| 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 | 32.7 | Very low | 32.6 | Very low | 243 Ų | 243 | 153.9 Ų | 153.9 | 100% | 1.197 | 85% | 0.847 | S | S | * | * | 0 | 115.8 | 0 | -83.3 | -178.9 | 177.2 | 0 | 0 | 108 | |||||
| 2 | L | 36.2 | Very low | 32.7 | Very low | 157 Ų | 157 | 149.2 Ų | 149.2 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | trans | 173.5 | 77.8 | 147.3 | -93.5 | 158.8 | 0 | 0 | 0 | 106 | L4 | L2-L4 HydrophobicContact CD2-CD1 3.55Š| ||
| 3 | R | 28 | Very low | 32.6 | Very low | 248 Ų | 248 | 150.7 Ų | 150.7 | 94% | 0.936 | 83% | 0.829 | S | S | * | * | trans | -79.6 | 116.4 | 157.9 | -110 | -179.9 | 173.2 | 171.3 | -2.3 | 105 | ||||
| 4 | L | 40.3 | Very low | 32.7 | Very low | 154 Ų | 154 | 151.4 Ų | 151.4 | 81% | 0.806 | 83% | 0.829 | S | S | * | * | trans | -124.1 | 83.6 | 159 | -91.8 | 117.5 | 0 | 0 | 0 | 107 | L2 | L2-L4 HydrophobicContact CD2-CD1 3.55Š| ||
| 5 | G | 30.4 | Very low | 32.7 | Very low | 81 Ų | 81 | 156.8 Ų | 156.8 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | -79.2 | 132.6 | 153.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 6 | G | 29.5 | Very low | 32.9 | Very low | 69 Ų | 69 | 157.4 Ų | 157.4 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | trans | -163.1 | 67.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109 | T8 | G6-T8 PolarHBondContact O-N 2.95Š| ||
| 7 | Q | 28 | Very low | 33.1 | Very low | 187 Ų | 187 | 156.9 Ų | 156.9 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | -64.6 | 116.8 | 155.2 | -79.5 | -179.4 | -9 | 0 | 0 | 107.1 | ||||
| 8 | T | 34.5 | Very low | 33.4 | Very low | 137 Ų | 137 | 158.4 Ų | 158.4 | 84% | 0.84 | 83% | 0.834 | S | S | * | * | trans | -127.6 | 97.4 | 155.7 | 49.6 | 0 | 0 | 0 | 0 | 107.4 | G6 | G6-T8 PolarHBondContact O-N 2.95Š| ||
| 9 | E | 29.9 | Very low | 33.9 | Very low | 158 Ų | 158 | 159.9 Ų | 159.9 | 74% | 0.738 | 83% | 0.833 | S | S | * | * | trans | -56.4 | 148.4 | 154.4 | -62.3 | 175.2 | 155.1 | 0 | 0 | 109.2 | ||||
| 10 | N | 34.4 | Very low | 34.5 | Very low | 153 Ų | 153 | 156.8 Ų | 156.8 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | 82.9 | 93.5 | 163.9 | -50.7 | -35.2 | 0 | 0 | 0 | 118 | ||||
| 11 | S | 34.8 | Very low | 34.9 | Very low | 106 Ų | 106 | 154.8 Ų | 154.8 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | trans | -150.7 | 91.2 | 136.7 | -177 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 12 | S | 33.2 | Very low | 35.6 | Very low | 97 Ų | 97 | 147.7 Ų | 147.7 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | -60.3 | 143.2 | 148.4 | 48.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 13 | H | 31.3 | Very low | 36.4 | Very low | 169 Ų | 169 | 145 Ų | 145 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | trans | 91.9 | 75.8 | 173.5 | -61.9 | -68.9 | 0 | 0 | 0 | 117.9 | ||||
| 14 | I | 35 | Very low | 37.5 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 82% | 0.821 | 77% | 0.773 | S | S | * | * | trans | -136.1 | 77.5 | 135.9 | -51.8 | 179.3 | 0 | 0 | 0 | 108.1 | ||||
| 15 | R | 32.9 | Very low | 38 | Very low | 233 Ų | 233 | 137.2 Ų | 137.2 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | trans | -74.8 | 147.8 | 144.2 | -83.7 | -179.5 | 158.8 | -168.6 | -5.5 | 106.1 | ||||
| 16 | E | 35.5 | Very low | 39.1 | Very low | 167 Ų | 167 | 136 Ų | 136 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | trans | 85.6 | 89.4 | 176.9 | -53.8 | 179.8 | 178.2 | 0 | 0 | 115.3 | ||||
| 17 | N | 36.4 | Very low | 40.1 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | 172.4 | 71.9 | 124.9 | -87.7 | -43.8 | 0 | 0 | 0 | 111 | |||||
| 18 | L | 38.8 | Very low | 41.2 | Very low | 184 Ų | 184 | 130.9 Ų | 130.9 | 96% | 0.963 | 71% | 0.705 | S | S | * | * | trans | -105.5 | 94.6 | 154.1 | -81.9 | 163.9 | 0 | 0 | 0 | 107.5 | ||||
| 19 | K | 43.1 | Very low | 41.9 | Very low | 187 Ų | 187 | 128.8 Ų | 128.8 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | trans | -39.4 | 137.3 | 175.1 | -74.4 | 165.3 | 170.6 | 174.1 | 0 | 111.9 | E21 | K19-E21 PolarHBondContact O-N 3.44Š| ||
| 20 | A | 46 | Very low | 43 | Very low | 98 Ų | 98 | 131 Ų | 131 | 81% | 0.81 | 68% | 0.683 | S | S | * | * | trans | -25.8 | 103.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T22 | A20-T22 PolarHBondContact O-N 2.93Š| ||
| 21 | E | 41.6 | Very low | 44 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 53% | 0.533 | 68% | 0.683 | S | S | . | * | trans | -61.4 | 118.4 | 171.3 | -77.2 | -176.2 | 167.3 | 0 | 0 | 108.3 | K19 R29 | K19-E21 PolarHBondContact O-N 3.44Å; E21-R29 IonicContact OE1-CZ 3.85Å; E21-R29 IonicContact OE1-NH1 2.92Å; E21-R29 PolarHBondContact OE1-NH1 3.1Å; E21-R29 IonicContact OE2-NH1 3Å; E21-R29 PolarHBondContact OE2-NH1 3.26Å | ||
| 22 | T | 46.9 | Very low | 45.1 | Very low | 94 Ų | 94 | 133.7 Ų | 133.7 | 58% | 0.577 | 68% | 0.679 | S | S | * | * | trans | -60.5 | 143 | 176.8 | 39.2 | 0 | 0 | 0 | 0 | 111.2 | A20 L24 L25 | A20-T22 PolarHBondContact O-N 2.93Å; T22-L24 PolarHBondContact O-N 3.11Å; T22-L25 PolarHBondContact O-N 2.81Å | ||
| 23 | P | 53.7 | Low | 45.8 | Very low | 102 Ų | 102 | 132 Ų | 132 | 66% | 0.662 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -10.3 | -168.5 | 15.9 | -29.5 | 0 | 0 | 0 | 117 | S26 | P23-S26 PolarHBondContact O-OG 2.83Å; P23-S26 VanDerWaalsContact O-OG 3.12Å |
| 24 | L | 51.1 | Low | 47 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 78% | 0.78 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68.9 | -33.9 | 173.3 | -84.2 | 157.5 | 0 | 0 | 0 | 113 | T22 | T22-L24 PolarHBondContact O-N 3.11Å |
| 25 | L | 51.3 | Low | 47.8 | Very low | 88 Ų | 88 | 131.9 Ų | 131.9 | 46% | 0.461 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -72.9 | -32.1 | -179.5 | -85.4 | 159.6 | 0 | 0 | 0 | 112.9 | T22 N27 A28 R29 | T22-L25 PolarHBondContact O-N 2.81Å; L25-N27 VanDerWaalsContact C-N 3.34Å; L25-N27 PolarHBondContact O-N 2.92Å; L25-A28 PolarHBondContact O-N 3.04Å; L25-R29 PolarHBondContact O-N 2.95Å; L25-R29 VanDerWaalsContact O-N 3.16Å |
| 26 | S | 53 | Low | 48.7 | Very low | 57 Ų | 57 | 126.4 Ų | 126.4 | 40% | 0.399 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -68.9 | -32.8 | -179.2 | 71.2 | 0 | 0 | 0 | 0 | 112.6 | P23 R30 | P23-S26 PolarHBondContact O-OG 2.83Å; P23-S26 VanDerWaalsContact O-OG 3.12Å; S26-R30 PolarHBondContact O-N 2.88Å; S26-R30 VanDerWaalsContact O-N 3.1Å |
| 27 | N | 50.7 | Low | 49.7 | Very low | 98 Ų | 98 | 126.3 Ų | 126.3 | 52% | 0.524 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -70.5 | -35.9 | 175.9 | -85 | -27.6 | 0 | 0 | 0 | 112.5 | L25 K31 | L25-N27 VanDerWaalsContact C-N 3.34Å; L25-N27 PolarHBondContact O-N 2.92Å; N27-K31 WeakPolarHBondContact O-CG 3.32Å; N27-K31 PolarHBondContact O-N 3.42Å; N27-K31 VanDerWaalsContact O-N 3.17Å |
| 28 | A | 52 | Low | 50.5 | Low | 49 Ų | 49 | 125.9 Ų | 125.9 | 41% | 0.405 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -66.1 | -44.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L25 R30 K31 L32 | L25-A28 PolarHBondContact O-N 3.04Å; A28-R30 PolarHBondContact O-N 3.38Å; A28-K31 PolarHBondContact O-N 2.71Å; A28-L32 WeakPolarHBondContact O-CG 3.2Å; A28-L32 PolarHBondContact O-N 3.09Å |
