWaalsContact C-N 3.26Å; L192-Y194 PolarHBondContact O-N 3.25Å |
| 195 | K | 84.5 | Confident | 85.7 | Confident | 162 Ų | 162 | 116.1 Ų | 116.1 | 70% | 0.704 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -78 | -22.4 | -178.2 | -78.5 | -174.8 | 176.8 | 179.6 | 0 | 115 | V191 L192 R197 | V191-K195 PolarHBondContact O-N 2.94Å; V191-K195 VanDerWaalsContact O-N 3.1Å; L192-K195 PolarHBondContact O-N 3.03Å; L192-K195 VanDerWaalsContact O-N 3.14Å; K195-R197 VanDerWaalsContact C-N 3.26Å |
| 196 | V | 78 | Confident | 85.2 | Confident | 131 Ų | 131 | 121.8 Ų | 121.8 | 79% | 0.794 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -10.9 | 179.1 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | L192 | L192-V196 WeakPolarHBondContact O-CG2 3.41Å; L192-V196 PolarHBondContact O-N 3.49Å; L192-V196 VanDerWaalsContact O-N 3.13Å |
| 197 | R | 50.6 | Low | 84.8 | Confident | 285 Ų | 285 | 120.2 Ų | 120.2 | 100% | 1.075 | 56% | 0.562 | S | S | * | * | trans | -90.7 | 0 | 170 | -85.9 | -174.5 | 175.6 | 173.5 | 1.3 | 112.5 | K195 | K195-R197 VanDerWaalsContact C-N 3.26Š|
Retrieved 197 of 197 residues in 60.7 ms
(Link to these results)