| 29 | R | 48.8 | Very low | 51 | Low | 93 Ų | 93 | 122 Ų | 122 | 35% | 0.351 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -62.1 | -41.2 | 177.2 | -79.4 | -172.1 | 160.2 | 146 | 0.7 | 113.1 | E21 L25 K31 L32 G33 L34 | E21-R29 IonicContact OE1-CZ 3.85Å; E21-R29 IonicContact OE1-NH1 2.92Å; E21-R29 PolarHBondContact OE1-NH1 3.1Å; E21-R29 IonicContact OE2-NH1 3Å; E21-R29 PolarHBondContact OE2-NH1 3.26Å; L25-R29 PolarHBondContact O-N 2.95Å; L25-R29 VanDerWaalsContact O-N 3.16Å; R29-K31 VanDerWaalsContact C-N 3.33Å; R29-K31 PolarHBondContact O-N 2.71Å; R29-L32 PolarHBondContact O-N 3.31Å; R29-G33 PolarHBondContact O-N 3.16Å; R29-L34 PolarHBondContact O-N 2.8Å |
| 30 | R | 53 | Low | 51.1 | Low | 206 Ų | 206 | 120.2 Ų | 120.2 | 78% | 0.777 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.8 | -35.7 | 177.7 | -158.9 | -177 | -73.4 | 173.7 | -3.4 | 111.9 | S26 A28 G33 | S26-R30 PolarHBondContact O-N 2.88Å; S26-R30 VanDerWaalsContact O-N 3.1Å; A28-R30 PolarHBondContact O-N 3.38Å; R30-G33 PolarHBondContact O-N 3.38Å |
| 31 | K | 55.6 | Low | 51.1 | Low | 189 Ų | 189 | 123.1 Ų | 123.1 | 82% | 0.822 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69 | -32.3 | 174.1 | -76.8 | -173.5 | 177.6 | -171.4 | 0 | 113.3 | N27 A28 R29 G33 | N27-K31 WeakPolarHBondContact O-CG 3.32Å; N27-K31 PolarHBondContact O-N 3.42Å; N27-K31 VanDerWaalsContact O-N 3.17Å; A28-K31 PolarHBondContact O-N 2.71Å; R29-K31 VanDerWaalsContact C-N 3.33Å; R29-K31 PolarHBondContact O-N 2.71Å; K31-G33 VanDerWaalsContact C-N 3.3Å |
| 32 | L | 57.6 | Low | 51.2 | Low | 125 Ų | 125 | 125.7 Ų | 125.7 | 65% | 0.654 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -0 | 177.9 | -67.1 | 171.6 | 0 | 0 | 0 | 113.7 | A28 R29 L34 | A28-L32 WeakPolarHBondContact O-CG 3.2Å; A28-L32 PolarHBondContact O-N 3.09Å; R29-L32 PolarHBondContact O-N 3.31Å; L32-L34 HydrophobicContact CB-CD1 3.98Å; L32-L34 HydrophobicContact CB-CG 3.99Å; L32-L34 HydrophobicContact CD1-CD1 4.17Å; L32-L34 PolarHBondContact O-N 3.29Å |
| 33 | G | 47.9 | Very low | 51.1 | Low | 61 Ų | 61 | 126.4 Ų | 126.4 | 63% | 0.629 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.6 | 9.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R29 R30 K31 R35 | R29-G33 PolarHBondContact O-N 3.16Å; R30-G33 PolarHBondContact O-N 3.38Å; K31-G33 VanDerWaalsContact C-N 3.3Å; G33-R35 PolarHBondContact O-N 2.93Å |
| 34 | L | 55.5 | Low | 50.6 | Low | 109 Ų | 109 | 129 Ų | 129 | 57% | 0.571 | 65% | 0.646 | S | S | * | * | trans | -74.3 | 95.3 | 179.4 | -65.5 | 171.4 | 0 | 0 | 0 | 108.6 | R29 L32 | R29-L34 PolarHBondContact O-N 2.8Å; L32-L34 HydrophobicContact CB-CD1 3.98Å; L32-L34 HydrophobicContact CB-CG 3.99Å; L32-L34 HydrophobicContact CD1-CD1 4.17Å; L32-L34 PolarHBondContact O-N 3.29Å | ||
| 35 | R | 51.8 | Low | 50.6 | Low | 219 Ų | 219 | 127.6 Ų | 127.6 | 83% | 0.826 | 64% | 0.643 | S | S | * | * | trans | -63.3 | 146.5 | 169.9 | -68.3 | -172.1 | 177.5 | -172.4 | 0.4 | 109.3 | G33 L37 | G33-R35 PolarHBondContact O-N 2.93Å; R35-L37 PolarHBondContact O-N 3.33Å | ||
| 36 | D | 52.9 | Low | 50.4 | Low | 117 Ų | 117 | 130.6 Ų | 130.6 | 63% | 0.626 | 66% | 0.655 | S | S | * | * | trans | -47.8 | 123.3 | -179.9 | -82.6 | -45.7 | 0 | 0 | 0 | 111.2 | N38 I39 | D36-N38 PolarHBondContact O-N 2.6Å; D36-I39 PolarHBondContact O-N 3.15Å; D36-I39 VanDerWaalsContact O-N 3.15Å | ||
| 37 | L | 55.9 | Low | 50.6 | Low | 166 Ų | 166 | 133.2 Ų | 133.2 | 87% | 0.869 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -12.1 | 176.2 | -78.3 | 151.1 | 0 | 0 | 0 | 113.1 | R35 I39 | R35-L37 PolarHBondContact O-N 3.33Å; L37-I39 VanDerWaalsContact C-N 3.3Å; L37-I39 PolarHBondContact O-N 2.86Å |
| 38 | N | 54 | Low | 50.5 | Low | 139 Ų | 139 | 136 Ų | 136 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 4.8 | -180 | -149 | 14.5 | 0 | 0 | 0 | 114 | D36 Q40 | D36-N38 PolarHBondContact O-N 2.6Å; N38-Q40 PolarHBondContact O-N 3.23Å |
| 39 | I | 49.1 | Very low | 50.6 | Low | 102 Ų | 102 | 139.4 Ų | 139.4 | 52% | 0.523 | 69% | 0.69 | S | S | . | * | trans | -78.6 | 67.5 | 162.8 | -46.6 | 173.7 | 0 | 0 | 0 | 107.9 | D36 L37 Q41 | D36-I39 PolarHBondContact O-N 3.15Å; D36-I39 VanDerWaalsContact O-N 3.15Å; L37-I39 VanDerWaalsContact C-N 3.3Å; L37-I39 PolarHBondContact O-N 2.86Å; I39-Q41 HydrophobicContact CG2-CB 4.04Å; I39-Q41 HydrophobicContact CG2-CG 3.9Å; I39-Q41 PolarHBondContact O-N 3.01Å | ||
| 40 | Q | 43.8 | Very low | 50.8 | Low | 149 Ų | 149 | 143.5 Ų | 143.5 | 70% | 0.696 | 71% | 0.711 | S | S | * | * | trans | -71.1 | 62.7 | 157.2 | -73.5 | -178.1 | -0.1 | 0 | 0 | 108.4 | N38 H42 | N38-Q40 PolarHBondContact O-N 3.23Å; Q40-H42 PolarHBondContact O-N 3.19Å | ||
| 41 | Q | 47.5 | Very low | 51 | Low | 160 Ų | 160 | 144.5 Ų | 144.5 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | trans | -80.5 | 74 | 159.4 | -80.8 | -173.2 | -8.6 | 0 | 0 | 107.5 | I39 V43 | I39-Q41 HydrophobicContact CG2-CB 4.04Å; I39-Q41 HydrophobicContact CG2-CG 3.9Å; I39-Q41 PolarHBondContact O-N 3.01Å; Q41-V43 PolarHBondContact O-N 3.45Å | ||
| 42 | H | 42.8 | Very low | 51.2 | Low | 168 Ų | 168 | 139.9 Ų | 139.9 | 78% | 0.778 | 70% | 0.704 | S | S | * | * | trans | -63.9 | 76.1 | 149.5 | -72.3 | -84.9 | 0 | 0 | 0 | 107.1 | Q40 H44 | Q40-H42 PolarHBondContact O-N 3.19Å; H42-H44 VanDerWaalsContact C-N 3.33Å; H42-H44 PolarHBondContact O-N 3.27Å; H42-H44 VanDerWaalsContact O-N 3.11Å | ||
| 43 | V | 45.2 | Very low | 51.5 | Low | 108 Ų | 108 | 138.2 Ų | 138.2 | 66% | 0.655 | 70% | 0.703 | S | S | * | * | trans | -65.9 | 110.9 | 151.7 | -179.7 | 0 | 0 | 0 | 0 | 103.4 | Q41 V45 | Q41-V43 PolarHBondContact O-N 3.45Å; V43-V45 WeakPolarHBondContact O-CG2 3.28Å; V43-V45 PolarHBondContact O-N 2.84Å | ||
| 44 | H | 44 | Very low | 52.3 | Low | 158 Ų | 158 | 145.4 Ų | 145.4 | 73% | 0.731 | 72% | 0.717 | S | S | * | * | trans | -53.3 | 96.3 | 170.4 | -177.8 | 61.7 | 0 | 0 | 0 | 107.1 | H42 Q46 | H42-H44 VanDerWaalsContact C-N 3.33Å; H42-H44 PolarHBondContact O-N 3.27Å; H42-H44 VanDerWaalsContact O-N 3.11Å; H44-Q46 PolarHBondContact O-N 3.29Å | ||
| 45 | V | 51.3 | Low | 53.1 | Low | 118 Ų | 118 | 145.3 Ų | 145.3 | 72% | 0.715 | 72% | 0.721 | S | S | * | * | trans | -65.9 | 102.9 | 174.3 | -178.3 | 0 | 0 | 0 | 0 | 104.2 | V43 P47 | V43-V45 WeakPolarHBondContact O-CG2 3.28Å; V43-V45 PolarHBondContact O-N 2.84Å; V45-P47 WeakPolarHBondContact O-CD 3.43Å; V45-P47 VanDerWaalsContact O-N 3.11Å | ||
| 46 | Q | 46.2 | Very low | 53.8 | Low | 152 Ų | 152 | 142.8 Ų | 142.8 | 71% | 0.71 | 72% | 0.723 | S | S | * | * | trans | -57.6 | 116 | 167 | -76 | -168 | -10.9 | 0 | 0 | 106.5 | H44 E48 | H44-Q46 PolarHBondContact O-N 3.29Å; Q46-E48 PolarHBondContact O-N 3.05Å | ||
| 47 | P | 57.5 | Low | 54.6 | Low | 112 Ų | 112 | 140.3 Ų | 140.3 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -80.1 | 8.3 | -174.3 | 31.5 | -32.1 | 0 | 0 | 0 | 112.8 | V45 I49 | V45-P47 WeakPolarHBondContact O-CD 3.43Å; V45-P47 VanDerWaalsContact O-N 3.11Å; P47-I49 PolarHBondContact O-N 2.86Å | ||
| 48 | E | 47.5 | Very low | 55.7 | Low | 155 Ų | 155 | 135.9 Ų | 135.9 | 72% | 0.724 | 69% | 0.693 | S | S | * | * | trans | -79.1 | 69.7 | 170.2 | -69.3 | -169.1 | -174 | 0 | 0 | 110.2 | Q46 K50 | Q46-E48 PolarHBondContact O-N 3.05Å; E48-K50 PolarHBondContact O-N 3.24Å | ||
| 49 | I | 54.5 | Low | 57 | Low | 121 Ų | 121 | 136.2 Ų | 136.2 | 62% | 0.621 | 69% | 0.69 | S | S | * | * | trans | -62.2 | 93.8 | 151.5 | -58 | 174 | 0 | 0 | 0 | 104.5 | P47 R51 | P47-I49 PolarHBondContact O-N 2.86Å; I49-R51 PolarHBondContact O-N 3.26Å | ||
| 50 | K | 53.9 | Low | 58.5 | Low | 180 Ų | 180 | 134.8 Ų | 134.8 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | trans | -55.4 | 112 | 170.4 | -74.2 | -173.7 | 179.7 | 180 | 0 | 106 | E48 | E48-K50 PolarHBondContact O-N 3.24Š| ||
| 51 | R | 56.6 | Low | 60.2 | Low | 226 Ų | 226 | 131.9 Ų | 131.9 | 85% | 0.853 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 129.1 | 174.3 | -76.5 | -175.4 | 174.2 | 173.6 | -1.8 | 107.4 | I49 S53 | I49-R51 PolarHBondContact O-N 3.26Å; R51-S53 PolarHBondContact O-N 2.96Å |
| 52 | P | 59.4 | Low | 61.2 | Low | 93 Ų | 93 | 128.8 Ų | 128.8 | 60% | 0.604 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 130.5 | 172.9 | 19.6 | -28.6 | 0 | 0 | 0 | 108 | K54 | P52-K54 PolarHBondContact O-N 3.12Š|
| 53 | S | 63.4 | Low | 62.9 | Low | 89 Ų | 89 | 126 Ų | 126 | 62% | 0.622 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 126.2 | 178.9 | 57.3 | 0 | 0 | 0 | 0 | 108.3 | R51 T55 | R51-S53 PolarHBondContact O-N 2.96Å; S53-T55 PolarHBondContact O-N 2.91Å; S53-T55 VanDerWaalsContact O-N 3.08Å |
| 54 | K | 65.6 | Low | 64.5 | Low | 212 Ų | 212 | 126.6 Ų | 126.6 | 92% | 0.922 | 64% | 0.643 | S | S | * | * | trans | -67.5 | -1.9 | 173.4 | -68.1 | -172.9 | 175.8 | -172.7 | 0 | 113.5 | P52 L56 | P52-K54 PolarHBondContact O-N 3.12Å; K54-L56 PolarHBondContact O-N 3.47Å | ||
| 55 | T | 71.8 | Confident | 65.8 | Low | 108 Ų | 108 | 121 Ų | 121 | 66% | 0.663 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -64 | 117.3 | 177.3 | -19 | 0 | 0 | 0 | 0 | 108.5 | S53 V57 | S53-T55 PolarHBondContact O-N 2.91Å; S53-T55 VanDerWaalsContact O-N 3.08Å; T55-V57 PolarHBondContact O-N 3.38Å |
| 56 | L | 66.1 | Low | 66.5 | Low | 165 Ų | 165 | 118.4 Ų | 118.4 | 86% | 0.864 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 123 | 168.5 | -81.7 | 145.1 | 0 | 0 | 0 | 108.3 | K54 P58 | K54-L56 PolarHBondContact O-N 3.47Å; L56-P58 WeakPolarHBondContact O-CD 3.48Å |
| 57 | V | 71 | Confident | 67.7 | Low | 65 Ų | 65 | 118.7 Ų | 118.7 | 39% | 0.394 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -68.4 | 125.2 | 172 | 176 | 0 | 0 | 0 | 0 | 106.9 | T55 I61 Y62 | T55-V57 PolarHBondContact O-N 3.38Å; V57-I61 HydrophobicContact CG1-CB 3.89Å; V57-I61 HydrophobicContact CG1-CD1 4.24Å; V57-I61 HydrophobicContact CG1-CG2 4.13Å; V57-Y62 HydrophobicContact CB-CD2 4.4Å; V57-Y62 HydrophobicContact CB-CE2 3.48Å; V57-Y62 VanDerWaalsContact CB-CE2 3.48Å; V57-Y62 HydrophobicContact CG1-CD2 3.92Å; V57-Y62 HydrophobicContact CG1-CE2 3.44Å; V57-Y62 VanDerWaalsContact CG1-CE2 3.44Å |
| 58 | P | 78.9 | Confident | 68.4 | Low | 74 Ų | 74 | 120.3 Ų | 120.3 | 48% | 0.481 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 139.5 | 176.3 | -23.6 | 32.3 | 0 | 0 | 0 | 111.5 | L56 S60 I61 | L56-P58 WeakPolarHBondContact O-CD 3.48Å; P58-S60 PolarHBondContact O-N 2.81Å; P58-S60 VanDerWaalsContact O-N 3.1Å; P58-I61 HydrophobicContact CB-CG1 4.48Å; P58-I61 HydrophobicContact CG-CD1 4.32Å; P58-I61 PolarHBondContact O-N 2.81Å |
| 59 | E | 80.3 | Confident | 69.3 | Low | 146 Ų | 146 | 119.7 Ų | 119.7 | 68% | 0.682 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -52.7 | -34.8 | 179.9 | -166.8 | 168.9 | -168.6 | 0 | 0 | 112.5 | I61 Y62 E63 | E59-I61 VanDerWaalsContact C-N 3.27Å; E59-I61 PolarHBondContact O-N 2.69Å; E59-Y62 WeakPolarHBondContact O-CA 3.3Å; E59-Y62 WeakPolarHBondContact O-CB 3.45Å; E59-Y62 PolarHBondContact O-N 2.86Å; E59-E63 PolarHBondContact O-N 3.43Å |
| 60 | S | 80.5 | Confident | 69.4 | Low | 72 Ų | 72 | 119 Ų | 119 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.5 | -30.3 | 178.1 | 64 | 0 | 0 | 0 | 0 | 114.5 | P58 Y62 E64 | P58-S60 PolarHBondContact O-N 2.81Å; P58-S60 VanDerWaalsContact O-N 3.1Å; S60-Y62 VanDerWaalsContact C-N 3.32Å; S60-E64 WeakPolarHBondContact O-CB 3.4Å; S60-E64 PolarHBondContact O-N 2.91Å |
| 61 | I | 79.5 | Confident | 69.6 | Low | 87 Ų | 87 | 113.2 Ų | 113.2 | 45% | 0.446 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.2 | -34 | 176.8 | -58.9 | -174.3 | 0 | 0 | 0 | 109.8 | V57 P58 E59 A65 | V57-I61 HydrophobicContact CG1-CB 3.89Å; V57-I61 HydrophobicContact CG1-CD1 4.24Å; V57-I61 HydrophobicContact CG1-CG2 4.13Å; P58-I61 HydrophobicContact CB-CG1 4.48Å; P58-I61 HydrophobicContact CG-CD1 4.32Å; P58-I61 PolarHBondContact O-N 2.81Å; E59-I61 VanDerWaalsContact C-N 3.27Å; E59-I61 PolarHBondContact O-N 2.69Å; I61-A65 WeakPolarHBondContact O-CB 3.29Å; I61-A65 PolarHBondContact O-N 2.8Å |
| 62 | Y | 68.5 | Low | 69.4 | Low | 95 Ų | 95 | 107.6 Ų | 107.6 | 37% | 0.373 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.7 | -43.3 | 174.5 | -68.4 | -75.2 | 0 | 0 | 0 | 111.4 | V57 E59 S60 A65 C66 Y78 | V57-Y62 HydrophobicContact CB-CD2 4.4Å; V57-Y62 HydrophobicContact CB-CE2 3.48Å; V57-Y62 VanDerWaalsContact CB-CE2 3.48Å; V57-Y62 HydrophobicContact CG1-CD2 3.92Å; V57-Y62 HydrophobicContact CG1-CE2 3.44Å; V57-Y62 VanDerWaalsContact CG1-CE2 3.44Å; E59-Y62 WeakPolarHBondContact O-CA 3.3Å; E59-Y62 WeakPolarHBondContact O-CB 3.45Å; E59-Y62 PolarHBondContact O-N 2.86Å; S60-Y62 VanDerWaalsContact C-N 3.32Å; Y62-A65 PolarHBondContact O-N 3.39Å; Y62-C66 WeakPolarHBondContact O-CB 3.48Å; Y62-C66 PolarHBondContact O-N 3.15Å; Y62-C66 PolarHBondContact O-SG 2.92Å; Y62-Y78 HydrophobicContact CD1-CE2 4.24Å; Y62-Y78 AromaticContact CD1-CZ 3.88Å; Y62-Y78 WeakPolarHBondContact CD1-OH 3.42Å; Y62-Y78 HydrophobicContact CE1-CE2 4.38Å; Y62-Y78 AromaticContact CE1-CZ 3.91Å; Y62-Y78 WeakPolarHBondContact CE1-OH 3.17Å |
| 63 | E | 78.6 | Confident | 69.2 | Low | 111 Ų | 111 | 112.9 Ų | 112.9 | 52% | 0.519 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -58.1 | -48.2 | 174.3 | -67.4 | -179.9 | 161 | 0 | 0 | 111 | E59 A65 C66 E67 | E59-E63 PolarHBondContact O-N 3.43Å; E63-A65 VanDerWaalsContact C-N 3.34Å; E63-A65 PolarHBondContact O-N 3.14Å; E63-C66 PolarHBondContact O-N 3.49Å; E63-E67 WeakPolarHBondContact O-CG 3.43Å; E63-E67 PolarHBondContact O-N 3.21Å |
| 64 | E | 79.6 | Confident | 69 | Low | 120 Ų | 120 | 112.1 Ų | 112.1 | 56% | 0.561 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.9 | -42.1 | 176.2 | -172.6 | -171.7 | 162.8 | 0 | 0 | 112 | S60 E67 K68 | S60-E64 WeakPolarHBondContact O-CB 3.4Å; S60-E64 PolarHBondContact O-N 2.91Å; E64-E67 PolarHBondContact O-N 3.2Å; E64-K68 WeakPolarHBondContact O-CB 3.27Å; E64-K68 PolarHBondContact O-N 3.49Å |
| 65 | A | 70.8 | Confident | 68.8 | Low | 41 Ų | 41 | 112.4 Ų | 112.4 | 34% | 0.339 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.2 | -38.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | I61 Y62 E63 K68 F69 | I61-A65 WeakPolarHBondContact O-CB 3.29Å; I61-A65 PolarHBondContact O-N 2.8Å; Y62-A65 PolarHBondContact O-N 3.39Å; E63-A65 VanDerWaalsContact C-N 3.34Å; E63-A65 PolarHBondContact O-N 3.14Å; A65-K68 PolarHBondContact O-N 2.69Å; A65-F69 HydrophobicContact CB-CD2 4.47Å; A65-F69 WeakPolarHBondContact O-CB 3.44Å; A65-F69 WeakPolarHBondContact O-CD2 3.37Å; A65-F69 PolarHBondContact O-N 2.97Å |
| 66 | C | 65.6 | Low | 68.7 | Low | 62 Ų | 62 | 113.1 Ų | 113.1 | 42% | 0.419 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.8 | -44.8 | 176.3 | -67.5 | 0 | 0 | 0 | 0 | 111.1 | Y62 E63 K68 C70 | Y62-C66 WeakPolarHBondContact O-CB 3.48Å; Y62-C66 PolarHBondContact O-N 3.15Å; Y62-C66 PolarHBondContact O-SG 2.92Å; E63-C66 PolarHBondContact O-N 3.49Å; C66-K68 VanDerWaalsContact C-N 3.34Å; C66-K68 PolarHBondContact O-N 3.48Å; C66-C70 WeakPolarHBondContact O-CA 3.48Å; C66-C70 PolarHBondContact O-N 2.81Å |
| 67 | E | 72.1 | Confident | 68.7 | Low | 159 Ų | 159 | 109.7 Ų | 109.7 | 74% | 0.743 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.7 | -41.2 | 174.7 | -74 | -174.7 | 174.8 | 0 | 0 | 112.1 | E63 E64 | E63-E67 WeakPolarHBondContact O-CG 3.43Å; E63-E67 PolarHBondContact O-N 3.21Å; E64-E67 PolarHBondContact O-N 3.2Å |
| 68 | K | 72.9 | Confident | 68.4 | Low | 145 Ų | 145 | 110.1 Ų | 110.1 | 63% | 0.63 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -78.3 | -36.5 | -175.1 | -173.5 | 173.6 | -177.2 | 175.4 | 0 | 113.5 | E64 A65 C66 | E64-K68 WeakPolarHBondContact O-CB 3.27Å; E64-K68 PolarHBondContact O-N 3.49Å; A65-K68 PolarHBondContact O-N 2.69Å; C66-K68 VanDerWaalsContact C-N 3.34Å; C66-K68 PolarHBondContact O-N 3.48Å |
| 69 | F | 65 | Low | 68.1 | Low | 143 Ų | 143 | 108.2 Ų | 108.2 | 63% | 0.627 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -105.7 | -5 | -172.2 | -67.8 | -76.7 | 0 | 0 | 0 | 114.1 | A65 A71 | A65-F69 HydrophobicContact CB-CD2 4.47Å; A65-F69 WeakPolarHBondContact O-CB 3.44Å; A65-F69 WeakPolarHBondContact O-CD2 3.37Å; A65-F69 PolarHBondContact O-N 2.97Å; F69-A71 HydrophobicContact CB-CB 4.34Å; F69-A71 WeakPolarHBondContact O-CA 3.33Å; F69-A71 WeakPolarHBondContact O-CB 3.36Å; F69-A71 PolarHBondContact O-N 2.87Å |
| 70 | C | 58.3 | Low | 67.9 | Low | 105 Ų | 105 | 105.5 Ų | 105.5 | 71% | 0.709 | 54% | 0.535 | S | S | * | . | trans | 40 | 28.7 | 177.9 | -66.5 | 0 | 0 | 0 | 0 | 113.8 | C66 | C66-C70 WeakPolarHBondContact O-CA 3.48Å; C66-C70 PolarHBondContact O-N 2.81Å | ||
| 71 | A | 57.3 | Low | 67.7 | Low | 60 Ų | 60 | 104.6 Ų | 104.6 | 50% | 0.496 | 52% | 0.524 | S | S | . | . | trans | -89.7 | -14.7 | -160 | 0 | 0 | 0 | 0 | 0 | 112.4 | F69 | F69-A71 HydrophobicContact CB-CB 4.34Å; F69-A71 WeakPolarHBondContact O-CA 3.33Å; F69-A71 WeakPolarHBondContact O-CB 3.36Å; F69-A71 PolarHBondContact O-N 2.87Å | ||
| 72 | Y | 51.5 | Low | 67.4 | Low | 108 Ų | 108 | 102.3 Ų | 102.3 | 42% | 0.424 | 52% | 0.515 | S | S | . | . | trans | -130.4 | 97.5 | -179.2 | -55 | -72.3 | 0 | 0 | 0 | 107.6 | D77 L81 | Y72-D77 HydrophobicContact CD1-CB 4.03Å; Y72-L81 HydrophobicContact CE1-CD2 4.43Å; Y72-L81 VanDerWaalsContact OH-CD2 3.3Å; Y72-L81 WeakPolarHBondContact OH-CD2 3.26Å | ||
| 73 | E | 55.5 | Low | 67.7 | Low | 203 Ų | 203 | 101.5 Ų | 101.5 | 95% | 0.949 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -67 | -24.5 | 169.4 | -70 | -173.7 | 165.4 | 0 | 0 | 110.7 | ||
| 74 | D | 60.8 | Low | 67.5 | Low | 74 Ų | 74 | 103.3 Ų | 103.3 | 40% | 0.396 | 52% | 0.522 | S | S | . | . | trans | -114.3 | 132 | -179.4 | -155 | -26.1 | 0 | 0 | 0 | 111.9 | D76 D77 | D74-D76 PolarHBondContact O-N 3.41Å; D74-D76 PolarHBondContact OD1-N 2.83Å; D74-D77 PolarHBondContact O-N 2.88Å | ||
| 75 | R | 61.1 | Low | 67.4 | Low | 217 Ų | 217 | 101.7 Ų | 101.7 | 82% | 0.819 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.3 | -25.3 | 173.3 | -76.5 | -167.1 | 168.6 | -144.5 | -4.2 | 111.5 | D77 Y78 G79 | R75-D77 VanDerWaalsContact C-N 3.35Å; R75-Y78 PolarHBondContact O-N 2.93Å; R75-G79 PolarHBondContact O-N 2.89Å |
| 76 | D | 68.9 | Low | 67.7 | Low | 124 Ų | 124 | 104.4 Ų | 104.4 | 66% | 0.663 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.2 | -37 | -180 | -69.8 | -14.2 | 0 | 0 | 0 | 111.4 | D74 Y78 G79 D80 | D74-D76 PolarHBondContact O-N 3.41Å; D74-D76 PolarHBondContact OD1-N 2.83Å; D76-Y78 VanDerWaalsContact C-N 3.27Å; D76-Y78 PolarHBondContact O-N 3.29Å; D76-G79 PolarHBondContact O-N 3.18Å; D76-G79 VanDerWaalsContact O-N 3.16Å; D76-D80 PolarHBondContact O-N 3.28Å; D76-D80 VanDerWaalsContact O-N 3.12Å |
| 77 | D | 67 | Low | 68.1 | Low | 93 Ų | 93 | 106.3 Ų | 106.3 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62 | -35.7 | 176.1 | -71.7 | -24.7 | 0 | 0 | 0 | 112 | Y72 D74 R75 D80 L81 | Y72-D77 HydrophobicContact CD1-CB 4.03Å; D74-D77 PolarHBondContact O-N 2.88Å; R75-D77 VanDerWaalsContact C-N 3.35Å; D77-D80 PolarHBondContact O-N 2.89Å; D77-L81 PolarHBondContact O-N 2.75Å |
| 78 | Y | 64.8 | Low | 68.4 | Low | 73 Ų | 73 | 103.3 Ų | 103.3 | 29% | 0.286 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70 | -38.3 | 177 | -176.4 | -99.2 | 0 | 0 | 0 | 111.8 | Y62 R75 D76 D80 L81 C82 | Y62-Y78 HydrophobicContact CD1-CE2 4.24Å; Y62-Y78 AromaticContact CD1-CZ 3.88Å; Y62-Y78 WeakPolarHBondContact CD1-OH 3.42Å; Y62-Y78 HydrophobicContact CE1-CE2 4.38Å; Y62-Y78 AromaticContact CE1-CZ 3.91Å; Y62-Y78 WeakPolarHBondContact CE1-OH 3.17Å; R75-Y78 PolarHBondContact O-N 2.93Å; D76-Y78 VanDerWaalsContact C-N 3.27Å; D76-Y78 PolarHBondContact O-N 3.29Å; Y78-D80 PolarHBondContact O-N 2.9Å; Y78-L81 PolarHBondContact O-N 3.27Å; Y78-C82 WeakPolarHBondContact CE1-SG 3.34Å; Y78-C82 PolarHBondContact O-N 3.32Å; Y78-C82 PolarHBondContact OH-SG 3.23Å |
| 79 | G | 72.5 | Confident | 68.4 | Low | 34 Ų | 34 | 99.6 Ų | 99.6 | 35% | 0.351 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R75 D76 T83 | R75-G79 PolarHBondContact O-N 2.89Å; D76-G79 PolarHBondContact O-N 3.18Å; D76-G79 VanDerWaalsContact O-N 3.16Å; G79-T83 PolarHBondContact O-N 2.87Å; G79-T83 VanDerWaalsContact O-N 3.11Å; G79-T83 PolarHBondContact O-OG1 3.24Å |
| 80 | D | 76 | Confident | 69 | Low | 89 Ų | 89 | 96.4 Ų | 96.4 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 174.4 | -174.3 | 52.5 | 0 | 0 | 0 | 111.4 | D76 D77 Y78 C82 T83 R84 | D76-D80 PolarHBondContact O-N 3.28Å; D76-D80 VanDerWaalsContact O-N 3.12Å; D77-D80 PolarHBondContact O-N 2.89Å; Y78-D80 PolarHBondContact O-N 2.9Å; D80-C82 PolarHBondContact O-N 3.19Å; D80-T83 PolarHBondContact O-N 3.44Å; D80-R84 WeakPolarHBondContact O-CB 3.49Å; D80-R84 VanDerWaalsContact O-CG 3.27Å; D80-R84 WeakPolarHBondContact O-CG 3.44Å; D80-R84 PolarHBondContact O-N 3.06Å; D80-R84 WeakPolarHBondContact OD2-CD 3.23Å |
| 81 | L | 74.8 | Confident | 69.8 | Low | 54 Ų | 54 | 97.1 Ų | 97.1 | 28% | 0.283 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 177.9 | -176.6 | 65.7 | 0 | 0 | 0 | 112.6 | Y72 D77 Y78 T83 R84 L85 | Y72-L81 HydrophobicContact CE1-CD2 4.43Å; Y72-L81 VanDerWaalsContact OH-CD2 3.3Å; Y72-L81 WeakPolarHBondContact OH-CD2 3.26Å; D77-L81 PolarHBondContact O-N 2.75Å; Y78-L81 PolarHBondContact O-N 3.27Å; L81-T83 VanDerWaalsContact C-N 3.35Å; L81-T83 PolarHBondContact O-N 3.25Å; L81-R84 PolarHBondContact O-N 3.44Å; L81-L85 HydrophobicContact CG-CD1 4.28Å; L81-L85 WeakPolarHBondContact O-CG 3.32Å; L81-L85 PolarHBondContact O-N 3.35Å |
| 82 | C | 74.4 | Confident | 70.6 | Confident | 39 Ų | 39 | 97.1 Ų | 97.1 | 26% | 0.264 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 175.9 | -77.9 | 0 | 0 | 0 | 0 | 111.5 | Y78 D80 R84 L85 D86 | Y78-C82 WeakPolarHBondContact CE1-SG 3.34Å; Y78-C82 PolarHBondContact O-N 3.32Å; Y78-C82 PolarHBondContact OH-SG 3.23Å; D80-C82 PolarHBondContact O-N 3.19Å; C82-R84 VanDerWaalsContact C-N 3.3Å; C82-R84 PolarHBondContact O-N 3.04Å; C82-L85 PolarHBondContact O-N 3.32Å; C82-L85 VanDerWaalsContact O-N 3.16Å; C82-D86 PolarHBondContact O-N 3.06Å |
| 83 | T | 73.9 | Confident | 71.5 | Confident | 78 Ų | 78 | 96.8 Ų | 96.8 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 177.9 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | G79 D80 L81 D86 N87 | G79-T83 PolarHBondContact O-N 2.87Å; G79-T83 VanDerWaalsContact O-N 3.11Å; G79-T83 PolarHBondContact O-OG1 3.24Å; D80-T83 PolarHBondContact O-N 3.44Å; L81-T83 VanDerWaalsContact C-N 3.35Å; L81-T83 PolarHBondContact O-N 3.25Å; T83-D86 PolarHBondContact O-N 2.83Å; T83-N87 VanDerWaalsContact O-CG 3.28Å; T83-N87 PolarHBondContact O-N 3.23Å; T83-N87 PolarHBondContact O-ND2 3.25Å |
| 84 | R | 75.7 | Confident | 71.8 | Confident | 148 Ų | 148 | 88.8 Ų | 88.8 | 56% | 0.558 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.3 | -39.9 | 176 | -71.2 | 173.9 | 69.7 | -175.9 | 2.1 | 112.2 | D80 L81 C82 N87 I88 | D80-R84 WeakPolarHBondContact O-CB 3.49Å; D80-R84 VanDerWaalsContact O-CG 3.27Å; D80-R84 WeakPolarHBondContact O-CG 3.44Å; D80-R84 PolarHBondContact O-N 3.06Å; D80-R84 WeakPolarHBondContact OD2-CD 3.23Å; L81-R84 PolarHBondContact O-N 3.44Å; C82-R84 VanDerWaalsContact C-N 3.3Å; C82-R84 PolarHBondContact O-N 3.04Å; R84-N87 PolarHBondContact O-N 3.43Å; R84-I88 VanDerWaalsContact O-CG1 3.28Å; R84-I88 WeakPolarHBondContact O-CG1 3.5Å; R84-I88 PolarHBondContact O-N 3.33Å |
| 85 | L | 76.9 | Confident | 71.9 | Confident | 86 Ų | 86 | 89 Ų | 89 | 45% | 0.45 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 175.4 | -73 | 171.9 | 0 | 0 | 0 | 111.8 | L81 C82 I88 N89 | L81-L85 HydrophobicContact CG-CD1 4.28Å; L81-L85 WeakPolarHBondContact O-CG 3.32Å; L81-L85 PolarHBondContact O-N 3.35Å; C82-L85 PolarHBondContact O-N 3.32Å; C82-L85 VanDerWaalsContact O-N 3.16Å; L85-I88 PolarHBondContact O-N 3.1Å; L85-N89 WeakPolarHBondContact O-CB 3.47Å; L85-N89 VanDerWaalsContact O-CG 3.28Å; L85-N89 PolarHBondContact O-N 3.45Å; L85-N89 PolarHBondContact O-ND2 3.16Å |
| 86 | D | 75.6 | Confident | 71.6 | Confident | 98 Ų | 98 | 81.9 Ų | 81.9 | 52% | 0.524 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 175.3 | -74.8 | -19.9 | 0 | 0 | 0 | 112.3 | C82 T83 N89 S90 | C82-D86 PolarHBondContact O-N 3.06Å; T83-D86 PolarHBondContact O-N 2.83Å; D86-N89 PolarHBondContact O-N 3.21Å; D86-S90 WeakPolarHBondContact O-CB 3.27Å; D86-S90 PolarHBondContact O-N 3Å; D86-S90 PolarHBondContact O-OG 3.18Å |
| 87 | N | 75 | Confident | 71 | Confident | 103 Ų | 103 | 79.6 Ų | 79.6 | 55% | 0.551 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64 | -41.8 | 173.7 | -72.2 | -28.6 | 0 | 0 | 0 | 111.9 | T83 R84 S90 L91 | T83-N87 VanDerWaalsContact O-CG 3.28Å; T83-N87 PolarHBondContact O-N 3.23Å; T83-N87 PolarHBondContact O-ND2 3.25Å; R84-N87 PolarHBondContact O-N 3.43Å; N87-S90 PolarHBondContact O-N 3.05Å; N87-L91 PolarHBondContact O-N 3.15Å |
| 88 | I | 77.5 | Confident | 70.4 | Confident | 96 Ų | 96 | 80.9 Ų | 80.9 | 49% | 0.492 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 175.5 | -69.1 | 165 | 0 | 0 | 0 | 110.4 | R84 L85 S90 L91 V92 | R84-I88 VanDerWaalsContact O-CG1 3.28Å; R84-I88 WeakPolarHBondContact O-CG1 3.5Å; R84-I88 PolarHBondContact O-N 3.33Å; L85-I88 PolarHBondContact O-N 3.1Å; I88-S90 VanDerWaalsContact C-N 3.31Å; I88-S90 PolarHBondContact O-N 2.92Å; I88-L91 WeakPolarHBondContact O-CB 3.49Å; I88-L91 PolarHBondContact O-N 2.93Å; I88-V92 HydrophobicContact CG2-CG2 4.38Å; I88-V92 WeakPolarHBondContact O-CG2 3.39Å; I88-V92 PolarHBondContact O-N 3.24Å |
| 89 | N | 74.3 | Confident | 69.9 | Low | 66 Ų | 66 | 81.5 Ų | 81.5 | 35% | 0.353 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 177.4 | -73.5 | -31.2 | 0 | 0 | 0 | 111.4 | L85 D86 L91 V92 D93 | L85-N89 WeakPolarHBondContact O-CB 3.47Å; L85-N89 VanDerWaalsContact O-CG 3.28Å; L85-N89 PolarHBondContact O-N 3.45Å; L85-N89 PolarHBondContact O-ND2 3.16Å; D86-N89 PolarHBondContact O-N 3.21Å; N89-L91 PolarHBondContact O-N 2.93Å; N89-V92 PolarHBondContact O-N 3.43Å; N89-D93 WeakPolarHBondContact O-CB 3.45Å; N89-D93 PolarHBondContact O-N 2.86Å |
| 90 | S | 76.4 | Confident | 68.7 | Low | 77 Ų | 77 | 84.5 Ų | 84.5 | 54% | 0.538 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 175.8 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | D86 N87 I88 D93 G94 | D86-S90 WeakPolarHBondContact O-CB 3.27Å; D86-S90 PolarHBondContact O-N 3Å; D86-S90 PolarHBondContact O-OG 3.18Å; N87-S90 PolarHBondContact O-N 3.05Å; I88-S90 VanDerWaalsContact C-N 3.31Å; I88-S90 PolarHBondContact O-N 2.92Å; S90-D93 PolarHBondContact O-N 3.02Å; S90-G94 PolarHBondContact O-N 3Å |
| 91 | L | 75.4 | Confident | 67.3 | Low | 119 Ų | 119 | 86.5 Ų | 86.5 | 62% | 0.623 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.9 | -44.7 | 174.4 | -177 | 67.1 | 0 | 0 | 0 | 111.1 | N87 I88 N89 G94 V95 | N87-L91 PolarHBondContact O-N 3.15Å; I88-L91 WeakPolarHBondContact O-CB 3.49Å; I88-L91 PolarHBondContact O-N 2.93Å; N89-L91 PolarHBondContact O-N 2.93Å; L91-G94 PolarHBondContact O-N 2.9Å; L91-V95 WeakPolarHBondContact O-CG2 3.28Å; L91-V95 PolarHBondContact O-N 3.4Å |
| 92 | V | 74.2 | Confident | 65.9 | Low | 61 Ų | 61 | 89 Ų | 89 | 37% | 0.37 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 177 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | I88 N89 G94 V95 L96 | I88-V92 HydrophobicContact CG2-CG2 4.38Å; I88-V92 WeakPolarHBondContact O-CG2 3.39Å; I88-V92 PolarHBondContact O-N 3.24Å; N89-V92 PolarHBondContact O-N 3.43Å; V92-G94 VanDerWaalsContact C-N 3.3Å; V92-G94 PolarHBondContact O-N 3.02Å; V92-V95 PolarHBondContact O-N 3.01Å; V92-L96 HydrophobicContact CG1-CD1 3.91Å; V92-L96 HydrophobicContact CG1-CG 4.25Å; V92-L96 WeakPolarHBondContact O-CB 3.3Å; V92-L96 VanDerWaalsContact O-CG 3.29Å; V92-L96 WeakPolarHBondContact O-CG 3.12Å; V92-L96 PolarHBondContact O-N 3.38Å |
| 93 | D | 69.8 | Low | 64.7 | Low | 101 Ų | 101 | 93.2 Ų | 93.2 | 54% | 0.54 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62 | -38.4 | 175.2 | -78.9 | -14.7 | 0 | 0 | 0 | 111.7 | N89 S90 S97 | N89-D93 WeakPolarHBondContact O-CB 3.45Å; N89-D93 PolarHBondContact O-N 2.86Å; S90-D93 PolarHBondContact O-N 3.02Å; D93-S97 VanDerWaalsContact O-CB 3.27Å; D93-S97 WeakPolarHBondContact O-CB 3.33Å; D93-S97 PolarHBondContact O-N 2.94Å; D93-S97 PolarHBondContact O-OG 2.85Å |
| 94 | G | 61.9 | Low | 63.4 | Low | 34 Ų | 34 | 94 Ų | 94 | 35% | 0.351 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S90 L91 V92 S97 L98 | S90-G94 PolarHBondContact O-N 3Å; L91-G94 PolarHBondContact O-N 2.9Å; V92-G94 VanDerWaalsContact C-N 3.3Å; V92-G94 PolarHBondContact O-N 3.02Å; G94-S97 WeakPolarHBondContact O-CB 3.39Å; G94-S97 PolarHBondContact O-N 3.28Å; G94-L98 WeakPolarHBondContact O-CG 3.47Å; G94-L98 PolarHBondContact O-N 2.99Å |
| 95 | V | 63.1 | Low | 62.1 | Low | 78 Ų | 78 | 94 Ų | 94 | 47% | 0.473 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.6 | -40.8 | 177.7 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | L91 V92 S97 L98 S99 | L91-V95 WeakPolarHBondContact O-CG2 3.28Å; L91-V95 PolarHBondContact O-N 3.4Å; V92-V95 PolarHBondContact O-N 3.01Å; V95-S97 VanDerWaalsContact C-N 3.33Å; V95-L98 PolarHBondContact O-N 2.75Å; V95-S99 WeakPolarHBondContact O-CB 3.4Å; V95-S99 PolarHBondContact O-N 3.08Å; V95-S99 PolarHBondContact O-OG 3.4Å |
| 96 | L | 56 | Low | 60.6 | Low | 68 Ų | 68 | 92.9 Ų | 92.9 | 36% | 0.356 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.8 | -39.5 | 173.8 | -72.1 | 175.6 | 0 | 0 | 0 | 110.9 | V92 L98 S99 C100 | V92-L96 HydrophobicContact CG1-CD1 3.91Å; V92-L96 HydrophobicContact CG1-CG 4.25Å; V92-L96 WeakPolarHBondContact O-CB 3.3Å; V92-L96 VanDerWaalsContact O-CG 3.29Å; V92-L96 WeakPolarHBondContact O-CG 3.12Å; V92-L96 PolarHBondContact O-N 3.38Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-L98 PolarHBondContact O-N 2.96Å; L96-S99 CarbonylContact O-C 3.54Å; L96-S99 WeakPolarHBondContact O-CB 2.8Å; L96-S99 PolarHBondContact O-N 3.21Å; L96-S99 VanDerWaalsContact O-N 3.12Å; L96-C100 WeakPolarHBondContact O-CB 3.45Å; L96-C100 PolarHBondContact O-N 2.84Å; L96-C100 PolarHBondContact O-SG 3.19Å |
| 97 | S | 56.2 | Low | 59 | Low | 76 Ų | 76 | 94 Ų | 94 | 53% | 0.531 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.5 | -40.8 | 175.8 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | D93 G94 V95 S99 C100 M101 | D93-S97 VanDerWaalsContact O-CB 3.27Å; D93-S97 WeakPolarHBondContact O-CB 3.33Å; D93-S97 PolarHBondContact O-N 2.94Å; D93-S97 PolarHBondContact O-OG 2.85Å; G94-S97 WeakPolarHBondContact O-CB 3.39Å; G94-S97 PolarHBondContact O-N 3.28Å; V95-S97 VanDerWaalsContact C-N 3.33Å; S97-S99 VanDerWaalsContact C-N 3.34Å; S97-C100 PolarHBondContact O-N 3.24Å; S97-M101 PolarHBondContact O-N 3.19Å |
| 98 | L | 54.7 | Low | 57.3 | Low | 120 Ų | 120 | 94.8 Ų | 94.8 | 63% | 0.628 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66 | -36.4 | 172.5 | -68.9 | 171.2 | 0 | 0 | 0 | 111.9 | G94 V95 L96 C100 M101 | G94-L98 WeakPolarHBondContact O-CG 3.47Å; G94-L98 PolarHBondContact O-N 2.99Å; V95-L98 PolarHBondContact O-N 2.75Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-L98 PolarHBondContact O-N 2.96Å; L98-C100 VanDerWaalsContact C-N 3.28Å; L98-C100 PolarHBondContact O-N 3.11Å; L98-M101 HydrophobicContact CD2-SD 4.44Å; L98-M101 WeakPolarHBondContact O-CB 3.34Å; L98-M101 PolarHBondContact O-N 3.34Å |
| 99 | S | 53.5 | Low | 55.5 | Low | 87 Ų | 87 | 92.5 Ų | 92.5 | 61% | 0.608 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.6 | -27.3 | 175.3 | -54.6 | 0 | 0 | 0 | 0 | 112.4 | V95 L96 S97 | V95-S99 WeakPolarHBondContact O-CB 3.4Å; V95-S99 PolarHBondContact O-N 3.08Å; V95-S99 PolarHBondContact O-OG 3.4Å; L96-S99 CarbonylContact O-C 3.54Å; L96-S99 WeakPolarHBondContact O-CB 2.8Å; L96-S99 PolarHBondContact O-N 3.21Å; L96-S99 VanDerWaalsContact O-N 3.12Å; S97-S99 VanDerWaalsContact C-N 3.34Å |
| 100 | C | 47.3 | Very low | 53.8 | Low | 97 Ų | 97 | 98.4 Ų | 98.4 | 66% | 0.655 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -4.8 | 174.3 | -68.4 | 0 | 0 | 0 | 0 | 113.8 | L96 S97 L98 S102 | L96-C100 WeakPolarHBondContact O-CB 3.45Å; L96-C100 PolarHBondContact O-N 2.84Å; L96-C100 PolarHBondContact O-SG 3.19Å; S97-C100 PolarHBondContact O-N 3.24Å; L98-C100 VanDerWaalsContact C-N 3.28Å; L98-C100 PolarHBondContact O-N 3.11Å; C100-S102 PolarHBondContact O-N 3.43Å; C100-S102 PolarHBondContact O-OG 3.24Å |
| 101 | M | 45.8 | Very low | 52 | Low | 131 Ų | 131 | 98.8 Ų | 98.8 | 65% | 0.645 | 60% | 0.595 | S | S | * | * | trans | -68.4 | 73.6 | 160 | -65.1 | -165.8 | 78.4 | 0 | 0 | 107.8 | S97 L98 H103 | S97-M101 PolarHBondContact O-N 3.19Å; L98-M101 HydrophobicContact CD2-SD 4.44Å; L98-M101 WeakPolarHBondContact O-CB 3.34Å; L98-M101 PolarHBondContact O-N 3.34Å; M101-H103 VanDerWaalsContact C-N 3.34Å; M101-H103 PolarHBondContact O-N 3.47Å | ||
| 102 | S | 46.2 | Very low | 50.4 | Low | 107 Ų | 107 | 100.3 Ų | 100.3 | 75% | 0.748 | 60% | 0.603 | S | S | * | * | trans | -54.2 | 101.5 | 167.6 | 37.5 | 0 | 0 | 0 | 0 | 106.9 | C100 | C100-S102 PolarHBondContact O-N 3.43Å; C100-S102 PolarHBondContact O-OG 3.24Å | ||
| 103 | H | 49.2 | Very low | 48.7 | Very low | 127 Ų | 127 | 102 Ų | 102 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | trans | -51 | 138 | 163 | -63.7 | -72.6 | 0 | 0 | 0 | 107.6 | M101 F107 | M101-H103 VanDerWaalsContact C-N 3.34Å; M101-H103 PolarHBondContact O-N 3.47Å; H103-F107 HydrophobicContact CB-CB 3.84Å | ||
| 104 | P | 46.8 | Very low | 47.9 | Very low | 95 Ų | 95 | 106.1 Ų | 106.1 | 62% | 0.617 | 63% | 0.626 | S | S | * | * | trans | -53.5 | 140.4 | 171.8 | 23.1 | -31.5 | 0 | 0 | 0 | 108.2 | G106 F107 | P104-G106 PolarHBondContact O-N 3.17Å; P104-F107 PolarHBondContact O-N 3.12Å | ||
| 105 | P | 49.4 | Very low | 47.5 | Very low | 146 Ų | 146 | 112.1 Ų | 112.1 | 95% | 0.948 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 92.1 | 176.6 | 26 | -32.3 | 0 | 0 | 0 | 107.8 | ||
| 106 | G | 44 | Very low | 47 | Very low | 63 Ų | 63 | 112.2 Ų | 112.2 | 65% | 0.649 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 154.6 | -12.9 | -162.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | P104 V108 | P104-G106 PolarHBondContact O-N 3.17Å; G106-V108 PolarHBondContact O-N 2.86Å |
| 107 | F | 42.1 | Very low | 47 | Very low | 123 Ų | 123 | 116.7 Ų | 116.7 | 54% | 0.539 | 68% | 0.677 | S | S | . | * | trans | -72.6 | 78.4 | 165 | -165.9 | -101.3 | 0 | 0 | 0 | 109.7 | H103 P104 G109 | H103-F107 HydrophobicContact CB-CB 3.84Å; P104-F107 PolarHBondContact O-N 3.12Å; F107-G109 PolarHBondContact O-N 3.28Å | ||
| 108 | V | 39.9 | Very low | 47.3 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 72% | 0.721 | 69% | 0.693 | S | S | * | * | trans | -65.4 | 113.7 | 158.1 | -174.8 | 0 | 0 | 0 | 0 | 104.5 | G106 | G106-V108 PolarHBondContact O-N 2.86Š| ||
| 109 | G | 39.6 | Very low | 47.7 | Very low | 47 Ų | 47 | 123.1 Ų | 123.1 | 49% | 0.485 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -48.3 | 145.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F107 S111 | F107-G109 PolarHBondContact O-N 3.28Å; G109-S111 PolarHBondContact O-N 3.11Å |
| 110 | F | 38.5 | Very low | 48.4 | Very low | 190 Ų | 190 | 122.6 Ų | 122.6 | 83% | 0.833 | 68% | 0.684 | S | S | * | * | trans | 9.9 | 79.6 | 176.3 | -61.2 | -82.4 | 0 | 0 | 0 | 113.1 | I112 | F110-I112 VanDerWaalsContact C-N 3.33Å; F110-I112 PolarHBondContact O-N 3.48Å | ||
| 111 | S | 39.4 | Very low | 49.1 | Very low | 85 Ų | 85 | 122.2 Ų | 122.2 | 59% | 0.594 | 68% | 0.681 | S | S | * | * | trans | -59.5 | 110.2 | 161.4 | 48.5 | 0 | 0 | 0 | 0 | 105.2 | G109 N113 | G109-S111 PolarHBondContact O-N 3.11Å; S111-N113 PolarHBondContact O-N 3.16Å | ||
| 112 | I | 41.7 | Very low | 50.1 | Low | 152 Ų | 152 | 119.4 Ų | 119.4 | 78% | 0.779 | 67% | 0.674 | S | S | * | * | trans | -51.2 | 99.5 | 157.1 | -69.7 | 165.4 | 0 | 0 | 0 | 103.6 | F110 E114 | F110-I112 VanDerWaalsContact C-N 3.33Å; F110-I112 PolarHBondContact O-N 3.48Å; I112-E114 PolarHBondContact O-N 3.38Å; I112-E114 VanDerWaalsContact O-N 3.11Å | ||
| 113 | N | 38.6 | Very low | 51.5 | Low | 95 Ų | 95 | 120.4 Ų | 120.4 | 51% | 0.508 | 67% | 0.671 | S | S | . | * | trans | -60.5 | 114.2 | 161.8 | -70.4 | -33.3 | 0 | 0 | 0 | 103.3 | S111 D115 C116 | S111-N113 PolarHBondContact O-N 3.16Å; N113-D115 PolarHBondContact O-N 2.92Å; N113-C116 HydrophobicContact CB-CB 3.9Å; N113-C116 VanDerWaalsContact CB-SG 3.5Å; N113-C116 PolarHBondContact ND2-SG 2.9Å; N113-C116 VanDerWaalsContact ND2-SG 3.44Å; N113-C116 PolarHBondContact O-N 3.27Å | ||
| 114 | E | 51.2 | Low | 52.4 | Low | 188 Ų | 188 | 121.3 Ų | 121.3 | 88% | 0.879 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -9.4 | 176.8 | -75.4 | -170.6 | 151.7 | 0 | 0 | 112.5 | I112 | I112-E114 PolarHBondContact O-N 3.38Å; I112-E114 VanDerWaalsContact O-N 3.11Å |
| 115 | D | 54.9 | Low | 53.6 | Low | 161 Ų | 161 | 124.9 Ų | 124.9 | 86% | 0.861 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 3.3 | 175.3 | -63.4 | -37.4 | 0 | 0 | 0 | 114.3 | N113 | N113-D115 PolarHBondContact O-N 2.92Š|
| 116 | C | 51.4 | Low | 54.7 | Low | 79 Ų | 79 | 122 Ų | 122 | 53% | 0.534 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -94.7 | 123 | 171 | -73.6 | 0 | 0 | 0 | 0 | 108.3 | N113 E118 | N113-C116 HydrophobicContact CB-CB 3.9Å; N113-C116 VanDerWaalsContact CB-SG 3.5Å; N113-C116 PolarHBondContact ND2-SG 2.9Å; N113-C116 VanDerWaalsContact ND2-SG 3.44Å; N113-C116 PolarHBondContact O-N 3.27Å; C116-E118 PolarHBondContact O-N 3.47Å; C116-E118 VanDerWaalsContact O-N 3.1Å |
| 117 | D | 56 | Low | 56.2 | Low | 163 Ų | 163 | 122 Ų | 122 | 87% | 0.872 | 65% | 0.645 | S | S | * | * | trans | -37.7 | 120.1 | 175.5 | -65 | -53.2 | 0 | 0 | 0 | 109.8 | F119 | D117-F119 PolarHBondContact O-N 3.29Å; D117-F119 VanDerWaalsContact O-N 3.09Å | ||
| 118 | E | 62.4 | Low | 57.7 | Low | 184 Ų | 184 | 122.2 Ų | 122.2 | 86% | 0.86 | 65% | 0.652 | S | S | * | * | trans | -46 | 121.5 | 176.4 | -177.6 | 171.8 | -174.9 | 0 | 0 | 107.6 | C116 D120 | C116-E118 PolarHBondContact O-N 3.47Å; C116-E118 VanDerWaalsContact O-N 3.1Å; E118-D120 PolarHBondContact O-N 2.94Å | ||
| 119 | F | 63.7 | Low | 59.4 | Low | 147 Ų | 147 | 120.3 Ų | 120.3 | 65% | 0.645 | 64% | 0.644 | S | S | * | * | trans | -57 | 101.8 | 178.6 | 173.5 | -93 | 0 | 0 | 0 | 108 | D117 P121 F124 | D117-F119 PolarHBondContact O-N 3.29Å; D117-F119 VanDerWaalsContact O-N 3.09Å; F119-P121 HydrophobicContact CE1-CB 4.36Å; F119-P121 VanDerWaalsContact O-CD 3.28Å; F119-P121 WeakPolarHBondContact O-CD 3.49Å; F119-F124 HydrophobicContact CD2-CE2 4.42Å; F119-F124 HydrophobicContact CE2-CD2 4.12Å; F119-F124 AromaticContact CE2-CE2 3.34Å; F119-F124 HydrophobicContact CE2-CE2 3.34Å; F119-F124 HydrophobicContact CE2-CZ 4.09Å; F119-F124 AromaticContact CZ-CD2 3.9Å; F119-F124 HydrophobicContact CZ-CD2 3.9Å; F119-F124 AromaticContact CZ-CE2 3.54Å; F119-F124 HydrophobicContact CZ-CE2 3.54Å; F119-F124 HydrophobicContact CZ-CZ 4.38Å | ||
| 120 | D | 67.4 | Low | 60.7 | Low | 75 Ų | 75 | 123.4 Ų | 123.4 | 40% | 0.401 | 65% | 0.646 | S | S | . | * | trans | -88 | 111.8 | 176.5 | -170.8 | -6.9 | 0 | 0 | 0 | 107.5 | E118 S122 D123 | E118-D120 PolarHBondContact O-N 2.94Å; D120-S122 PolarHBondContact O-N 3.05Å; D120-S122 WeakPolarHBondContact OD1-CB 3.43Å; D120-S122 PolarHBondContact OD1-N 3.5Å; D120-S122 PolarHBondContact OD1-OG 3.12Å; D120-S122 PolarHBondContact OD2-OG 3.16Å; D120-D123 VanDerWaalsContact O-CB 3.32Å; D120-D123 WeakPolarHBondContact O-CB 3.37Å; D120-D123 PolarHBondContact O-N 3.27Å | ||
| 121 | P | 62.2 | Low | 62.1 | Low | 90 Ų | 90 | 119 Ų | 119 | 58% | 0.584 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -59.8 | -14.1 | 173.8 | 25.7 | -34 | 0 | 0 | 0 | 112.6 | F119 D123 F124 | F119-P121 HydrophobicContact CE1-CB 4.36Å; F119-P121 VanDerWaalsContact O-CD 3.28Å; F119-P121 WeakPolarHBondContact O-CD 3.49Å; P121-D123 PolarHBondContact O-N 3.46Å; P121-F124 PolarHBondContact O-N 3.03Å; P121-F124 VanDerWaalsContact O-N 3.16Å |
| 122 | S | 67.3 | Low | 63.3 | Low | 72 Ų | 72 | 120 Ų | 120 | 50% | 0.503 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -64.8 | -21.3 | 170.7 | 89.2 | 0 | 0 | 0 | 0 | 113.4 | D120 F124 E125 | D120-S122 PolarHBondContact O-N 3.05Å; D120-S122 WeakPolarHBondContact OD1-CB 3.43Å; D120-S122 PolarHBondContact OD1-N 3.5Å; D120-S122 PolarHBondContact OD1-OG 3.12Å; D120-S122 PolarHBondContact OD2-OG 3.16Å; S122-F124 PolarHBondContact O-N 2.99Å; S122-E125 PolarHBondContact O-N 3.49Å |
| 123 | D | 74.7 | Confident | 64.7 | Low | 128 Ų | 128 | 117 Ų | 117 | 68% | 0.684 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -65.9 | -22.7 | 172.4 | -71.5 | -20.4 | 0 | 0 | 0 | 112.4 | D120 P121 E125 | D120-D123 VanDerWaalsContact O-CB 3.32Å; D120-D123 WeakPolarHBondContact O-CB 3.37Å; D120-D123 PolarHBondContact O-N 3.27Å; P121-D123 PolarHBondContact O-N 3.46Å; D123-E125 VanDerWaalsContact C-N 3.25Å; D123-E125 PolarHBondContact O-N 3.1Å |
| 124 | F | 69.3 | Low | 66.1 | Low | 146 Ų | 146 | 117.7 Ų | 117.7 | 64% | 0.64 | 62% | 0.616 | S | S | * | * | trans | -92.7 | 50.2 | 173.6 | -69.6 | -96.2 | 0 | 0 | 0 | 110.5 | F119 P121 S122 I126 | F119-F124 HydrophobicContact CD2-CE2 4.42Å; F119-F124 HydrophobicContact CE2-CD2 4.12Å; F119-F124 AromaticContact CE2-CE2 3.34Å; F119-F124 HydrophobicContact CE2-CE2 3.34Å; F119-F124 HydrophobicContact CE2-CZ 4.09Å; F119-F124 AromaticContact CZ-CD2 3.9Å; F119-F124 HydrophobicContact CZ-CD2 3.9Å; F119-F124 AromaticContact CZ-CE2 3.54Å; F119-F124 HydrophobicContact CZ-CE2 3.54Å; F119-F124 HydrophobicContact CZ-CZ 4.38Å; P121-F124 PolarHBondContact O-N 3.03Å; P121-F124 VanDerWaalsContact O-N 3.16Å; S122-F124 PolarHBondContact O-N 2.99Å; F124-I126 PolarHBondContact O-N 3.22Å | ||
| 125 | E | 72.4 | Confident | 66.7 | Low | 170 Ų | 170 | 114 Ų | 114 | 79% | 0.794 | 60% | 0.598 | S | S | * | * | trans | -70.3 | 101.1 | 166.4 | -165.4 | 168.8 | -150.4 | 0 | 0 | 108.3 | S122 D123 P127 | S122-E125 PolarHBondContact O-N 3.49Å; D123-E125 VanDerWaalsContact C-N 3.25Å; D123-E125 PolarHBondContact O-N 3.1Å; E125-P127 VanDerWaalsContact O-CD 3.3Å; E125-P127 WeakPolarHBondContact O-CD 3.48Å | ||
| 126 | I | 71.7 | Confident | 66.9 | Low | 86 Ų | 86 | 110 Ų | 110 | 44% | 0.441 | 58% | 0.582 | S | S | . | * | trans | -65.9 | 118.9 | 172 | -59.3 | 175.5 | 0 | 0 | 0 | 106.6 | F124 D128 E130 F131 M134 | F124-I126 PolarHBondContact O-N 3.22Å; I126-D128 PolarHBondContact O-N 3Å; I126-E130 HydrophobicContact CG2-CB 3.73Å; I126-F131 HydrophobicContact CG2-CB 4.33Å; I126-M134 HydrophobicContact CD1-CE 4.35Å; I126-M134 HydrophobicContact CG2-CE 4.22Å | ||
| 127 | P | 75.8 | Confident | 67.1 | Low | 61 Ų | 61 | 111.5 Ų | 111.5 | 40% | 0.396 | 59% | 0.592 | S | S | . | * | trans | -56 | 138.5 | 177.6 | -21.5 | 31.4 | 0 | 0 | 0 | 109.9 | E125 S129 E130 F131 | E125-P127 VanDerWaalsContact O-CD 3.3Å; E125-P127 WeakPolarHBondContact O-CD 3.48Å; P127-S129 PolarHBondContact O-N 3Å; P127-E130 PolarHBondContact O-N 3.47Å; P127-F131 PolarHBondContact O-N 3.15Å; P127-F131 VanDerWaalsContact O-N 3.15Å | ||
| 128 | D | 73.5 | Confident | 66.9 | Low | 128 Ų | 128 | 110.4 Ų | 110.4 | 68% | 0.684 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -51.4 | -27.5 | 178.8 | -77.3 | -24.4 | 0 | 0 | 0 | 112.6 | I126 N132 | I126-D128 PolarHBondContact O-N 3Å; D128-N132 VanDerWaalsContact O-CB 3.23Å; D128-N132 WeakPolarHBondContact O-CB 3.46Å; D128-N132 PolarHBondContact O-N 3.34Å; D128-N132 PolarHBondContact O-ND2 3.04Å |
| 129 | S | 75.1 | Confident | 66.2 | Low | 79 Ų | 79 | 107.8 Ų | 107.8 | 55% | 0.552 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.1 | -40.1 | 173.7 | 53.7 | 0 | 0 | 0 | 0 | 113.6 | P127 T133 | P127-S129 PolarHBondContact O-N 3Å; S129-T133 WeakPolarHBondContact O-CB 3.4Å; S129-T133 PolarHBondContact O-N 3.41Å; S129-T133 VanDerWaalsContact O-N 3.14Å; S129-T133 PolarHBondContact O-OG1 3.32Å |
| 130 | E | 67.3 | Low | 66.3 | Low | 113 Ų | 113 | 105.8 Ų | 105.8 | 53% | 0.528 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -76.7 | -39.5 | 178.3 | -69.8 | -178.9 | -161.7 | 0 | 0 | 110.9 | I126 P127 T133 M134 | I126-E130 HydrophobicContact CG2-CB 3.73Å; P127-E130 PolarHBondContact O-N 3.47Å; E130-T133 PolarHBondContact O-N 2.96Å; E130-M134 PolarHBondContact O-N 3.5Å |
| 131 | F | 67.6 | Low | 66.3 | Low | 98 Ų | 98 | 107.4 Ų | 107.4 | 43% | 0.43 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -60.4 | -49.1 | 174.3 | -170.4 | -92.4 | 0 | 0 | 0 | 111.1 | I126 P127 T133 M134 F135 | I126-F131 HydrophobicContact CG2-CB 4.33Å; P127-F131 PolarHBondContact O-N 3.15Å; P127-F131 VanDerWaalsContact O-N 3.15Å; F131-T133 VanDerWaalsContact C-N 3.27Å; F131-T133 PolarHBondContact O-N 3.39Å; F131-M134 HydrophobicContact CD2-CE 4.46Å; F131-M134 PolarHBondContact O-N 2.92Å; F131-F135 AromaticContact CD1-CD2 3.99Å; F131-F135 HydrophobicContact CD1-CD2 3.99Å; F131-F135 HydrophobicContact CD1-CE2 4.3Å; F131-F135 HydrophobicContact CD2-CD2 4.39Å; F131-F135 HydrophobicContact CD2-CE2 4.02Å; F131-F135 AromaticContact CE1-CD2 3.66Å; F131-F135 HydrophobicContact CE1-CD2 3.66Å; F131-F135 AromaticContact CE1-CE2 3.77Å; F131-F135 HydrophobicContact CE1-CE2 3.77Å; F131-F135 HydrophobicContact CE2-CD2 4.11Å; F131-F135 AromaticContact CE2-CE2 3.45Å; F131-F135 HydrophobicContact CE2-CE2 3.45Å; F131-F135 VanDerWaalsContact CE2-CE2 3.45Å; F131-F135 HydrophobicContact CE2-CZ 4.35Å; F131-F135 HydrophobicContact CG-CD2 4.34Å; F131-F135 HydrophobicContact CG-CE2 4.42Å; F131-F135 AromaticContact CZ-CD2 3.73Å; F131-F135 HydrophobicContact CZ-CD2 3.73Å; F131-F135 AromaticContact CZ-CE2 3.3Å; F131-F135 HydrophobicContact CZ-CE2 3.3Å; F131-F135 HydrophobicContact CZ-CZ 4.1Å; F131-F135 WeakPolarHBondContact O-CD2 3.33Å; F131-F135 PolarHBondContact O-N 3.25Å |
| 132 | N | 66 | Low | 66.5 | Low | 104 Ų | 104 | 108.4 Ų | 108.4 | 56% | 0.556 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.6 | -33.9 | 177.4 | -74 | -39.9 | 0 | 0 | 0 | 112.4 | D128 F135 S136 | D128-N132 VanDerWaalsContact O-CB 3.23Å; D128-N132 WeakPolarHBondContact O-CB 3.46Å; D128-N132 PolarHBondContact O-N 3.34Å; D128-N132 PolarHBondContact O-ND2 3.04Å; N132-F135 PolarHBondContact O-N 2.86Å; N132-S136 VanDerWaalsContact O-CB 3.26Å; N132-S136 WeakPolarHBondContact O-CB 3.15Å; N132-S136 PolarHBondContact O-N 3.22Å |
| 133 | T | 70.1 | Confident | 66.4 | Low | 91 Ų | 91 | 110.5 Ų | 110.5 | 56% | 0.558 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.1 | -43.9 | 175.8 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | S129 E130 F131 F135 S136 | S129-T133 WeakPolarHBondContact O-CB 3.4Å; S129-T133 PolarHBondContact O-N 3.41Å; S129-T133 VanDerWaalsContact O-N 3.14Å; S129-T133 PolarHBondContact O-OG1 3.32Å; E130-T133 PolarHBondContact O-N 2.96Å; F131-T133 VanDerWaalsContact C-N 3.27Å; F131-T133 PolarHBondContact O-N 3.39Å; T133-F135 VanDerWaalsContact C-N 3.28Å; T133-F135 PolarHBondContact O-N 2.75Å; T133-S136 PolarHBondContact O-N 3Å; T133-S136 PolarHBondContact O-OG 2.86Å |
| 134 | M | 67.3 | Low | 65.9 | Low | 109 Ų | 109 | 109.4 Ų | 109.4 | 54% | 0.537 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62 | -34.3 | 178.6 | -71.9 | -173 | -73.3 | 0 | 0 | 113.1 | I126 E130 F131 | I126-M134 HydrophobicContact CD1-CE 4.35Å; I126-M134 HydrophobicContact CG2-CE 4.22Å; E130-M134 PolarHBondContact O-N 3.5Å; F131-M134 HydrophobicContact CD2-CE 4.46Å; F131-M134 PolarHBondContact O-N 2.92Å |
| 135 | F | 64.5 | Low | 65.7 | Low | 111 Ų | 111 | 107 Ų | 107 | 49% | 0.487 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -94 | -9.7 | 178.8 | -70.3 | -82.2 | 0 | 0 | 0 | 114.6 | F131 N132 T133 C137 L138 | F131-F135 AromaticContact CD1-CD2 3.99Å; F131-F135 HydrophobicContact CD1-CD2 3.99Å; F131-F135 HydrophobicContact CD1-CE2 4.3Å; F131-F135 HydrophobicContact CD2-CD2 4.39Å; F131-F135 HydrophobicContact CD2-CE2 4.02Å; F131-F135 AromaticContact CE1-CD2 3.66Å; F131-F135 HydrophobicContact CE1-CD2 3.66Å; F131-F135 AromaticContact CE1-CE2 3.77Å; F131-F135 HydrophobicContact CE1-CE2 3.77Å; F131-F135 HydrophobicContact CE2-CD2 4.11Å; F131-F135 AromaticContact CE2-CE2 3.45Å; F131-F135 HydrophobicContact CE2-CE2 3.45Å; F131-F135 VanDerWaalsContact CE2-CE2 3.45Å; F131-F135 HydrophobicContact CE2-CZ 4.35Å; F131-F135 HydrophobicContact CG-CD2 4.34Å; F131-F135 HydrophobicContact CG-CE2 4.42Å; F131-F135 AromaticContact CZ-CD2 3.73Å; F131-F135 HydrophobicContact CZ-CD2 3.73Å; F131-F135 AromaticContact CZ-CE2 3.3Å; F131-F135 HydrophobicContact CZ-CE2 3.3Å; F131-F135 HydrophobicContact CZ-CZ 4.1Å; F131-F135 WeakPolarHBondContact O-CD2 3.33Å; F131-F135 PolarHBondContact O-N 3.25Å; N132-F135 PolarHBondContact O-N 2.86Å; T133-F135 VanDerWaalsContact C-N 3.28Å; T133-F135 PolarHBondContact O-N 2.75Å; F135-C137 PolarHBondContact O-N 2.9Å; F135-L138 HydrophobicContact CD1-CD1 3.67Å; F135-L138 HydrophobicContact CE1-CD1 4.16Å; F135-L138 PolarHBondContact O-N 3.48Å |
| 136 | S | 60 | Low | 65.2 | Low | 76 Ų | 76 | 102.5 Ų | 102.5 | 53% | 0.531 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.7 | -22.4 | 176.2 | 65.3 | 0 | 0 | 0 | 0 | 113.6 | N132 T133 L138 | N132-S136 VanDerWaalsContact O-CB 3.26Å; N132-S136 WeakPolarHBondContact O-CB 3.15Å; N132-S136 PolarHBondContact O-N 3.22Å; T133-S136 PolarHBondContact O-N 3Å; T133-S136 PolarHBondContact O-OG 2.86Å; S136-L138 VanDerWaalsContact C-N 3.27Å; S136-L138 PolarHBondContact O-N 3.42Å |
| 137 | C | 55.9 | Low | 64.7 | Low | 110 Ų | 110 | 103.8 Ų | 103.8 | 74% | 0.743 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | 1.3 | 176 | -61.6 | 0 | 0 | 0 | 0 | 114.1 | F135 | F135-C137 PolarHBondContact O-N 2.9Š|
| 138 | L | 51.3 | Low | 63.8 | Low | 140 Ų | 140 | 107.3 Ų | 107.3 | 73% | 0.733 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 4.4 | -179.9 | -80.4 | 158.8 | 0 | 0 | 0 | 113.7 | F135 S136 | F135-L138 HydrophobicContact CD1-CD1 3.67Å; F135-L138 HydrophobicContact CE1-CD1 4.16Å; F135-L138 PolarHBondContact O-N 3.48Å; S136-L138 VanDerWaalsContact C-N 3.27Å; S136-L138 PolarHBondContact O-N 3.42Å |
| 139 | G | 47 | Very low | 62.9 | Low | 129 Ų | 129 | 105.5 Ų | 105.5 | 100% | 1.33 | 64% | 0.635 | S | S | * | * | trans | -112.3 | 0 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 139 of 139 residues in 475.2 ms
(Link to these results)